Drug_ID	Drug_Name	PubChem_CID	Synonymous	Drug_Status	Drug_Status_num	Highest_phase_class	Highest_phase	Drug_Type	NSC_Number	ChEBI_ID	DrugBank_ID	VARIDT_ID	INTEDE_ID	Molecular_Weight	Formula	Polararea	Complexity	xlogp	Heavycnt	Hbonddonor	Hbondacc	Rotbonds	InChI	isosmiles	InChIKey
DG00001	Triclosan	5564	"Triclosan; 3380-34-5; 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL; 2,4,4'-Trichloro-2'-hydroxydiphenyl ether; Irgasan; Cloxifenolum; Triclosanum; Irgasan DP300; Stri-Dex Face Wash; Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-; Lexol 300; Stri-Dex Cleansing Bar; 5-Chloro-2-(2,4-dichloro-phenoxy)-phenol; Triclosanum [INN-Latin]; CH 3565; DP-300; Caswell No 186A; C12H7Cl3O2; UNII-4NM5039Y5X; HSDB 7194; CHEBI:164200; Ether, 2'-hydroxy-2,4,4'-trichlorodiphenyl; Phenyl ether, 2'-hydroxy-2,4,4'-trichloro-; EINECS 222-182-2; CHEMBL849; EPA; Aquasept; Cliniclean; Cloxifenol; Manusept; Sapoderm; TCL; Trisan; Clearasil DailyFace Wash; Dermtek Brand of Triclosan; GlaxoSmithKline Brand of Triclosan; Microshield T; Oxy Skin Wash; Pharmachem Brand of Triclosan; Reckitt Brand of Triclosan; SSL Brand of Triclosan; Ster Zac Bath Concentrate; SterZac Bath Concentrate; Trans Canaderm Brand of Triclosan; Triclosan Pharmachem Brand; Triclosan Reckitt Brand; IN1424; Irgasan DP 300; CH-3565; Johnson & Johnson Brand of Triclosan; Procter & Gamble Brand of Triclosan; Ster-Zac Bath Concentrate; Stri-Dex cleansing bar (TN); Triclosan (USP/INN); Triclosan [USAN:BAN:INN]; 2,4,4'-Trichloro-2'-hydroxy diphenyl ether; 2-Hydroxy-2',4,4'-trichlorodiphenyl Ether; WL-1001"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:164200	DB08604	.	.	289.5	C12H7Cl3O2	29.5	252	5	17	1	2	2	"1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H"	C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl	XEFQLINVKFYRCS-UHFFFAOYSA-N
DG00002	Melphalan	460612	"Alkeran; Levofalan; Levofolan; Levopholan; Melfalan; Melfalano; Melphalanum; Alanine Nitrogen Mustard; Phenylalanine mustard; Phenylalanine nitrogen mu stard; Phenylalanine nitrogen mustard; AY3360000; CB 3025; ALKERAN (TN); Alkeran (TN); At-290; CB-3025; L-PAM; L-Phenylalanine mustard; L-Sarcolysin; L-Sarcolysine; L-Sarkolysin; Melfalano [INN-Spanish]; Melphalanum [INN-Latin]; SK-15673; TRANSGENIC MODEL EVALUATION (MELPHALAN); MELPHALAN (SEE ALSO TRANSGENIC MODEL EVALUATION (MELPHALAN)); P-L-Sarcolysin; P-L-sarcolysine; TRANSGENIC LEP (MELPHALAN) (SEE ALSO MELPHALAN); Melphalan (JP15/USP/INN); Melphalan [USAN:INN:BAN:JAN]; P-Bis(beta-chloroethyl)aminophenylalanine; P-N-Di(chloroethyl)aminophenylalanine; P-N-di(chloroethyl)aminophenylala nine; P-Di-(2-chloroethyl)amino-L-phenylalanine; P-N-Bis(2-chloroethyl)amino-L-phenylalanine; L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; L-3-(para-(Bis(2-chloroethyl)amino)phenyl)alanine; P-N,N-bis(2-chloroethyl)amino-L-phenylalanine; (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid; (2s)-2-amino-3-(4-[bis(2-chloroethyl)amino]phenyl)propanoic acid; 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine; 3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine; 3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine; 4-(Bis(2-chloroethyl)amino)-L-phenylalanine; 4-[Bis(2-chloroethyl)amino]-L-phenylalanine; 4-[Bis-(2-chloroethyl)amino]-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28876	DB01042	DR00379	DR1021	305.2	C13H18Cl2N2O2	66.6	265	-0.5	19	2	4	8	"1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1"	C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl	SGDBTWWWUNNDEQ-LBPRGKRZSA-N
DG00003	Capecitabine	60953	"Capecitabin; Capecitabina; Capecitabinum; Capecitibine; Capiibine; Caxeta; Xabine; Xeloda; Capecitabine [USAN]; R340;R-340; RG-340; Ro 09-1978; Xeloda (TN); Ro 09-1978/000; Ro-09-1978; Xeloda, Captabin, Capecitabine; Capecitabine (JAN/USAN/INN); Ro-09-1978/000; N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine; Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate; Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate; Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester; Pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate; (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine; 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Capecitabine (Fluoropyrimidine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31348	DB01101	DR00380	DR0266	359.35	C15H22FN3O6	121	582	0.6	25	3	7	7	"1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1"	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O	GAGWJHPBXLXJQN-UORFTKCHSA-N
DG00004	Mezlocillin	656511	"Mezlin; Mezlocilina; Mezlocillinum; Mezlocillin (USAN/INN); (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid; 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6919	DB00948	.	.	539.6	C21H25N5O8S2	207	1080	-0.2	36	3	9	6	"1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C	YPBATNHYBCGSSN-VWPFQQQWSA-N
DG00005	Benzylpenicillin	5904	Penicillin g; Benzylpenicillinic acid; Free penicillin II; Pencillin G; 61-33-6; Benzylpenicillin G; Bencilpenicilina; Benzylpenicillinum; Benzyl penicillin; Free penicillin G; Dropcillin; Pharmacillin; Gelacillin; Liquacillin; Benzopenicillin; Cilopen; Pradupen; Benzylpenicilline; Specilline G; Cilloral; Cosmopen; Ursopen; Galofak; Free benzylpenicillin; Compocillin G; Phenylacetamidopenicillanic acid; 6-(2-Phenylacetamido)penicillanic acid; Pfizerpen; Benzyl-6-aminopenicillinic acid	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:18208	DB01053	DR00488	DR2164	334.4	C16H18N2O4S	112	530	1.8	23	2	5	4	"1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	JGSARLDLIJGVTE-MBNYWOFBSA-N
DG00006	Apigenin	5280443	"Apigenin; 520-36-5; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Chamomile; Versulin; Spigenin; Apigenol; 4',5,7-Trihydroxyflavone; Apigenine; C.I. Natural Yellow 1; 5,7,4'-Trihydroxyflavone; Pelargidenon 1449; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; UCCF 031; NSC 83244; UNII-7V515PI7F6; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CCRIS 3789; CHEBI:18388; CHEMBL28; EINECS 208-292-3; 4H-1-Benzopyran-4-one, 5,7-di"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:18388	DB07352	DR00822	.	270.24	C15H10O5	87	411	1.7	20	3	5	1	"1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H"	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O	KZNIFHPLKGYRTM-UHFFFAOYSA-N
DG00007	Nilotinib	644241	"NIL; Nilotinibum; Tasigna (Novartis); Nilotinib (INN/USAN); Nilotinib, AMN107, Tasigna; Tasigna, AMN-107, Nilotinib; L-1-yl)-3-(trifluoromethyl)phenyl]benzamide; Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-(9CI); 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazo; 4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide; 4-Methyl-N-[3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl]-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzamide; 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; Nilotinib (BCR-ABL inhibitor 2nd gen)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52172	DB04868	DR00013	.	529.5	C28H22F3N7O	97.6	817	4.9	39	2	9	6	"1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)"	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	HHZIURLSWUIHRB-UHFFFAOYSA-N
DG00008	Adefovir	60172	"ADEFOVIR; 106941-25-7; PMEA; ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid; 9-(2-Phosphonylmethoxyethyl)adenine; GS-0393; GS 0393; GS 393; 9-(2-(Phosphonomethoxy)ethyl)adenine; N-(2-Phosphonylmethoxyethyl)adenine; DRG-0156; UNII-6GQP90I798; C8H12N5O4P; HSDB 8079; CHEMBL484; 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; BRN 3561094; {[2-(6-Amino-9h-Purin-9-Yl)ethoxy]methyl}phosphonic Acid; N-(2-Phophonomethoxyethyl-2,6-diaminopurine); Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-; 6GQP90I798"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2469	DB13868	DR00015	.	273.19	C8H12N5O4P	136	327	-2	18	3	8	5	"1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)"	C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N	SUPKOOSCJHTBAH-UHFFFAOYSA-N
DG00009	Pulvomycin	5282056	Pulvomycin; AC1NQZFA; C12070; 11006-66-9; CHEBI:29668	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:29668	.	.	.	839	C47H66O13	199	1700	5	60	5	13	13	"1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32 ,33 ,34 ,35-,37 ,38 ,39 ,40 ,43 ,44+,45+,46-,47-/m1/s1"	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(C)C(/C=C/C=C/C=C/C(=O)C(C)C(C(C)C2C/C=C/C=C/C=C/C(C(=O)/C(=C/C=C/C(=C/C(/C(=C\\CC(=O)O2)/C)O)/C)/C)O)O)O)OC)O)OC	FXSFWUNCIOIMAC-YHQXOMPPSA-N
DG00010	Baicalein	5281605	"Baicalein; 491-67-8; 5,6,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; Noroxylin; Biacalein; BaiKalein; Baicelein; UNII-49QAH60606; NSC661431; NSC 661431; CHEMBL8260; 5,6,7-trihydroxy-2-phenylchromen-4-one; CHEBI:2979; FXNFHKRTJBSTCS-UHFFFAOYSA-N; MFCD00017459; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-; 49QAH60606; 5,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; Sho-saiko-to; SMR000112462; SR-01000597499; Baicalein, 8; Baicalein,(S); 3WL; Baicalein, 14; Baicalein, 98%; AC1NQYPP; Tocris-1761"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2979	DB16101	.	.	270.24	C15H10O5	87	413	1.7	20	3	5	1	"1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O	FXNFHKRTJBSTCS-UHFFFAOYSA-N
DG00011	Dolutegravir	54726191	"1051375-16-6; GSK1349572; Tivicay; S/GSK1349572; Dolutegravir (GSK1349572); S-349572; GSK-1349572; GSK 1349572; UNII-DKO1W9H7M1; (4r,12as)-N-(2,4-Difluorobenzyl)-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,6,8,12,12a-Hexahydro-2h-Pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-Carboxamide; CHEBI:76010; DKO1W9H7M1; Tivicay (TN); (4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide; Dolutegravir Sodium ("	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76010	DB08930	DR00383	.	419.4	C20H19F2N3O5	99.2	829	2.4	30	2	8	3	"1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1"	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	RHWKPHLQXYSBKR-BMIGLBTASA-N
DG00012	Caspofungin	2826718	"CASPO; Cancidas; Capsofungin; Caspofungin [INN]; M991; Cancidas (TM); Cancidas (TN); Caspofungin (INN); MK-0991; L-743,872; [1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate; Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-(9CI); (4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474180	DB00520	DR00493	.	1093.3	C52H88N10O15	412	1900	0.3	77	16	18	23	"1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28 ,29 ,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1"	CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O	JYIKNQVWKBUSNH-OGZDCFRISA-N
DG00013	Terbinafine	1549008	"Bramazil; Lamasil; TerbiFoam; Terbina; Lamisil AT; Lamisil Tablet; Ternbinafine HCl; Lamasil (TN); Lamisil (TN); SF 86-327; Terbisil (TN); Zabel (TN); SF-86-327; Terbinafine (USAN/INN); Terbinafine [USAN:BAN:INN]; Lamisil, Terbinex, Corbinal, Zabel, Terbinafine; Terbinafine, SF-86-327, Lamisil, TBNF; (2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine; (2E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamine; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine; (E)-N-(6,6-dimethyl-2-heptenynyl)-N-methyl-1-naphthalenementhamin hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9448	DB00857	.	.	291.4	C21H25N	3.2	428	5.6	22	0	1	5	"1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+"	CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21	DOMXUEMWDBAQBQ-WEVVVXLNSA-N
DG00014	Ginsenoside Rg3	9918693	(20S)-ginsenoside Rg3	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:67991	.	.	DR2671	785	C42H72O13	219	1370	4	55	9	13	10	"1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1"	CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C	RWXIFXNRCLMQCD-JBVRGBGGSA-N
DG00015	Teniposide	452548	"PTG; Teniposido; Teniposidum; Vehem; Vumon; Demethyl Epipodophyllotoxin Thenylidine Glucoside; VM 26; Teniposido [INN-Spanish]; Teniposidum [INN-Latin]; VM-26; Vee M-26; Veham-Sandoz; Vumon (TN); Teniposide (USAN/INN); Teniposide [USAN:BAN:INN]; VM-26 (TN); Vumon, VM-26, Vehem, NSC 122819, Teniposide; Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside); 4'-Demethyl-epipodophyllotoxin-beta-D-thenylidene-glucoside; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-2-thenylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin thenylidene glucoside; 4'-Demethylepipodophyllotoxin-beta-D-thenylidine glucoside; 4'-Dimethyl-9-(4,6-O-2-thenyid)-epipodophyllotoxin; 4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00444	DR00021	DR1550	656.7	C32H32O13S	189	1090	1.2	46	3	14	6	"1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O	NRUKOCRGYNPUPR-QBPJDGROSA-N
DG00016	Cephapirin	30699	"CEPR; Cefa; Cefadyl; Cefapirin; Cefapirina; Cefapirine; Cefapirinum; Cefaprin; Cephapirine; Metricure; CEPHAPIRIN SODIUM; Cefaprinsodium; Cephapirin Monosodium Salt; ANTIBIOTIC BL-P1322; BL-P 1322; Cefa-ak; Cefadyl (TN); Cefapirin (BAN); Cefapirin [INN:BAN]; Cefapirina [INN-Spanish]; Cefapirine [INN-French]; Cefapirinum [INN-Latin]; Metricure (TN); (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylthio)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-acetoxymethyl-7-[(pyridin-4-ylsulfanyl)acetamido]-3,4-didehydrocepham-4-carboxylic acid; 3-(Hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamidol-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure acetat; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-, acetate (ester); 7-(2-(4-Pyridylthio)acetamido)cephalosporanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:554446	DB01139	DR00495	.	423.5	C17H17N3O6S2	177	707	-1.1	28	2	9	8	"1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O	UQLLWWBDSUHNEB-CZUORRHYSA-N
DG00017	Vinorelbine	5311497	"Eunades; Exelbine; NVB; Navelbine; Vinorelbin; Vinorelbina; Vinorelbinum; Navelbine base; Vinorelbina [Spanish]; Vinorelbine Ditartarate; Vinorelbine ditartrate; Vinorelbine tartrate; Vinorelbinum [Latin]; KW 2307; KW 2307 base; ANX-530; KW-2307; Navelbine (TN); SDP-012; Vinorelbine (INN); Vinorelbine [INN:BAN]; Aspidospermidine-3-carboxylic acid; Nor-5'-anhydrovinblastine; Methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate; Methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:480999	DB00361	DR01343	.	778.9	C45H54N4O8	134	1690	3.6	57	2	11	10	"1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1"	CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-IELIFDKJSA-N
DG00018	Raltitrexed	135400182	"Tomudex; 112887-68-0; ZD1694; ZD-1694; ICI-D1694; D-1694; ZD 1694; ICI D1694; UNII-FCB9EGG971; D1694; D 1694; CHEBI:5847; Raltitrexed (Tomudex); C21H22N4O6S; ZD-16; (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid; FCB9EGG971; CHEMBL225071; N-(5-(N-(3,4-Dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino)-2-thenoyl)-L-glutamic acid; ICI-D-1694; NSC-639186; NCGC00229704-01; DSSTox_RID_81653; DSSTox_CID_26482; DSSTox_GSID_46482"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5847	DB00293	DR00958	.	458.5	C21H22N4O6S	177	790	1.4	32	4	9	9	"1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1"	CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1	IVTVGDXNLFLDRM-HNNXBMFYSA-N
DG00019	Fexofenadine	3348	"Carboxyterfenadine; Fexofendine; Terfenadine acid metabolite; Terfenadine carboxylate; F 9427; MDL 16455; Allegra (TN); Fastofen (TN); Fexofenadine (INN); Fexofenadine [INN:BAN]; Telfast (TN); Terfenadine-COOH; Terfenidine carboxylate, MDL 16455; Tilfur (TN); 2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid; 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid; 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5050	DB00950	DR00026	.	501.7	C32H39NO4	81	678	3	37	3	5	10	"1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)"	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O	RWTNPBWLLIMQHL-UHFFFAOYSA-N
DG00020	Carmustine	2578	"Carmustine; carmustine; 154-93-8; 1,3-Bis(2-chloroethyl)-1-nitrosourea; BCNU; Carmustin; Nitrumon; Carmubris; Gliadel; BiCNU; Bi CNU; Carmustinum; Bischlorethylnitrosurea; Bischlorethylnitrosourea; Carmustina; Becenun; Becenum; Bischloroethyl nitrosourea; N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA; Bis(2-chloroethyl)nitrosourea; Urea, N,N'-bis(2-chloroethyl)-N-nitroso-; Gliadel Wafer; FDA 0345; Bischloroethylnitrosourea; SRI 1720; 1,3-Bis(2-chloroethyl)nitrosourea; BiCNU (TN); Carmustinum [INN-Latin]; Carmustina [INN-Spanish]; DTI 015; NCI-C04773; SK; BCNU; Injectable carmustine, Direct Therapeutics"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3423	DB00262	.	DR0278	214.05	C5H9Cl2N3O2	61.8	156	1.5	12	1	3	4	"1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)"	C(CCl)NC(=O)N(CCCl)N=O	DLGOEMSEDOSKAD-UHFFFAOYSA-N
DG00021	Cefalotin	6024	"Cefalothin; Cefalotina; Cefalotine; Cefalotinum; Cemastin; Cephalothinum; Cephalotin; Coaxin; Cefalotina fabra; Cephalothin Monosodium Salt; Averon-1; Cefalotin (BAN); Cefalotina [INN-Spanish]; Cefalotina fabra (TN); Cefalotine [INN-French]; Cefalotinum [INN-Latin]; Keflin (TN); (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-(Acetoxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 3-(Hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate; 3-ACETOXYMETHYL-8-OXO-7-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID; 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-, acetate (ester); 6R-trans-3-((Acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid; 7-(2-(2-Thienyl)acetylamido)cephalosporanic acid; 7-(2-Thienylacetamido)cephalosporanic acid; 7-(Thiophene-2-acetamido)cephalosporanic acid; 7-(Thiophene-2-acetamido)cephalosporin; 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:124991	DB00456	.	DR2178	396.4	C16H16N2O6S2	167	680	-0.4	26	2	8	7	"1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O	XIURVHNZVLADCM-IUODEOHRSA-N
DG00022	Copper	23978	Cu-7; Paragard T 380a; Tatum-t	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28694	DB09130	.	.	63.55	Cu	0	0	.	1	0	0	0	1S/Cu	[Cu]	RYGMFSIKBFXOCR-UHFFFAOYSA-N
DG00023	Daunorubicin	30323	"Daunorubicin; Daunomycin; 20830-81-3; Rubidomycin; Cerubidine; Daunorubicine; Acetyladriamycin; Leukaemomycin C; Daunorubicinum; Daunarubicinum; Daunorrubicina; Daunamycin; Cerubidin; DaunoXome; Rubomycin C; (+)-Daunomycin; Daunoblastin; Anthracyline; Rubomycin; Daunorubicinum [INN-Latin]; RP 13057; Daunorubicin [INN:BAN]; RCRA waste no U059; FI6339; NSC-82151; DAUNORUBICIN HCL; DaunoXome (TN); UNII-ZS7284E0ZP; CCRIS 914; ZS7284E0ZP; CHEBI:41977; HSDB 5095; C27H29NO10; NCI-C04693; EINECS 244-069-7; Ondena; NSC 83142; Acetyladriamycin; Daunoblastine; Antibiotics from Streptomyces coeruleorubidus; DM1; FI 6339; Dauno-Rubidomycine; Daunorubicin (INN); Daunorubicin (liposomal); Daunorubicin, Hydrochloride; VS-103; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside; (7S,9R)-9-Acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione; (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; Anthracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41977	DB00694	DR00284	DR0424	527.5	C27H29NO10	186	960	1.8	38	5	11	4	"1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O	STQGQHZAVUOBTE-VGBVRHCVSA-N
DG00024	Zidovudine	35370	"Zidovudine; Azidothymidine; 30516-87-1; 3'-Azido-3'-deoxythymidine; Retrovir; AZT; Zidovudinum; Compound S; Thymidine, 3'-azido-3'-deoxy-; ZIDOVUDINE [AZT]; zidovudin; BW A509U; Zidovudinum [Latin]; Zidovudina [Spanish]; BWA509U; DRG-0004; 3'-Azido-2',3'-Dideoxythymidine; ZDV; UNII-4B9XT59T7S; 3'-Deoxy-3'-azidothymidine; CCRIS 105; Aztec; BW-A509U; BW-A-509U; HSDB 6515; 3'-Azido-3'-deoxythymidine (AIDS); CHEMBL129; NSC 602670; BW-A 509U; MLS000028548; 4B9XT59T7S; AZT; Antiviral; Azidodeoxythymidine; ZVD; Zidovudin; Zidovudina; AZT Antiviral; AZT TRANSPLACENTAL CARCINOGENESIS STUDY; Antiviral AZT; Cpd S; Racemic Liposomal AZT; Zidovudine EP III; BWA 509U; K7 [P Ti2 W10 O40]; AZT & EPO; AZT & HPA; AZT & Lymphoblastoid Interferon; AZT & SST; AZT & rsT4; AZT & sCD4; AZT & srCD4; AZT (Antiviral); AZT+PRO 140; AZT, Antiviral; Apo-Zidovudine; BWA-509U; Intron A & AZT; Novo-Azt; Propolis+AZT; Retrovir (TN); Retrovir(TM); Retrovis (TN); Zidovudine+PRO 140; AZT & Colony-stimulating factor 2; AZT & Concanavalin A (ConA); AZT & GM-CSF; AZT & IFN-alpha; AZT & IL-1; AZT & IL-2; AZT & IL-6; AZT & Li & EPO; AZT & NP (from PHCA or HSA); AZT & PM-19; DS-4152 & AZT; Liposomal AZT-SN-1; Liposomal AZT-SN-3; PC-SOD+AZT;RIFN-beta seron & AZT; AZT & CD4(178)-PE 40; AZT & Li & GM-CSF; AZT & Li & IL-1; AZT & Li & IL-6; AZT & rIFNalpha2; Racemic-dipalmitoylglycerophospho-AZT (in a lipid vesicle); Zidovudine (JAN/USP/INN); Zidovudine [USAN:INN:BAN:JAN]; AZT & rsCD4 & rIFNalphaA; SN-1-dipalmitoylglycerophospho-AZT (in a lipid vesicle); SN-3-dipalmitoylglycerophospho-AZT (in a lipid vesicle); AZT & Interferon-alpha-2; Met-SDF-1beta & AZT; Met-SDF-1beta & Zidovudine; Interferon AD + 3'-azido-3'-deoxythymidine; 1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)thymine; 3′-Azido-3′-deoxythymidine; 3' Azido 2',3' Dideoxythymidine; 3' Azido 3' deoxythymidine; 3'-Azido-3'-deoxythymidine & Concanavalin A; 3'-Azido-3'-deoxythymidine & Erythropoietin; 3'-Azido-3'-deoxythymidine & Heteropolyoxotungstate PM-19; 3'-Azido-3'-deoxythymidine & Interleukin-1; 3'-Azido-3'-deoxythymidine & Interleukin-2; 3'-Azido-3'-deoxythymidine & Interleukin-6; 3'-Azido-3'-deoxythymidine & Lithium & Erythropoietin; 3'-Azido-3'-deoxythymidine & Lithium & Interleukin-1; 3'-Azido-3'-deoxythymidine & Lithium & Interleukin-6; 3'-Azido-3'-deoxythymidine & Lymphoblastoid Interferon; 3'-Azido-3'-deoxythymidine & Sho-Saiko-To; 3'-Azido-3'deoxythymidine & Interferon-alpha; 3'-Azidothymidine; 3'-azido-3'-deoxythymidine, AZT; 3-Azido-3-deoxythymidine; Dendrigen; CTCE-0422"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10110	DB00495	DR00296	DR1729	267.24	C10H13N5O4	93.2	484	0	19	2	6	3	"1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]	HBOMLICNUCNMMY-XLPZGREQSA-N
DG00025	Chlorpromazine	2726	Aminasine; Aminazin; Aminazine; Ampliactil; Amplicitil; Amplictil; BC 135; Chlor-PZ; Chlor-Promanyl; Chlordelazine; Chlorderazin; Chloropromazine; Chlorpromados; Chlorpromanyl (discontinued); Chlorpromazin; Chlorpromazine (USP/INN); Chlorpromazine Tannate; Chlorpromazine [USAN:INN:BAN]; Chlorpromazinum; Chlorpromazinum [INN-Latin]; Clorpromazina; Clorpromazina [INN-Spanish]; Clorpromazina [Italian]; Contomin; Cromedazine; Elmarin; Esmind; Fenactil; Fenaktyl; Fraction AB; HL 5746; JHICC02042; Largactil; Largactil (TN); Largactil Liquid; Largactil Oral Drops; Largactilothiazine; Largactyl; Megaphen; Novo-Chlorpromazine; Novomazina; Phenactyl; Phenathyl; Phenothiazine hydrochloride; Plegomasine; Plegomazin; Prazilpromactil; Proma; Promactil; Promazil; Propaphen; Propaphenin; Prozil; Psychozine; SKF 2601-A; SKF 2601A; SKF-2601; Sanopron; Thorazine; Thorazine (TN); Thorazine Spansule; Thorazine Suppositories; Thorazine hydrochloride; Torazina; Wintermin; Z80	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3647	DB00477	DR00502	.	318.9	C17H19ClN2S	31.8	339	5.2	21	0	3	4	"1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	ZPEIMTDSQAKGNT-UHFFFAOYSA-N
DG00026	Silibinin	31553	"Silibinin; Silybin; 22888-70-6; Flavobin; Silymarin I; Silybin A; Silybine; Silibinine; Silliver; Silibinin A; Silibininum; Silibinina; Flavobin Spofa; Silymarine I; Silibinin [INN]; Silymarine; Silibininum [INN-Latin]; Silibinine [INN-French]; Silibinina [INN-Spanish]; 7C3MT; UNII-33X338MNE4; EINECS 245-302-5; NSC 651520; Silimarin; Silibin; CHEBI:9144; 33X338MNE4; Silibinin (INN); NSC651520; C25H22O10; NCGC00091057-01; DSSTox_CID_6018; DSSTox_RID_77985; DSSTox_GSID_26018; (2R,3R)-3,5,7-trihydroxy-2-((2R,3R)-3-(4-hydroxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9144	DB09298	DR00388	.	482.4	C25H22O10	155	750	2.4	35	5	10	4	"1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1"	COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O	SEBFKMXJBCUCAI-HKTJVKLFSA-N
DG00027	Tretinoin	444795	"Retinoic acid; tretinoin; 302-79-4; Vitamin A acid; all-trans-Retinoic acid; trans-Retinoic acid; ATRA; Airol; Retin-A; Vesanoid; Renova; Dermairol; Aknoten; Eudyna; Aberel; all-trans-Vitamin A acid; Aknefug; All-trans Retinoic Acid; Cordes vas; Epi-aberel; Atralin; Vitamin A1 acid, all-trans-; Tretin M; Retin-A Micro; all-trans-Vitamin A1 acid; Vitamin A acid, all-trans-; all-trans-Tretinoin; Effederm; Retionic acid; TRETINON; Retinoic acid, all-trans-; Alltrans-retinoic acid; beta-Ra; all-(E)-Retinoic acid; beta-Retinoic acid; Avitoin; Aberela; Acnavit; Atragen; Betarretin; Lsotretinoin; Nexret; Panretyn; REA; Retacnyl; Retinoate; Retinova; Solage; Tretinoina; Tretinoine; Tretinoino; Tretinoinum; Vesnaroid; Vitinoin; Aberela [Norway]; Accutane Roche; Acnavit [Denmark]; All Trans Retinoic Acid; Avita Gel; Avitoin [Norway]; Beta all trans Retinoic Acid; Cordes VAS [Germany]; Effederm [France]; Panretin Gel; Retin A; Trans Retinoic Acid; Tretinoin Potassium Salt; Tretinoin Sodium Salt; Tretinoin Zinc Salt; Tretinoin liposome; AGN100335; AGN 192013; ALRT 1057; BAL4079; LGD 100057; R 2625; [3H]Retinoic acid; A-Vitaminsyre; A-Vitaminsyre [Denmark]; AT-RA; Aberela (TN); Acid, Retinoic; Acid, Vitamin A; All trans-Retinoic acid; Atra-IV; Avita (TN); B-Retinoic acid; BML2-E05; Beta-Ra; Beta-Retinoic acid; Potassium Salt, Tretinoin; RETINOIC ACID, ALL TRANS; Renova (TN); Retin A (TN); Retisol-A; Ro 1-5488; Salt, Tretinoin Potassium; Salt, Tretinoin Sodium; Salt, Tretinoin Zinc; Sodium Salt, Tretinoin; Stieva-A; Stieva-a Forte; Trans-Retinoicacid; Tretinoin (TN); Tretinoina [INN-Spanish]; Tretinoine [INN-French]; Tretinoino [INN-Spanish]; Tretinoinum [INN-Latin]; Tri-Luma; Vesanoid (TN); Zinc Salt, Tretinoin; A-Acido (Argentina); Acid A Vit (Belgium, Netherlands); Acid, trans-Retinoic; Acide retinoique (French) (DSL); All-trans-Retinoic acid; All-trans-Tretinoin; All-trans-Vitamin A acid; All-trans-Vitamin A1 acid; PDT-002-002; Retin-A (TN); Stieva-A (TN); Tretinoin 01% cream or placebo; Tretinoin [USAN:INN:BAN]; Tretinoin/All-Trans Retinoic Acid; Tretinoine (French) (EINECS); Acid, all-trans-Retinoic; All-(E)-Retinoic acid; All-trans-b-Retinoic acid; All-trans-beta-Retinoic acid; Beta-all-trans-Retinoic acid; Tretinoin (JAN/USP/INN); Acid, beta-all-trans-Retinoic; Retinoic acid, all-trans-(8CI); Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Tretinoin; 15-Apo-beta-caroten-15-oic acid; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; 9(Z)-Retinoic acid; 9-cis-RA; 9-trans-retinoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15367	DB00755	DR00154	DR1634	300.4	C20H28O2	37.3	567	6.3	22	1	2	5	"1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+"	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	SHGAZHPCJJPHSC-YCNIQYBTSA-N
DG00029	Glutathione	124886	Glutathione; 70-18-8; Glutathion; Isethion; Tathion; Glutathione-SH; Glutinal; reduced glutathione; Neuthion; Deltathione; Copren; L-Glutathione reduced; Glutide; Tathione; Triptide; Ledac; Glutatione; GSH; Glutatiol; Panaron; gamma-L-Glutamyl-L-cysteinylglycine; Glutathione SH; L-Glutatione; Glutathione (reduced); Agifutol S; L-gamma-glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; 5-L-Glutamyl-L-cysteinylglycine; Glutathione [JAN]; glutathione red; gamma-L-Glutamylcysteinylglycine; red. glutathione	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16856	DB00143	DR00039	DR2036	307.33	C10H17N3O6S	160	389	-4.5	20	6	8	9	"1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1"	C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	RWSXRVCMGQZWBV-WDSKDSINSA-N
DG00030	Digoxin	2724385	"Digoxin; 20830-75-5; 12beta-Hydroxydigitoxin; Digoxine; Lanoxin; Lanoxicaps; Digossina; Digoxina; Digoxinum; Digosin; Lanicor; Digacin; Dilanacin; CHEBI:4551; MLS000069819; Lanacordin; Cardiogoxin; Eudigox; Davoxin; SMR000059217; Rougoxin; Mapluxin; Lenoxin; Lanacrist; Dynamos; Vanoxin; Neo-Lanicor; Lanoxin PG; Digoxin Pediatric; Digoxin Nativelle; SK-Digoxin; UNII-73K4184T59; Homolle's digitalin; Hemigoxine Nativelle; MFCD00003674; Digitek (TN); Lanoxicaps (TN); Lanoxin (TN); Digoxin (JP15/USP); (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8700^{2,7}; [3H]digoxin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4551	DB00390	DR00148	DR0498	780.9	C41H64O14	203	1450	1.3	55	6	14	7	"1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	LTMHDMANZUZIPE-PUGKRICDSA-N
DG00031	Spectinomycin	15541	"Actinospectacin; Actinospectacina; Adspec; Espectinomicina; Prospec; SCM; SPCM; Spectam; Spectinomicina; Spectinomycine; Spectinomycinum; Spectogard; Stanilo; Togamycin; Trobicin; Actinospectacina [Italian]; Spectam Scour Halt; Spectinomicina [Italian]; Spectinomycin Di HCl; Spectinomycin HCl; Spectinomycin dihydrochloride; Spectinomycin hydrochloride; Spectinomycin hydrochloride anhydrous; Spectinomycin monohydrochloride; Spectinomycin sulfate; Antibiotic 2233wp; M 141; U 18409; U 18409 E; Actinospectacin, hydrochloride; Adspec (TN); Espectinomicina [INN-Spanish]; M-141; Prospec (TN); Spectinomycin (INN); Spectinomycin Dihydrochloride, Anhydrous; Spectinomycin Dihydrochloride, Pentahydrate; SpectinomycinHCl/ Sulphate; Spectinomycin Hydrochloride (anhydrous); Spectinomycin [INN:BAN]; Spectinomycine [INN-French]; Spectinomycinum [INN-Latin]; Trobicin (TN); U-18409AE; XK 43-1; Togamycin sulfate (1:1); ACTINOSPECTACIN, ESPECTINOMICINA, CHX-3101; (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one; (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one monohydrochloride; 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-, sulfate (1:1) (salt)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9215	DB00919	.	DR2379	332.35	C14H24N2O7	130	478	-3.1	23	5	9	2	"1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1"	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	UNFWWIHTNXNPBV-WXKVUWSESA-N
DG00032	Topotecan	60700	"Hycamptamine; Hycamptin; Hycamtamine; Topotecane; Topotecanum; Topotecan lactone; SKF 104864; SKF-S 104864; TOPOTECAN, HYCAMTIN; Topotecan (BAN); Topotecan [INN:BAN]; Topotecane [INN-French]; Topotecanum [INN-Latin]; Topotecan Monohydrochloride, (S)-Isomer; (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4H,12H)-dione; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 9-Dimethylaminomethyl-10-hydroxycamptothecin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63632	DB01030	DR00044	.	421.4	C23H23N3O5	103	867	0.5	31	2	7	3	"1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O	UCFGDBYHRUNTLO-QHCPKHFHSA-N
DG00033	Levofloxacin	149096	"Aeroquin; Cravit; Elequine; Floxacin; Floxel; Iquix; LFX; LVX; Leroxacin; Lesacin; Levaquin; Levofloxacine; Levofloxacino; Levofloxacinum; Levokacin; Levox; Levoxacin; Mosardal; Nofaxin; Oftaquix; Quixin; Reskuin; Tavanic; Volequin; Cravit Ophthalmic; DR 3354; DR3355; HR 355; Cravit (TN); D-Levofloxacin; DR-3355; HR-355; Iquix (TN); L-Ofloxacin; LEVAQUIN IN DEXTROSE 5% IN PLASTIC CONTAINER; Levaquin (TN); Levofloxacin (INN); Levofloxacin tablet, suspension or intravenous; Levofloxacine [INN-French]; Levofloxacino [INN-Spanish]; Levofloxacinum [INN-Latin]; MP-376; Oftaquix (TN); Quixin (TN); R-Ofloxacin; RWJ 25213-097; RWJ-25213; Tavanic (TN); Levofloxacin [USAN:INN:JAN]; DR-3355: L-isomer of ofloxacin; Ofloxacin S-(-)-form; S-(-)-Ofloxacin; (-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyridol[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate; (-)-(S)-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7Hpyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihydrate; (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; (R)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (R)-isomer; (S)-(-)-Ofloxacin; (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (S)-Ofloxacin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63598	DB01137	DR00046	DR2456	361.4	C18H20FN3O4	73.3	634	-0.4	26	1	8	2	"1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1"	C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	GSDSWSVVBLHKDQ-JTQLQIEISA-N
DG00034	Abiraterone	132971	Abiraterone (AR inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68642	DB05812	.	.	349.5	C24H31NO	33.1	636	4.6	26	1	2	1	"1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1"	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O	GZOSMCIZMLWJML-VJLLXTKPSA-N
DG00035	Carbenicillin	20824	"CBPC; Carbenicilina; Carbenicillina; Carbenicilline; Carbenicillinum; Carboxybenzylpenicillin; Pyopen; Carbenicillina [DCIT]; Carboxybenzyl Penicillin; Carboxybenzylpenicillin acid; Alpha-Carboxybenzylpencillin; Alpha-Carboxybenzylpenicillin solution; Carbenicilina [INN-Spanish]; Carbenicillin (INN); Carbenicillin [INN:BAN]; Carbenicilline [INN-French]; Carbenicillinum [INN-Latin]; Alpha-Phenyl(carboxymethylpenicillin); N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid;N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid; (2S,5R,6R)-6-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(alpha-Carboxyphenylacetamido)penicillanic acid; 6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3393	DB00578	DR00995	DR2390	378.4	C17H18N2O6S	149	645	1.1	26	3	7	5	"1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9 ,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C	FPPNZSSZRUTDAP-UWFZAAFLSA-N
DG00036	Rezafungin	78318119	"CD-101; CD101; SP-3025; CHEMBL3989945; HY-108009; CS-0027142; J3.555.717B; J3.599.425D; (4R,5R)-N2-[4-(4'-Pentoxy-1,1'-biphenyl-4-yl)benzoyl]-5-[2-(trimethylaminio)ethoxy]-4-hydroxy-cyclo[L-Orn*-[(3R)-3-methyl-L-Ser-]-[(4R)-4-hydroxy-L-Pro-]-2-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-L-Gly-[(3R)-3-methyl-L-Ser-]-[(3S,4S)-3-hydroxy-4-methyl-L-Pro-]-]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB16310	.	.	1226.4	C63H85N8O17+	366	2300	2.9	88	13	17	18	"1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O	LNFCWEXGZIEGJW-TXSVMFMRSA-O
DG00037	Cefoxitin	441199	"Mefoxin; Mefoxitin; CEFOXITIN SODIUM; Cefoxitin sodium salt; Mefoxin (TN); Cefoxitin (USAN/INN); Cefoxitin sodium (JAN/USP); (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7S)-3-{[(aminocarbonyl)oxy]methyl}-7-(methyloxy)-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(2-thienylacetyl)amino]-3,4-didehydrocepham-4-carboxylate; 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:209807	DB01331	DR00828	DR2492	427.5	C16H17N3O7S2	202	744	0	28	3	9	8	"1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1"	CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3	WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
DG00038	Erythromycin	12560	"Abboticin; Abomacetin; Acneryne; Acnesol; Aknemycin; Aknin; AustriaS; Benzamycin; Derimer; Deripil; Dotycin; Dumotrycin; ERY; ERYC; Emgel; Emuvin; Emycin; Endoeritrin; Erecin; Erisone; Eritomicina; Eritrocina; Eritromicina; Ermycin; Eros; Eryacne; Eryacnen; Erycen; Erycette; Erycin; Erycinum; Eryderm; Erydermer; Erygel; Eryhexal; Erymax; Erymed; Erysafe; Erytab; Erythro; Erythroderm; Erythrogran; Erythroguent; Erythromid; Erythromycine; Erythromycinum; Erytop; Erytrociclin; Ilocaps; Iloticina; Ilotycin; Inderm; IndermRetcin; Latotryd; Lederpax; Mephamycin; Mercina; Oftamolets; Paediathrocin; Pantoderm; Pantodrin; Pantomicina; Pharyngocin; Primacine; Propiocine; Proterytrin; Retcin; Robimycin; Romycin; Sansac; Staticin; Stiemicyn; Stiemycin; Tiloryth; Tiprocin; Torlamicina; Wemid; Akne Cordes Losung; Aknederm Ery Gel; Benzamycin Pak; ERYTHROMYCIN STEARATE; Eryc Sprinkles; Erythromycin A; Erythromycin Lactate; Erythromycin Ointment; Erythromycin base; Erythromycin intravenous; Erythromycin sodium lauryl sulfate; Inderm Gel; Oftalmolosa Cusi Eritromicina; Skid Gel E; Theramycin Z; Udima Ery Gel; E0751; Eryc 125; Erythromast 36; Ak-Mycin; Akne-Mycin; Del-Mycin; E-Base; E-Glades; E-Mycin; E-Solve 2; ERYC (base); Emu-V; Emu-Ve; Erimycin-T; Eritromicina [INN-Spanish]; Ery-B; Ery-Diolan; Ery-Sol; Ery-Tab; Ery-maxin; Eryc (TN); Eryc-125; Eryc-250; Erygel (TN); Erythra-Derm; Erythro-Statin; Erythro-Teva; Erythromycin & VRC3375; Erythromycine [INN-French]; Erythromycinum [INN-Latin]; Ilosone (TN); Ilosone (estolate); Ilotycin T.S; Kesso-Mycin; N-Methylerythromycin A; PCE Dispertab (base); Pce (TN); R-P Mycin; Sans-acne; Staticin (TN); T-Stat; Taimoxin-F; A/T/S; Akne-mycin (TN); C-Solve-2; E-Base (base); E-Mycin (base); Ery-Tab (base); Erythromycin [INN:BAN:JAN]; Ilotycin T.S.; T-stat (TN); E-mycin, Erycin, Robimysin; Erythromycin (JP15/USP/INN); Erythromycin, compd. with monododecyl sulfate, sodium salt; Sulfuric acid, monododecyl ester, sodium salt, compd. with erythromycin; Adecane-2,10-dione (non-preferred name); Erythromycin A, T-Stat, Pantomicina, HSDB 3074, Erytab, DRG-0279; Ery"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42355	DB00199	DR00050	.	733.9	C37H67NO13	194	1180	2.7	51	5	14	7	"1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ULGZDMOVFRHVEP-RWJQBGPGSA-N
DG00039	Sulfasalazine	5339	Sulfasalazine; 599-79-1; Salicylazosulfapyridine; Salazosulfapyridine; Azulfidine; Asulfidine; Salazopyridin; Sulcolon; Azopyrin; Accucol; Colo-Pleon; Salazopiridazin; Salisulf; Reupirin; Benzosulfa; Azopyrine; Salazosulfapyridin; Sulfasalazina; w-t Sasp oral; Sulfasalazinum; Sulfasalazin; Azulfidine EN; Sulfazalazine; Azulfidine EN-tabs; Salazosulfapiridina; Sas-500; Salazosulfapyridinum; Azosulfidin; SASP; Salazo-sulfapyridinum; 5-(p-(2-Pyridylsulfamyl)phenylazo)salicylic acid; SAS-500; Sulfasalizine	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9334	DB00795	DR00201	DR1513	398.4	C18H14N4O5S	150	657	-0.7	28	3	9	6	"1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)"	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O	NCEXYHBECQHGNR-UHFFFAOYSA-N
DG00040	Thioguanine	2723601	"6-thioguanine; Lanvis; THG; Tabloid; ThioguaninGSK; Tioguanin; Tioguanina; Tioguanine; Tioguaninum; Glaxo Wellcome Brand of Thioguanine; Glaxo Wellcome Brand of Tioguanine; GlaxoSmithKline Brand of Thioguanine; GlaxoSmithKline Brand of Tioguanine; Thioguanin GSK; Thioguanine Hemihydrate; Thioguanine Monosodium Salt; Thioguanine Tabloid; Tioguanina Wellcome; Tioguanine GlaxoSmithKline Brand; Wellcome Brand of Thioguanine; BW 5071; DX4; LT00455187; Wellcome U3B; Lanvis (TN); Thioguanin-GSK; Thioguanine [USAN:BAN]; Tioguanina[INN-Spanish]; Tioguanine (INN); Tioguaninum [INN-Latin]; Purine antimetabolite: antimetabolite: inhibits nucleic acid replication; Guanine, thio-(VAN); 2 Amino 6 Purinethiol; 2-Amino 6MP; 2-Amino-1,7-dihydro-6H-purin-6-thion; 2-Amino-1,7-dihydro-6H-purin-6-thion [Czech]; 2-Amino-1,7-dihydro-6H-purine-6-thione; 2-Amino-6-MP; 2-Amino-6-mercaptopurine; 2-Amino-6-merkaptopurin; 2-Amino-6-merkaptopurin [Czech]; 2-Amino-6-purinethiol; 2-Amino-9H-purine-6-thiol; 2-Aminopurin-6-thiol; 2-Aminopurin-6-thiol [Czech]; 2-Aminopurine-6(1H)-thione; 2-Aminopurine-6-thiol; 2-Thioguanine; 2-amino-3,7-dihydropurine-6-thione; 6 Thioguanine; 6-Mercapto-2-aminopurine; 6-Mercaptoguanine; 6-TG; 6-Thioguanine; 6-Thioguanine (6-TG); 6-Thioguanine, Thioguanine; Thioguanine (Guanine analog)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9555	DB00352	DR00510	DR1597	167.19	C5H5N5S	111	225	-0.1	11	3	2	0	"1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)"	C1=NC2=C(N1)C(=S)N=C(N2)N	WYWHKKSPHMUBEB-UHFFFAOYSA-N
DG00041	Quinine	3034034	"Aflukin; Chinin; Chinine; Chininum; Conchinin; Conquinine; Quindan; Quinidex; Quinidine; Quinimax; Quinina; Quinineanhydrous; Quinora; Quniacridine; Chinin [German]; Kinder Quinina; QUININE MONO HCL; Quinine Dab; Quinine [BAN]; Quinine anhydrous; Quinine bisulfate; Quinine sulfate; Quinine sulphate; Quinoline alkaloid; LT00645788;Q0028; SB01652; Beta-Quinine; Cin-Quin; Coco-Quinine; IBS-L0034250; Kinder Quinina (TN); Legatrin (TN); Quinine (BAN); Quinine, Anhydrous; Quinine, polymers; Quinine, tannate; Biquinate (*Bisulfate heptathydrate*); Dentojel (*Bisulfate heptathydrate*); Quinamm (*2:1 Sulfate salt*), dihydrate; Quine (*2:1 Sulfate salt*, dihydrate); Quinsan (*2:1 Sulfate salt*), dihydrate; Alpha-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol; Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate; (+)-Quinidine; (-)-Quinine; (1R)-(6-Methoxyquinolin-4-yl)((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol; (3A,8A,9r)-6'-methoxycinchonan-9-ol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; (8-alpha,9R)-6'-Methoxycinchonan-9-ol; (8.alpha.,9R)-6'-Methoxycinchonan-9-ol; (8S,9R)-6'-Methoxycinchonan-9-ol; (8S,9R)-Quinine; (9R)-6'-methoxy-8alpha-cinchonan-9-ol; (R)-(-)-Quinine, 6-methoxycinchonidine; (R)-(-)-quinine; (R)-(6-Methoxy-quinolin-4-yl)-((2S,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol; (R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol; (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; 6'-Methoxycinchonan-9-ol; 6'-Methoxycinchonidine; 6'-Methoxycinchonine; 6-Methoxycinchonine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15854	DB00468	DR00054	.	324.4	C20H24N2O2	45.6	457	2.9	24	1	4	4	"1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1"	COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O	LOUPRKONTZGTKE-WZBLMQSHSA-N
DG00042	Vismodegib	24776445	879085-55-9; GDC-0449; Erivedge; 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide; Vismodegib (GDC-0449); HhAntag691; GDC0449; GDC 0449; UNII-25X868M3DS; CHEMBL473417; CHEBI:66903; 25X868M3DS; NSC755986; AK-77261; 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide; C19H14Cl2N2O3S; 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide; 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide; Erivedge (TN); Vismodegib (SHH inhibitor); Gdc-0449	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66903	DB08828	DR00234	DR1698	421.3	C19H14Cl2N2O3S	84.5	625	3.8	27	1	4	4	"1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)"	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl	BPQMGSKTAYIVFO-UHFFFAOYSA-N
DG00043	Zithromax	447043	Azithromycin; Zithromax; 83905-01-5; Azithromycinum; Azithromycine; Sumamed; Zitromax; Zmax; Hemomycin; Azitrocin; Azasite; Azenil; Aritromicina; Zitrotek; Zithrax; Mixoterin; Setron; Aziwok; Zitrim; Aztrin; Zifin; Tobil; Zmas; Zeto; Azithromycinum [Latin]; Azithromycine [French]; Zithromax IV; AZITHROMYCIN DIHYDRATE; Misultina; Azitromax; Z-Pak; Tromix; Aritromicina [Spanish]; Azitromicina; CP-62993; UNII-J2KLZ20U1M; DRG-0104; CCRIS 1961; HSDB 7205; Azithromycin (anhydrous); C38H72N2O12; BRN 5387583; J2KLZ20U1M; Azythromycin; CHEBI:2955	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2955	DB00207	DR00367	DR0168	749	C38H72N2O12	180	1150	4	52	5	14	7	"1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	MQTOSJVFKKJCRP-BICOPXKESA-N
DG00044	Darunavir	213039	"206361-99-1; TMC114; Prezista; TMC-114; UIC-94017; Darunavirum; TMC 114; Darunavirum [INN-Latin]; UNII-YO603Y8113; AIDS073035; CHEMBL1323; (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE; CHEBI:367163; Darunavir-d9; YO603Y8113; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate; NCGC00168773-01; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl; Darunavirum; Darunavir [USAN]; UIC 94017; Prezista(TM); UIC-96017; Darunavir (USAN/INN); Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester; {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(330)oct-2-yloxy)carboxamide; [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester; (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:367163	DB01264	DR00514	DR0420	547.7	C27H37N3O7S	149	853	2.9	38	3	9	12	"1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N	CJBJHOAVZSMMDJ-HEXNFIEUSA-N
DG00045	Sirolimus	5284616	"53123-88-9; Rapamune; Rapamycin (Sirolimus); AY-22989; Rapammune; sirolimusum; WY-090217; RAPA; Antibiotic AY 22989; AY 22989; UNII-W36ZG6FT64; CCRIS 9024; CHEBI:9168; SILA 9268A; W36ZG6FT64; HSDB 7284; C51H79NO13; NSC 226080; DE-109; NCGC00021305-05; DSSTox_CID_3582; DSSTox_RID_77091; DSSTox_GSID_23582; Cypher; Supralimus; Wy 090217; Perceiva; RAP; RPM; Rapamycin from Streptomyces hygroscopicus; SIIA 9268A; LCP-Siro; MS-R001; Rapamune (TN); Rapamycin (TN); Sirolimus (RAPAMUNE); Rapamycin C-7, analog 4; Sirolimus (USAN/INN); Sirolimus [USAN:BAN:INN]; Sirolimus, Rapamune,Rapamycin; Heptadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy; 23,27-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine; 23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine; 23,27-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29; 3H-pyrido(2,1-c)(1,4)oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone; Sirolimus (MTOR inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9168	DB00877	DR00262	DR1489	914.2	C51H79NO13	195	1760	6	65	3	13	6	"1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC	QFJCIRLUMZQUOT-HPLJOQBZSA-N
DG00047	Ofloxacin	4583	"Bactocin; DEXTROFLOXACINE; Danoflox; Effexin; Exocin; Exocine; Flobacin; Flodemex; Flotavid; Flovid; Floxal; Floxil; Floxin; Floxstat; Fugacin; Inoflox; Kinflocin; Kinoxacin; Liflox; Loxinter; Marfloxacin; Medofloxine; Mergexin; Novecin; Nufafloqo; OFLX; OFX; Obide; Occidal; Ocuflox; Ofcin; Oflin; Oflocee; Oflocet; Oflocin; Oflodal; Oflodex; Oflodura; Oflox; Ofloxacina; Ofloxacine; Ofloxacino; Ofloxacinum; Ofloxin; Ofus; Onexacin; Operan; Orocin; Otonil; Oxaldin; Pharflox; Praxin; Puiritol; Qinolon; Qipro; Quinolon; Quotavil; Rilox; Sinflo; Tabrin; Taravid; Tariflox; Tarivid; Telbit; Tructum; Viotisone; Visiren; XED; Zanocin; Floxin otic; Ofloxacin Otic; Ofloxacina [DCIT]; Ofloxacine [French]; Ofloxacino [Spanish]; Ofloxacinum [Latin]; Uro Tarivid; DL 8280; HOE 280; O 8757; ORF 18489; PT 01; DL-8280; FLOXIN IN DEXTROSE 5%; FLOXIN IN DEXTROSE 5% IN PLASTIC CONTAINER; Floxin Otic (TN); HOE-280; Hoe-280; Marfloxacin (TN); O-Flox; ORF-28489; Ocuflox (TN); Ru-43280; WP-0405; Ofloxacin (JP15/USP/INN); Ofloxacin [USAN:BAN:INN:JAN]; Ofloxacin, (S)-Isomer; DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet, Ofloxacin; (+-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperaz inyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; (+/-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; (+/-)-Floxin; (-)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazin-6-carbonsaeure; 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7731	DB01165	DR00517	DR2298	361.4	C18H20FN3O4	73.3	634	-0.4	26	1	8	2	"1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)"	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	GSDSWSVVBLHKDQ-UHFFFAOYSA-N
DG00048	Doripenem	73303	"Doribax; S 4661; S-4661; Doripenem (USAN/INN); (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135928	DB06211	.	DR0534	420.5	C15H24N4O6S2	196	780	-3.4	27	5	10	7	"1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O	AVAACINZEOAHHE-VFZPANTDSA-N
DG00049	Gemcitabine	60750	Gemcitabine hydrochloride; DDFC; DFdC; DFdCyd; Folfugem; GEO; Gamcitabine; GemLip; Gemcel; Gemcin; Gemcitabina; Gemcitabinum; Gemtro; Gemzar; Zefei; Gemcitabine HCl; Gemcitabine stereoisomer; LY 188011; LY188011; Gemcitabina [INN-Spanish]; Gemcitabinum [INN-Latin]; Gemzar (TN); Gemzar (hydrochloride); Inno-D07001; LY-188011; Gemcitabine (USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:175901	DB00441	DR00063	DR0765	263.2	C9H11F2N3O4	108	426	-1.5	18	3	6	2	"1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	SDUQYLNIPVEERB-QPPQHZFASA-N
DG00050	Crizotinib	11626560	Xalkori (TN); novel ALK inhibitors	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64310	DB08865	DR00523	DR0387	450.3	C21H22Cl2FN5O	78	558	3.7	30	2	6	5	"1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1"	C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N	KTEIFNKAUNYNJU-GFCCVEGCSA-N
DG00051	Cerulenin	5282054	"Helicocerin; Cerulenin, Cephalosporium caerulens; Oxiranecarboxamide, 3-(1-oxo-4,7-nonadienyl)-, (2R-(2-alpha,3-alpha(4E,7E)))-(9CI); (2R,3S)-2,3-Epoxy-4-oxo-7E,10E-dodecadienamide; (2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide; (2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide; (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; (2R,3S)-3-nona-4,7-dienoyloxirane-2-carboxamide; (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; (2R-(2alpha,3alpha(4E,7E)))-3-(1-Oxonona-4,7-dienyl)oxirane-2-carboxamide; (2S)(3R)-2,3-Epoxy-4-oxo-7,10-dodecadienoylamide; (2S,3R)-2,3-epoxy-4-oxy-7,10-dodecadienoylamide; (2r,3s)-3-(nona-4,7-dienoyl)oxirane-2-carboxamide; 2,3-Epoxy-4-oxo-7,10-dodecadienamide; 2,3-Epoxy-4-oxo-7,10-dodecadienoylamide; 3-(1-Oxo-4,7-nonadienyl)oxiranecarboxamide; 3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide; 3-nona-4,7-dienoyloxirane-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:171741	DB01034	.	.	223.27	C12H17NO3	72.7	320	0.8	16	1	3	7	"1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1"	C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	GVEZIHKRYBHEFX-NQQPLRFYSA-N
DG00052	Luteolin	5280445	"Luteolin; luteolin; 491-70-3; Luteolol; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Luteoline; Digitoflavone; Flacitran; Weld Lake; Cyanidenon 1470; Salifazide; Yama kariyasu; 5,7,3',4'-Tetrahydroxyflavone; UNII-KUX1ZNC9J2; CI Natural Yellow 2; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 7-Tetrahydroxyflavone; CCRIS 3790; EINECS 207-741-0; KUX1ZNC9J2; CHEMBL151; BRN 0292084; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:15864	DB15584	.	.	286.24	C15H10O6	107	447	1.4	21	4	6	1	"1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H"	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O	IQPNAANSBPBGFQ-UHFFFAOYSA-N
DG00053	Lorlatinib	71731823	SCHEMBL15274056	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:143117	DB12130	.	DR0980	406.4	C21H19FN6O2	110	700	1.5	30	1	7	0	"1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1"	C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C	IIXWYSCJSQVBQM-LLVKDONJSA-N
DG00054	Gentian violet	11057	Crystal violet; gentian violet; 548-62-9; Basic violet 3; Aniline Violet; Hexamethylpararosaniline chloride; Methylrosaniline chloride; Hexamethyl Violet; Gentiaverm; Pyoktanin; Vianin; Atmonil; Viocid; Avermin; Adergon; Axuris; Badil; Bismuth Violet; Methyl Violet 10B; Basic Violet BN; methylrosanilinium chloride; Gentioletten; Gentersal; Oxycolor; Genticid; Vermicid; Oxiuran; Oxyozyl; Calcozine Violet C; Meroxyl-Wander; Meroxylan-Wander; Brilliant Violet 5B; Hecto Violet R; Calcozine Violet 6BN; Violet CP; Crystal Violet O; Paper Blue R	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41688	DB00406	.	.	408	C25H30ClN3	9.5	542	.	29	0	3	4	"1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]	ZXJXZNDDNMQXFV-UHFFFAOYSA-M
DG00055	Rifaximin	6436173	"RCIFAX; Rifaximin (bioadhesive/ gastrointestinal extended release); Rifaximin (bioadhesive/ gastrointestinal extended release), Salix Pharmaceuticals"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75246	DB01220	DR00073	.	785.9	C43H51N3O11	198	1590	6.9	57	5	12	3	"1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C	NZCRJKRKKOLAOJ-XRCRFVBUSA-N
DG00056	Ceritinib	57379345	"Ceritinib; LDK378; 1032900-25-6; ZYKADIA; NVP-LDK378-NX; LDK-378; UNII-K418KG2GET; LDK378(Ceritinib); LDK 378; Eritinib (LDK378); 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine; K418KG2GET; CHEMBL2403108; CHEBI:78432; AK174337; ceritinib; C28H36ClN5O3S; 5-Chloro-N2-[2-isopropoxy-5-Methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyriMidine-2,4-diaMine; 5-Chloro-N2-(5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl)-N4-(2-(propane-2-sulfonyl)phenyl)pyrim"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78432	DB09063	DR00228	.	558.1	C28H36ClN5O3S	114	835	6.4	38	3	8	9	"1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)"	CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl	VERWOWGGCGHDQE-UHFFFAOYSA-N
DG00057	Paromomycin	165580	"Aminosidin; Catenulin; Humatin; Hydroxymycin sulfate; Paramomycin Sulfate; Paromomycin I; Paromomycin sulfate Rx346208; Aminosidine, sulfate; HATT & Paromomycin; Humatin (TN); Paromomycin (INN); Paromomycin (TN); Paromomycin (complex); PA1-PA2-PA3-PA4; Human .alpha.-1-antitrypsin & Paromomyin; PAROMOMYCIN I, AMMINOSIDIN, CATENULIN, CRESTOMYCIN, MONOMYCIN A, NEOMYCIN E; (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside; (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol; O-2-Amino-2-deoxy-.alpha.-D-glucopyranosyl-(1->4)-O-[O-2,6-diamino-2,6-dideoxy-.beta.-L-idopyranosyl-(1->3)-.beta.D-ribofuranosyl(1->5)]-2-deoxy-D-streptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7934	DB01421	.	.	615.6	C23H45N5O14	347	870	-8.7	42	13	19	9	"1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	UOZODPSAJZTQNH-LSWIJEOBSA-N
DG00058	Amodiaquine	2165	"Amodiachin; Amodiachinum; Amodiaquin; Amodiaquina; Amodiaquinum; Basoquin; CQA; Camochin; Camoquin; Camoquinal; Camoquine; Flavoquin; Flavoquine; Miaquin; Sunoquine; Amodiaquine hydrochloride; Amodiaquine USP24; SN 10751; AMODIAQUINE, FLAVOQUINE; Amodiaquina [INN-Spanish]; Amodiaquinum [INN-Latin]; CAM-AQ 1; CAM-AQI; Cam-AQ1; Camoquin (TN); Flavoquine (TN); SN 10,751; WR-002977; Amodiaquine (USAN/INN); Amodiaquine [USAN:INN:BAN]; Amodiaquine, ring-closed; S. N. 10751"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2674	DB00613	DR00976	DR0102	355.9	C20H22ClN3O	48.4	406	2.6	25	2	4	6	"1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)"	CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O	OVCDSSHSILBFBN-UHFFFAOYSA-N
DG00059	Pefloxacin	51081	"Abactal; Labocton; PERFLOXACIN; PFLX; Peflacine; Pefloxacine; Pefloxacino; Pefloxacinum; Pefloxacin methanesulfonate; Silver Pefloxacin; AM-725; EU-5306; Pefloxacin [INN-French]; Pefloxacino [INN-Spanish]; Pefloxacinum [INN-Latin]; Pefloxacin (USAN/INN); Pefloxacin [USAN:BAN:INN]; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-methyl-1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50199	DB00487	.	.	333.36	C17H20FN3O3	64.099	545	0.3	24	1	7	3	"1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O	FHFYDNQZQSQIAI-UHFFFAOYSA-N
DG00060	Pyrimethamine/Sulfadoxine	65404	"Fansidar; Suldox; Pyrimethamine-sulfadoxine; 37338-39-9; Pyrimethamine mixture with sulfadoxine; Pyrimethamine combination with sulfadoxine; Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-, mixt. with 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine; sulphadoxine-pyrimethamine; sulfadoxine/pyrimethamine; Sulphadoxyne-pyrimethamine; sulfadoxine / pyrimethamine; Pyrimethamine / sulfadoxine; Sulphadoxine / pyrimethamine; Pyrimethamine-sulfadoxine mixt.; Sulfadoxine-pyrimethamine mixt.; Fansidar (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	559	C24H27ClN8O4S	203	662	.	38	4	12	7	"1S/C12H13ClN4.C12H14N4O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N	LUBUTTBEBGYNJN-UHFFFAOYSA-N
DG00062	Piperacillin	43672	"PIPC; Peperacillin; Peracin; Pipercillin; Pipracil; Pipril; PIPERACILLIN SODIUM; Piperacillin Monosodium Salt; Piperacillin anhydrous; Cl-227193; Peracin (TN); Piperacillin (INN); Piperacillin (anhydrous); Pipracil, Piper; T-1220; Zobactin (TN); (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S-(2alpha,5alpha,6beta(S*)))-6-(((((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-ethyl-2,3-dioxopiperazine carbonyl ampicillin; 6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanicacid; 6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8232	DB00319	DR00857	DR2410	517.6	C23H27N5O7S	182	982	0.5	36	3	8	6	"1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	IVBHGBMCVLDMKU-GXNBUGAJSA-N
DG00063	Dalfopristin	6323289	"5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4309	DB01764	.	.	690.8	C34H50N4O9S	185	1340	2.2	48	2	11	7	"1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1"	CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C	SUYRLXYYZQTJHF-VMBLUXKRSA-N
DG00064	Rifabutin	135398743	"Alfacid; Ansamycin; Ansatipin; Ansatipine; Assatipin; Mycobutin; RBT; Rifabutina; Rifabutine; Rifabutinum; Grunenthal Brand of Rifabutin; Kenfarma Brand of Rifabutin; Pfizer Brand of Rifabutin; Rifabutin Pfizer Brand; Rifabutina [Spanish]; Rifabutine [French]; Rifabutinum [Latin]; Antibiotic LM 427; LM 427; LM427; DRG-0085; LM-427; Mycobutin (TN); Rifabutin [USAN:BAN:INN]; Rifabutin (JAN/USP/INN); Mycobutin, Ansamycin, LM 427, Ansatipine, Rifabutin; (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethyl-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin; Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3H,9H)-trione, 16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptameth; 1,4-Dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin XIV; 4-Deoxo-3,4-(2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo)-rifamycin S; 4-N-isobutylspiropiperidylrifamycin S"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00615	.	DR1418	847	C46H62N4O11	209	2110	4.7	61	5	14	5	"1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36 /t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C	ZWBTYMGEBZUQTK-PVLSIAFMSA-N
DG00065	Pentamidine	4735	"Lomidine; Nebupent; PENTAM; PNT; Pentacarinat; Pentamide; Pentamidin; Pentamidina; Pentamidinum; Pneumopent; PENTAMIDINE ISETHIONATE; Pentamidina [DCIT]; Pentamidine isetionate; Pentamidine mesylate; MB 800; Pentam 300; Lomidine (TN); MB-800; Nebupent (as isethionate); Pentacarinat (as isethionate); Pentam 300 (as isethionate); Pentamidine (INN); Pentamidinum [INN-Latin]; RP-2512; Nebupent (*Isethionate); Pentacarinat (*Isethionate); Pentam 300 (*Isethionate); Pentamidine Isethionate 2-Hydroxy-Ethanesulfonic Acid;Pentamidine [INN:BAN:DCF]; RP 2512 (*Isethionate); P,p'-(Pentamethylenedioxy)bis[benzamidine]; P,p'-(Pentamethylenedioxy)dibenzamidine; P,p'-(Pentamethylene-dioxy)bis-benzamidine; Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-(9CI); 1,3-BIS(4-AMIDINOPHENOXY)PENTANE; 4, 4'-Diamidinodiphenoxypentane; 4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide; 4,4'-(Pentamethylenedioxy)dibenzamide; 4,4'-(Pentamethylenedioxy)dibenzamidine; 4,4'-Diamidino-.alpha.,.omega.-diphenoxypentane; 4,4'-Diamidinodiphenoxypentane; 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45081	DB00738	DR00085	.	340.4	C19H24N4O2	118	376	2.6	25	4	4	10	"1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)"	C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N	XDRYMKDFEDOLFX-UHFFFAOYSA-N
DG00066	Daptomycin	16134395	"Cidecin; Cubicin; Dapcin; Daptomicina; Daptomycine; Daptomycinum; Deptomycin; Daptomicina [Spanish]; Daptomycine [French]; Daptomycinum [Latin]; LY146032; Cubicin (TN); LY-146032; MK-3009; Daptomycin [USAN:INN:BAN]; Daptomycin (JAN/USAN/INN); N-Decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon1-lactone; N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone; N-decanoyl-L-tryptophyl-D-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone; N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-ox"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:600103	DB00080	.	DR2142	1620.7	C72H101N17O26	702	3480	-5.1	115	22	28	35	"1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1"	CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C	DOAKLVKFURWEDJ-RWDRXURGSA-N
DG00067	Ceftibuten	5282242	"CETB; Cedax; Ceftem; Ceftibutene; Ceftibuteno; Ceftibutenum; Cephem; Ceprifran; Isocef; Keimax; Antibiotic 7432S; S 7432; Sch 39720; Cedax (TN); Ceftibutene [INN-French]; Ceftibuteno [INN-Spanish]; Ceftibutenum [INN-Latin]; Cephalosporin 7432-S; Cis-Ceftibutin; Cis-ceftibuten; Sch-39720; Trans-Ceftibuten; Ceftibuten(USAN/INN); Ceftibuten [USAN:INN:BAN]; (+)-(6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-4-carboxycrotonamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[[2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7432-S; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3510	DB01415	.	.	410.4	C15H14N4O6S2	217	755	-0.3	27	4	10	6	"1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1"	C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\\CC(=O)O)/C3=CSC(=N3)N)C(=O)O	UNJFKXSSGBWRBZ-BJCIPQKHSA-N
DG00068	Framycetin	8378	"Neomycin; neomycin; NEOMYCIN B; Soframycin; Actiline; Mycifradin; Fradiomycin; Soframycine; Framycetinum; Framycetine; Framicetina; Neomas; Fradiomycinum; Antibiotique; Nivemycin; Actilin; Neolate; Enterfram; Myacyne; Framygen; Caswell No 595; Vonamycin powder V; Neomycin B sulfate; Neomin; Neomcin; Fradiomycin B; Neo-Rx; Neomicina [DCIT]; Framycetinum [INN-Latin]; PIMAVECORT; Neobrettin; Neo-Fradin; 119-04-0; Neomycine [INN-French]; Neomycinum [INN-Latin]; Framycetine [INN-French]; Framicetina [INN-Spanish]; USAF CB-19; Endomixin; Fraquinol; Myacine; Myciguent; NMY; Neobiotic; Neomicina; Neomycinum; Tuttomycin; VONAMYCIN; NEOMYCIN AND POLYMYXIN B SULFATES; NEOMYCIN SULFATE; Neomycin solution; Soframycin Ophthalmic; Antibiotic 10676; Antibiotic produced by Streptomyces decaris Neomycin B; Framycetin (INN); Soframycin (TN); Framycetin [INN:BAN:DCF]; Sofra-Tulle (TN); BDG-(1-4)CYY-(5-1)RIB-(3-1)IDG; BDG-(1-4)NEB-(5-1)RIB-(3-1)NED; (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside; (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol; D-Streptamine, O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1->3)-O-beta-D-ribofuranosyl-(1->5)]-O-[2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->4)]-2-deoxy"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7508	DB00994	.	DR2158	614.6	C23H46N6O13	353	872	-9	42	13	19	9	"1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	PGBHMTALBVVCIT-VCIWKGPPSA-N
DG00069	Fluorouracil	3385	"5-Fluorouracil; 51-21-8; fluorouracil; 5-FU; Fluoroplex; Adrucil; Efudex; Carac; Fluracil; Fluoroblastin; 5-fluoropyrimidine-2,4(1H,3H)-dione; Kecimeton; Timazin; Carzonal; Efudix; Arumel; Fluril; Queroplex; Fluracilum; Ulup; 5-Fluoracil; Phthoruracil; Fluro Uracil; 5-Fluoro-2,4(1H,3H)-pyrimidinedione; Ftoruracil; Fluorouracilum; Efurix; Fluri; 5 Fluorouracil; Effluderm (free base); 5-fluoro-1H-pyrimidine-2,4-dione; Fluorouracilo; Fluroblastin; Phtoruracil; 2,4-Dihydroxy-5-fluoropyrimidine; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-; Adrucil; Effluderm; Fluorouracile; Fluoruracil; Fluracedyl; Flurodex; Neofluor; Onkofluor; Ribofluor; Tetratogen; URF; Allergan Brand of Fluorouracil; Biosyn Brand of Fluorouracil; CSP Brand of Fluorouracil; Cinco FU; Dakota Brand of Fluorouracil; Dermatech Brand of Fluorouracil; Dermik Brandof Fluorouracil; Ferrer Brand of Fluorouracil; Fluoro Uracile ICN; Fluorouracil GRY; Fluorouracil Mononitrate; Fluorouracil Monopotassium Salt; Fluorouracil Monosodium Salt; Fluorouracil Potassium Salt; Fluorouracil Teva Brand; Fluorouracile Dakota; Fluorouracile [DCIT]; Fluorouracilo Ferrer Far; Gry Brand of Fluorouracil; Haemato Brand of Fluorouracil; Haemato fu; Hexal Brand of Fluorouracil; ICN Brand of Fluorouracil; Inhibits thymilidate synthetase; Medac Brand of Fluorouracil; Neocorp Brand of Fluorouracil; Onkoworks Brand of Fluorouracil; Ribosepharm Brand of Fluorouracil; Riemser Brand of Fluorouracil; Roche Brand of Fluorouracil; Teva Brand of Fluorouracil; F 6627; F0151; IN1335; U 8953; Adrucil (TN); Carac (TN); Dakota, Fluorouracile; Efudex (TN); Fluoro-Uracile ICN; Fluoro-uracile; Fluoro-uracilo; Fluoroplex (TN); Fluorouracil-GRY; Fluorouracilo [INN-Spanish]; Fluorouracilum [INN-Latin]; Haemato-fu; Ro 2-9757; U-8953; Ro-2-9757; Fluorouracil (JP15/USP/INN); Fluorouracil [USAN:INN:BAN:JAN]; 1-fluoro-1h-pyrimidine-2,4-dione; 2,4-Dioxo-5-fluoropryimidine; 2,4-Dioxo-5-fluoropyrimidine; 5 FU Lederle; 5 FU medac; 5 Fluorouracil biosyn; 5 HU Hexal; 5-FU (TN); 5-FU Lederle; 5-FU medac; 5-Faracil; 5-Fluor-2,4(1H,3H)-pyrimidindion; 5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]; 5-Fluor-2,4-dihydroxypyrimidin; 5-Fluor-2,4-dihydroxypyrimidin [Czech]; 5-Fluor-2,4-pyrimidindiol; 5-Fluor-2,4-pyrimidindiol [Czech]; 5-Fluoracil [German]; 5-Fluoracyl; 5-Fluoro-2,4-pyrimidinedione; 5-Fluoropyrimidin-2,4-diol; 5-Fluoropyrimidine-2,4-dione; 5-Fluorouracil-biosyn; 5-Fluoruracil; 5-Fluoruracil [German]; 5-Ftouracyl; 5-HU Hexal; 5-fluoro uracil; 5FU"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46345	DB00544	DR00153	DR0020	130.08	C4H3FN2O2	58.2	199	-0.9	9	2	3	0	"1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)"	C1=C(C(=O)NC(=O)N1)F	GHASVSINZRGABV-UHFFFAOYSA-N
DG00071	Olmutinib	54758501	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13164	.	.	486.6	C26H26N6O2S	111	712	4.7	35	2	8	7	"1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)"	CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4	FDMQDKQUTRLUBU-UHFFFAOYSA-N
DG00072	Dabrafenib	44462760	"1195765-45-7; Dabrafenib (GSK2118436); Tafinlar; GSK2118436A; UNII-QGP4HA4G1B; GSK 2118436; QGP4HA4G1B; N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide; CHEBI:75045; N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(tert-butyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide; N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide; GSK-2118436A; Dabrafenib [USAN:INN]; GSK2118436"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75045	DB08912	DR00164	.	519.6	C23H20F3N5O2S2	148	817	4.8	35	2	11	6	"1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)"	CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F	BFSMGDJOXZAERB-UHFFFAOYSA-N
DG00073	Cefmetazole	42008	"CMZ; Cefmetazolo; Cefmetazolum; Cefmetazole Monosodium Salt; CS 1170; SKF 83088; U 72791; CS-1170; Cefmetazole [USAN:INN]; Cefmetazolo [INN-Spanish]; Cefmetazolum [INN-Latin]; U-72791A; Cefmetazole (USP/INN); (6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7S)-7-(2-((Cyanomethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, sodium salt; (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-({[(cyanomethyl)thio]acetyl}amino)-7-(methyloxy)-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 6beta-{[(cyanomethyl)sulfanyl]acetamido}-6alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3489	DB00274	DR00539	.	471.5	C15H17N7O5S3	239	818	-0.6	30	2	12	9	"1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	SNBUBQHDYVFSQF-HIFRSBDPSA-N
DG00074	Afatinib	10184653	"Afatinib; Tomtovok; Tovok; BIBW-2992; Tovok (TN); Tovok, BIBW2992; (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide; EGFR inhibitor 2nd gens"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:61390	DB08916	DR00354	.	485.9	C24H25ClFN5O3	88.6	702	3.6	34	2	8	8	"1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1"	CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4	ULXXDDBFHOBEHA-CWDCEQMOSA-N
DG00075	Didanosine	135398739	"Didanosine; 69655-05-6; DIDEOXYINOSINE; Videx; Videx EC; Inosine, 2',3'-dideoxy-; ddIno; Didanosina; Didanosinum; DDI; BMY-40900; UNII-K3GDH6OH08; K3GDH6OH08; Didanosinum [INN-Latin]; Didanosina [INN-Spanish]; CHEBI:490877; 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine; NSC 612049; 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one; 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE; NCGC00159514-02; NCGC00090691-03; DRG-0016; BMY 40900; DSSTox_CID_2927"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:490877	DB00900	DR01175	.	236.23	C10H12N4O3	88.7	348	-1.2	17	2	5	2	"1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1"	C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O	BXZVVICBKDXVGW-NKWVEPMBSA-N
DG00076	Fidaxomicin	10034073	Dificid (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB08874	DR00545	.	1058	C52H74Cl2O18	267	1970	6.4	72	7	18	15	"1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1"	CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\\C)\\C)[C@@H](C)O)\\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\\C	ZVGNESXIJDCBKN-UUEYKCAUSA-N
DG00077	Lumefantrine	6437380	"Benflumetol; Coartem; Dl-Benflumelol; Lumefantrine (INN); Lumefantrine [INN:BAN]; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha((dibutylamino)methyl)fluorene-4-methanol; (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol; 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol; 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol; 2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol; 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:156095	DB06708	.	DR0992	528.9	C30H32Cl3NO	23.5	671	8.7	35	1	2	10	"1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-"	CCCCN(CCCC)CC(C1=CC(=CC\\2=C1C3=C(/C2=C/C4=CC=C(C=C4)Cl)C=C(C=C3)Cl)Cl)O	DYLGFOYVTXJFJP-MYYYXRDXSA-N
DG00078	Cefixime	5362065	"CFIX; Cefixima; Cefiximum; Denvar; Necopen; Tricef; CL-284635; FK-027; FR-17027; Ofex (TN); Suprax (TN); Cefixime (JP15/USP/INN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(carboxymethyl)oxy]imino}acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6r,7r)-7-[-2-(2-amino-thiazol-4-yl)-2-carboxymethoxyimino-acetylamino]-8-oxo-3-vinyl-5-thia-1-aza-b; 7beta-{(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido}-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:472657	DB00671	DR00546	.	453.5	C16H15N5O7S2	238	861	-0.7	30	4	12	8	"1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1"	C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O	OKBVVJOGVLARMR-QSWIMTSFSA-N
DG00079	Micafungin	477468	Mycamine; FK463; FK-463; Mycamine (TN); Mycamine(TM)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:600520	DB01141	.	DR1083	1270.3	C56H71N9O23S	519	2580	-1.6	89	16	24	18	"1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O	PIEUQSKUWLMALL-YABMTYFHSA-N
DG00080	Meticillin	6087	"Dimocillin; MII; Metacillin; Methicillin; Methicillinum; Methycillin; Meticilina; Meticillina; Meticilline; Meticillinum; Staphcillin; Methicillin [BAN]; Meticillin [INN]; Meticillina [DCIT]; BRL 1241; Methicillin Monohydrate, Monosodium Salt; Meticilina [INN-Spanish]; Meticilline [INN-French]; Meticillinum [INN-Latin]; Penicillin, Dimethoxyphenyl; (2,6-Dimethoxyphenyl)penicillin; (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2,6-dimethoxyphenyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(2,3-Dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 6-(2,6-Dimethoxybenzamido)penicillanic acid; 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylic acid; 6beta-(2,6-dimethoxybenzamido)penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6827	DB01603	.	.	380.4	C17H20N2O6S	131	600	1.2	26	2	7	5	"1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C	RJQXTJLFIWVMTO-TYNCELHUSA-N
DG00081	Bleomycin	5360373	BLM; Blenoxane; Bleo; Bleocin; Bleogin; Bleomicin; Bleomicina; Bleomycine; Bleomycins; Bleomycinum; Bleomycin sulfate; Bleomycin a2; Pingyangmyvin A2; Zhengguangmycin A2; Zhengguangmycin A2 [Chinese]; Blenoxane (TN); Bleomicina [INN-Spanish]; Bleomycin A(2); Bleomycin A2 & Bleomycin B2; Bleomycin B(2); Bleomycine [INN-French]; Bleomycinum [INN-Latin]; NDC 0015-3010; N(1)-[3-(dimethylsulfonio)propyl]bleomycinamide; N1-(3-(Dimethylsulfonio)propyl)bleomycinamide	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00290	DR00409	DR0217	1415.6	C55H84N17O21S3+	685	2580	-7.5	96	20	31	36	"1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29 ,30 ,34-,35-,36-,37 ,38 ,39 ,40 ,41-,42 ,43 ,53 ,54 /m0/s1"	CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	OYVAGSVQBOHSSS-WXFSZRTFSA-O
DG00082	Tesevatinib	10458325	"Tesevatinib; XL647; XL-647; 781613-23-8; EXEL-7647; UNII-F6XM2TN5A1; KD-019; XL 647; F6XM2TN5A1; 651031-01-5; 7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine; Tesevatinib [USAN:INN]; EXEL 7647; 874286-84-7; KD 019; 1000599-06-3; SCHEMBL721994; SCHEMBL721993; SCHEMBL721992; C24H25Cl2FN4O2; GTPL7944; CHEMBL3544983; EX-A172; QCR-153; MolPort-044-724-458; BCP23438; ZINC38912363; 2809AH; AKOS027255007"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11973	.	.	491.4	C24H25Cl2FN4O2	59.5	652	5.8	33	1	7	6	"1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13 ,14-,15+"	CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC	HVXKQKFEHMGHSL-GOOCMWNKSA-N
DG00083	Cycloheximide	6197	Naramycin A; NSC 185; FT 3422-2; NM-MCD 80	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:27641	.	DR01367	.	281.35	C15H23NO4	83.5	404	0.5	20	2	4	3	"1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1"	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	YPHMISFOHDHNIV-FSZOTQKASA-N
DG00084	Posaconazole	468595	"Noxafil; Spriafil; Posaconazole SP; Posaconazole in combination with MGCD290; SCH56592; Sch 56592; X2N; Noxafil (TN); Noxafil, Posaconazole; SCH-56592; Posaconazole (USAN/INN); Posaconazole [USAN:INN:BAN]; 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one; 4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)-1-((1S,2S)-1-ethyl-2-hydroxypropyl)-delta(sup 2)-1,2,4-triazolin-5-one; 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one; 4-[4-[4-[4-[[(5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64355	DB01263	DR00111	DR1316	700.8	C37H42F2N8O4	112	1170	4.6	51	1	11	12	"1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1"	CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F	RAGOYPUPXAKGKH-XAKZXMRKSA-N
DG00085	Ceftriaxone	5479530	"Biotrakson; CTRX; Cefatriaxone; Ceftriaxon; Ceftriaxona; Ceftriaxonum; Ceftriazone; Longacef; Longaceph; Rocefin; Rocephin; Rocephine; CEFTRIAXONE SODIUM; Ceftriaxone intravenous; Ro 139904; Ceftriaxona [INN-Spanish]; Ceftriaxone (INN); Ceftriaxone (TN); Ceftriaxone [USAN:JAN]; Ceftriaxone, Disodium Salt; Ceftriaxonum [INN-Latin]; DRG-0071; Ro13-9904; Rocephin (TN); Ceftriaxone, Disodium Salt, Hemiheptahydrate; Ro-13-9904; (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-as-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), sesquaterhydrate; (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29007	DB01212	DR00553	DR2655	554.6	C18H18N8O7S3	288	1110	-1.3	36	4	13	8	"1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1"	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	VAAUVRVFOQPIGI-SPQHTLEESA-N
DG00086	Tobramycin	36294	"Aktob; Brulamycin; Distobram; Gotabiotic; NEBRAMYCIN; Nebcin; Nebicin; Obracin; Obramycin; Sybryx; TOY; Tenebrimycin;Tenemycin; Tobacin; Tobi; Tobracin; Tobradex; Tobradistin; Tobralex; Tobramaxin; Tobramicin; Tobramicina; Tobramitsetin; Tobramycetin; Tobramycine; Tobramycinum; Tobrased; Tobrasone; Tobrex; Deoxykanamycin B; Nebramycin VI; TOBRAMYCIN SULFATE; Tobramycin for Inhalation; Tobramycin solution for inhalation; A 12253A; Lilly 47663; NF 6; Nebramycin 6; Nebramycin factir 6; Nebramycin factor 6; Nebcin (Sulfate); SPRC-AB01; TobraDex (TN); Tobracin (TN); Tobramicina [INN-Spanish]; Tobramycin, Free Base; Tobramycine [INN-French]; Tobramycinum [INN-Latin]; Tobrex (TN); Tobramycin (JP15/USP); Tobramycin[USAN:BAN:INN:JAN]; TOA-(1-6)2TB-(4-1)TOC; TOA-(1-6)TOB-(4-1)TOC; 1-Epitobramycin; 3'-Deoxykanamycin B"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28864	DB00684	.	DR1606	467.5	C18H37N5O9	268	609	-6.2	32	10	14	6	"1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	NLVFBUXFDBBNBW-PBSUHMDJSA-N
DG00087	Progesterone	5994	"Progesterone; 57-83-0; Agolutin; Pregn-4-ene-3,20-dione; Luteohormone; Crinone; 4-Pregnene-3,20-dione; Utrogestan; Syngesterone; Progestin; Luteol; Corpus luteum hormone; Progesterol; Progesteronum; Pregnenedione; Glanducorpin; Prometrium; Corlutin; Cyclogest; Progestron; Gestormone; Progestone; Gestone; Progestasert; Progestronol; Methylpregnone; Hormoflaveine; Syngestrets; Proluton; Progekan; Nalutron; Lutoform; Gynlutin; Gesterol; Fologenon; Corporin; Corlutina; Syntolutan; Prolidon; Membrettes; Lutocyclin; Luteodyn; Lucorteum; Corluvite; LPCN-1107; Progesterone (oral, preterm labor); Progesterone (oral, preterm labor), Lipocine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17026	DB00396	DR00281	DR1346	314.5	C21H30O2	34.1	589	3.9	23	0	2	1	"1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1"	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	RJKFOVLPORLFTN-LEKSSAKUSA-N
DG00088	Irinotecan	60838	"Biotecan; Camptosar; Irinotecanum; IRINOTECAN HYDROCHLORIDE Trihydrate; Irinotecan Hcl; Irinotecan hydrochloride; CP0; Biotecan (TN); Campto (TN); Camptosar (TN); Irinotecan (INN); Irinotecan [INN:BAN]; Irinotecanum [INN-Latin]; IRINOTECAN, CPT-11; Camptosar, Campto, CPT-11, Irinotecan; (+)-Irinotecan; (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE; (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate; Irinotecan (TOPO1 inhibitor); Onivyde"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:80630	DB00762	DR00112	.	586.7	C33H38N4O6	113	1200	3	43	1	8	5	"1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7	UWKQSNNFCGGAFS-XIFFEERXSA-N
DG00089	Efavirenz	64139	"EFV; EFZ; Eravirenz; Stocrin; Sustiva; DMP 266; L 743726; DMP-266; L-741211; L-743725; L-743726; Stocrin (TN); Strocin (TM); Sustiva (TM); Sustiva (TN); Efavirenz (JAN/INN); L-743,726; Zoxazin-2-one; Efavirenz, (S)-isomer; Met-SDF-1.beta. & Efavirenz; Met-Stromal Cell-derived Factor-1.beta. (Human) & Efavirenz; (-)-Efavirenz; (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (4S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-ben; (S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-(9; 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:119486	DB00625	DR00412	DR0560	315.67	C14H9ClF3NO2	38.3	519	4	21	1	5	1	"1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1"	C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F	XPOQHMRABVBWPR-ZDUSSCGKSA-N
DG00090	Hydroxycamptothecin	97226	"10-Hydroxycamptothecin; 19685-09-7; (S)-10-Hydroxycamptothecin; Hydroxycamptothecin; 10-hydroxycamptothecine; 10-Hydroxy camptothecin; Hydroxycamptothecine; Camptothecin, hydroxy-; 10-Hydroxy-Camptothecin; (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Camptothecin, 10-hydroxy-; Camptothecine, 10-hydroxy-; UNII-9Z01632KRV; NSC 107124; HCPT; (4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (S)-10-Hydroxycamptothecin hydrate; NSC107124"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:81395	DB12385	DR01489	.	364.4	C20H16N2O5	100	774	0.6	27	2	6	1	"1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O	HAWSQZCWOQZXHI-FQEVSTJZSA-N
DG00091	Atazanavir	148192	"198904-31-3; Latazanavir; Zrivada; Reyataz; BMS-232632; BMS 232632; Atazanavir [INN:BAN]; CGP 73547; Atazanavir Base; UNII-QZU4H47A3S; CGP-73547; HSDB 7339; Reyataz (TN); ATV; QZU4H47A3S; CHEMBL1163; CHEBI:37924; (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER; NCGC00182552-01; AK174307; DSSTox_CID_28617; DSSTox_RID_82887; DSSTox_GSID_48691; DR7; atazanavirum; ATZ; Atazanavirum; Atazanavir (INN); Reyataz, BMS-232632, Atazanavir; Reyataz(TM) (*1:1 sulfate*); Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate; METHYL [(1S,4S,5S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,7,8,11-TETRAAZATETRADEC-1-YL]CARBAMATE; Methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; (2S)-N-(3-{[(2S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1S,2S)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37924	DB01072	DR00413	DR0150	704.9	C38H52N6O7	171	1110	5.6	51	5	9	18	"1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1"	CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	AXRYRYVKAWYZBR-GASGPIRDSA-N
DG00092	Nalidixic acid	4421	"Betaxina; Cybis; Dixiben; Dixinal; Eucistin; Innoxalon; Jicsron; Kusnarin; Nalidicron; Nalidixan; Nalidixane; Nalidixate; Nalidixic; Nalidixin; Nalitucsan; Nalix; Nalurin; Narigix; Naxuril; NegGram; Negram; Nevigramon; Nicelate; Nogram; Poleon; Sicmylon; Specifen; Specifin; Unaserus; Uralgin; Uriben; Uriclar; Urisal; Urodixin; Uroman; Uroneg; Uronidix; Uropan; Wintomylon; Wintron; Acide nalidixico; Acide nalidixico [Italian]; Acide nalidixique; Acide nalidixique [French]; Acido nalidissico; Acido nalidissico [DCIT]; Acido nalidixico; Acidum nalidixicum; NALIDIXATE SODIUM; Naladixic acid; Naldixic acid; Nalidic acid; Nalidixinic acid; Nalidixic acid USP27; WIN 183203; Acid, Nalidixic; Acide nalidixique [INN-French]; Acido nalidixico [INN-Spanish]; Acidum nalidixicum [INN-Latin]; N-1200; NegGram (TN); Neggram (TN); Sodium Nalidixic Acid, Anhydrous; Sodium Nalidixic Acid, Monohydrate; Sodium,Nalidixate; WIN 18,320; WIN-18320; Wil 18,320; Wintomylon (TN); ZERO/002632; WIN-18320 (TN); Nalidixic acid (JP15/USP/INN); Nalidixic acid [USAN:INN:BAN:JAN]; Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico; Acide 1-etil-7-metil-1,8-naftiridin-4-one-3-carbossilico [Italian]; 1,4-Dihydro-1-ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid; 1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure; 1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure [German]; 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxilic acid; 1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid; 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; 1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-ca rboxylic acid; 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid; 3-Carboxy-1-ethyl-7-methyl-1,8-naphthidin-4-one; 3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100147	DB00779	.	DR2296	232.23	C12H12N2O3	70.5	378	1.4	17	1	5	2	"1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)"	CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O	MHWLWQUZZRMNGJ-UHFFFAOYSA-N
DG00093	Arbekacin	68682	Habekacin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37922	DB06696	.	DR0130	552.6	C22H44N6O10	297	757	-6.8	38	11	15	10	"1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1"	C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N	MKKYBZZTJQGVCD-XTCKQBCOSA-N
DG00094	Netilmicin	441306	"NTL; Netilmicina; Netilmicine; Netilmicinum; Netilyn; Netira; Nettacin; Vectacin; NETILMICIN SULFATE; Sch 20569; Netilmicin (INN); Netilmicin [INN:BAN]; Netilmicina [INN-Spanish]; Netilmicine [INN-French]; Netilmicinum [INN-Latin]; Netira (TN); Nettacin (TN); Sch-20569; O-(2,6-Diamino-2,3,4,6-tetradesoxy-alpha-glycero-4-hexenopyranosyl-(1-4)-O-(3-desoxy-4-C-methyl-3-methylamino-beta-L-arabinopyranosyl-(1-6)-2-desoxy-N1-ethyl-D-streptamin; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; (2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 1-N-Aethylsisomicin; 1-N-Ethylsisomicin; 2-[4-amino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 4-amino-3-{[3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-6-(ethylamino)-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)pentopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00955	.	DR1139	475.6	C21H41N5O7	200	673	-4.2	33	8	12	8	"1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1"	CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N	CIDUJQMULVCIBT-MQDUPKMGSA-N
DG00095	Tamoxifen	2733526	"Tamoxifen; 10540-29-1; trans-Tamoxifen; Crisafeno; Soltamox; Tamoxifene; Diemon; Tamoxifenum; Tamoxifeno; Tamizam; Istubol; Tamoxen; Citofen; Oncomox; Valodex; Retaxim; Tamoxifene [INN-French]; Tamoxifenum [INN-Latin]; Tamoxifeno [INN-Spanish]; Tamoxifen (Z); Tamoxifen and its salts; Tamoxifen [INN:BAN]; ICI-46474; ICI 47699; TRANS FORM OF TAMOXIFEN; CCRIS 3275; UNII-094ZI81Y45; HSDB 6782; CHEMBL83; EINECS 234-118-0; 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; Citofen; Nourytam; Novaldex; Tamone; Tamoxifeno;Tamoxifenum; Tomaxithen; Gen-Tamoxifen; Istubal (TN); Nolvadex (TN); Nolvadex-D; Novo-Tamoxifen; Pms-Tamoxifen; Tamoplex (TN); Tamoxifen (INN); Tamoxifen (TN); Trans-Tamoxifen; Valodex (TN); TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1)); Trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine; (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene; (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine; (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC); (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE; (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine; 1-p-beta-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene; 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine; Tamoxifen (Hormonal therapy); [3H]tamoxifen"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41774	DB00675	DR00193	.	371.5	C26H29NO	12.5	463	7.1	28	0	2	8	"1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-"	CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3	NKANXQFJJICGDU-QPLCGJKRSA-N
DG00096	Quizartinib	24889392	Quizartinib	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90217	DB12874	.	.	560.7	C29H32N6O4S	134	849	5.6	40	2	8	8	"1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)"	CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)C3=CN4C5=C(C=C(C=C5)OCCN6CCOCC6)SC4=N3	CVWXJKQAOSCOAB-UHFFFAOYSA-N
DG00098	Halofantrine	37393	"Halfan; Halofantrino; HALOFANTRINE HYDROCHLORIDE; Halofantrine HCl; Halofantrine Hydrochloride [USAN]; Halofantrine [USAN]; Halofantrino [Spanish]; WR 171669; Dl-WR 171669; Halfan (TN); Halofantrine hydrochloride (USAN); WR 171,699; WR-171669; WR-171699; SK&F-102866; WR-171,669; (+-)-Halofantrine hydrochloride; (1)-Halofantrine; 1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-9-phenanthrene-methanol; 1,3-Dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-9-phenathrenemethanol; 1,3-Dichloro-6-trifluoromethyl-9-(3-(dibutylamino)-1-hydroxypropyl)phenanthrene HCl; 1,3-Dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-9-phenanthrenemethanol hydrochloride; 1,3-Dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)phenanthren-1-methanol hydrochloride; 1-(1,3-Dichloro-6-trifluoromethyl-9-phenanthryl)-3-(di-n-butylamino)propanol hydrochloride; 1-(1,3-dichloro-6-trifluoromethyl-9-phenanthryl)-3-di(n-butyl)aminopropanol HCl; 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl)propan-1-ol hydrochloride; 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol; 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol hydrochloride; 9-(3-(dibutylamino)-1-hydroxypropyl)-1,3-dichloro-6-(trifluoromethyl)phenanthrene hydrochloride; 9-Phenanthrenemethanol, 1,3-dichloro-.alpha.-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-(1); 9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-, hydrochloride; 9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)-,hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94392	DB01218	DR00770	DR0799	500.4	C26H30Cl2F3NO	23.5	584	8.6	33	1	5	10	"1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3"	CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O	FOHHNHSLJDZUGQ-UHFFFAOYSA-N
DG00099	Solamargine	73611	Curaderm (TN)	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:9185	DB12700	.	.	868.1	C45H73NO15	239	1610	1.1	61	9	16	7	"1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1"	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1	MBWUSSKCCUMJHO-ZGXDEBHDSA-N
DG00100	Sulphadoxine	17134	"2447-57-6; Sulforthomidine; Fanasil; Sulphormethoxine; 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; Sulfadoxinum; Sulfadoxina; Sulfadoxin; Fanzil; Solfadossina; Ro 4-4393; Solfadossina [DCIT]; Sulfadoxinum [INN-Latin]; Sulfadoxina [INN-Spanish]; 4-Sulfanilamido-5,6-dimethoxypyrimidine; 4-Amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-; WR 4873; N'-(5,6-Dimethoxy-4-pyrimidyl)sulfanilamide; UNII-88463U4SM5; Orthosulfin; Sulformethoxine; Sulformetoxine; Sulphormetoxin; Sulphorthodimethoxine; WR 4073; Ro-4-4393; Sanasil: Sulfadoxine: Sulformetoxin; Sulfadoxine (JAN/USP/INN); Sulfadoxine [USAN:INN:BAN:JAN]; N1-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; N(sup 1)-(5,6-Dimethoxy-4-pyrimidinyl)sulfanilamide; 4-amino-N-[5,6-bis(methyloxy)pyrimidin-4-yl]benzenesulfonamide; 6-(4-Aminobenzenesulfonamido)-4,5-dimethoxypyrimidine; RS-1653"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9329	DB01299	.	.	310.33	C12H14N4O4S	125	420	0.7	21	2	8	5	"1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)"	COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N	PJSFRIWCGOHTNF-UHFFFAOYSA-N
DG00101	Erlotinib	176870	"Erlotinin; Tarceva; Erlotinib Base; OSI 744; R 1415; CP 358,774; CP-358774; Erlotinib(Tarceva); Tarceva (TN); CP-358,774; Erlotinib, OS-774; N-(3-ethynylphenyl)[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-Quinazolinamine; [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE; [6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine; 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline; 4-[(3-ethynylphenyl)amino]-6,7-bis(2-methoxyethoxy)quinazoline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:114785	DB00530	DR00558	.	393.4	C22H23N3O4	74.7	525	3.3	29	1	7	11	"1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)"	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	AAKJLRGGTJKAMG-UHFFFAOYSA-N
DG00102	Teriflunomide	54684141	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68540	DB08880	DR00092	.	270.21	C12H9F3N2O2	73.1	426	3.3	19	2	6	2	"1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-"	C/C(=C(\\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O	UTNUDOFZCWSZMS-YFHOEESVSA-N
DG00103	Curcumin	969516	"Curcumin; 458-37-7; Diferuloylmethane; Natural yellow 3; Turmeric yellow; Turmeric; Curcuma; Kacha haldi; Gelbwurz; Indian saffron; Curcumin I; Souchet; Halud; Halad; Haidr; Haldar; Merita earth; Yellow Ginger; Terra Merita; Yellow Root; Safran d'Inde; Yo-Kin; Golden seal; Curcuma oil; Orange Root; Oils, curcuma; CI Natural Yellow 3; Curcumine; Hydrastis; Indian turmeric; Yellow puccoon; Turmeric extract; Diferaloylmethane; Kurkumin [Czech]; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; Tumeric yellow; Turmeric oil"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:3962	DB11672	DR00559	DR1941	368.4	C21H20O6	93.1	507	3.2	27	2	6	8	"1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+"	COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O	VFLDPWHFBUODDF-FCXRPNKRSA-N
DG00104	Lividomycin A	72394	Lividomycin A; Lividomycin; Quintomycin B; Mannosyldeoxyparomomycin; Antibiotic 503-2; Antibiotic SF 767 A; Lividomycinum; Lividomycine; 36441-41-5; Lividomicina; SF 767 A; Livodymycin; Lividomycin [INN:DCF]; Lividomycinum [INN-Latin]; Lividomycine [INN-French]; Lividomicina [INN-Spanish]; UNII-A606AJ494W; BRN 6763509; CHEBI:71961; Lividomycin A sulfate salt; A606AJ494W	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:71961	DB04728	.	.	761.8	C29H55N5O18	406	1130	-9.9	52	15	23	12	"1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N	DBLVDAUGBTYDFR-SWMBIRFSSA-N
DG00105	Lamivudine	60825	"Lamivudine; 134678-17-4; Epivir; Zeffix; Heptovir; Epivir-HBV; Hepitec; Heptodin; BCH-189; 3TC; Heptivir; CIS-LAMIVUDINE; (-)-2'-Deoxy-3'-thiacytidine; 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; GR-109714X; 3'-Thia-2',3'-dideoxycytidine; (-)-BCH-189; Lamivudine [USAN:BAN:INN]; GR109714X; beta-L-3'-Thia-2',3'-dideoxycytidine; beta-L-2',3'-Dideoxy-3'-thiacytidine; (-)NGPB-21; 136891-12-8; 2',3'-Dideoxy-3'-thiacytidine; (-)-BCH 189; UNII-2T8Q726O95; HSDB 7155; GR 109714X; DTHC; LMV; Lamivir; Zefix; BCH 189; BCH189; BCH-790; DRG-0126; Epivir (TN); Epivir(TM); GG-714; HHA & 3TC; HHA & Lamivudine; Heptovir (TN); Lamivudine & GNA; Zeffix (TN); Epivir-HBV (TN); Lamivudine [USAN:INN:BAN]; Lamivudine (JAN/USP/INN); Lamivudine, (2S-cis)-Isomer; Beta-L-2',3'-Dideoxy-3'-thiacytidine; Beta-L-3'-Thia-2',3'-dideoxycytidine; Beta-L-(-)-2',3'-dideoxy-3'-thiacytidine & Sho-Saiko-To; (+/-)-(Cis)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (+/-)-3TC; (+/-)-BCH-189; (+/-)-SddC; (-)-(2'R,5'S)-1-[2'-Hydroxymethyl-5'-(1,3-oxathiolanyl)]cytosine; (-)-1-((2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; (-)-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; (-)-NGPB-21; (-)-SddC; (-)-beta-L-2',3'-Dideoxy-3'-thiacytidine; (2R,cis)-4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2',3' Dideoxy 3' thiacytidine; 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (+/-)-(Cis); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Galanthus Nivalis Agglutinin (GNA); 2(1H)-Pyrimidinone, 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl], (-)-(2R,5S) & Hippeastrum hybrid agglutinin(HHA); 3TC & GNA; 3TC & SST; 3TC (AIDS INITIATIVE) (AIDS INITIATIVE); 3TC and NV-01; 3TC, Zeffix, Heptovir, Epivir, Epivir-HBV, Lamivudine; 4-Amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; Efavirenz/lamivudine/tenofovir fumarate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63577	DB00709	DR00116	DR0912	229.26	C8H11N3O3S	113	331	-0.9	15	2	4	2	"1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1"	C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	JTEGQNOMFQHVDC-NKWVEPMBSA-N
DG00106	Linezolid	441401	"Linezlid; ZLD; Zyvox; Zyvoxa; Zyvoxam; Zyvoxid; PNU 100766; U 100766; Linezolid & VRC3375; Linezolid [USAN:INN]; PNU-100766; U-100766; Zyvox (TN); Zyvoxam (TN); Zyvoxid (TN); NDA 21-130 Zyvox (linezolid tablets); NDA 21-131 Zyvox for injection (linezolid injection); NDA 21-132 Zyvox oral suspension (linzolid oral suspension); Linezolid (JAN/USAN/INN); PNU-100766, U-100766, Zyvoxid, Zyvoxam, Linezolid; N-((3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-(((S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide; N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide; N-({5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, N-[[(S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; (S)-N-[[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide; 111GE017"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63607	DB00601	DR00748	.	337.35	C16H20FN3O4	71.1	472	0.7	24	1	6	4	"1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1"	CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	TYZROVQLWOKYKF-ZDUSSCGKSA-N
DG00107	Isavuconazole	6918485	"Isavuconazole; 241479-67-4; isavuconazol; BAL 4815; BAL-4815; UNII-60UTO373KE; Isavuconazole [INN]; 60UTO373KE; Isavuconazole(BAL-4815; RO-0094815); RO 0094815; CHEBI:85979; Isavuconazole (INN); RO-0094815; 4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile; 1286730-05-9; 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85979	DB11633	.	DR0883	437.5	C22H17F2N5OS	116	657	3.5	31	1	8	6	"1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1"	C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O	DDFOUSQFMYRUQK-RCDICMHDSA-N
DG00108	Arsenic trioxide	14888	Arsenox; Arsentrioxide; Naonobin; Trisenox; Trixenox; Acide arsenieux [French]; Anhydride arsenieux [French]; Arseni trioxydum; Arsenic blanc [French]; Arsenic trioxide [JAN]; Arsenigen saure [German]; Arsenious Acid Anhydride; Arsenious trioxide; Arsenous oxide [ISO]; Oxyde Arsenieux; Arsenic trioxide [UN1561] [Poison]; Arsenic oxide (As2O3); Arsenic(III) trioxide; Oxyde Arsenieux [ISO-French]; Trisenox (TN); Arsenic trioxide (JP15/USAN); Arsenic(3+)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01169	DR00119	.	197.84	As2O3	3	0	.	5	0	3	0	1S/2As.3O/q2*+3;3*-2	[O-2].[O-2].[O-2].[As+3].[As+3]	QTLQKAJBUDWPIB-UHFFFAOYSA-N
DG00109	Doxorubicin	31703	"Doxorubicin; 23214-92-8; Doxil; Doxorubicine; Adriablastin; Doxorubicinum; 14-Hydroxydaunomycin; 14-Hydroxydaunorubicine; Doxorubicina; Adriamycin semiquinone; Doxorubicinum [INN-Latin]; Doxorubicine [INN-French]; Doxorubicina [INN-Spanish]; Myocet; FI 106; Doxorubicin [USAN:INN:BAN]; CCRIS 739; NDC 38242-874; HSDB 3070; UNII-80168379AG; NCI-C01514; EINECS 245-495-6; CHEMBL53463; CHEBI:28748; 5,12-Naphthacenedione,; ADM; ADR; ThermoDox; Aerosolized Doxorubicin; Doxorubicin citrate; RDF Rubex; Conjugate of doxorubicin with humanized monoclonal antibody LL1 against CD74; DM2; JT9100000; Adiblastine (hydrochloride salt); Adr iablatina (hydrochloride salt); Adriablastine (hydrochloride salt); Adriablatina (hydrochloride salt); Adriacin (hydrochloride salt); Adriamycin PFS (TN); Adriamycin PFS (hydrochloride salt); Adriamycin RDF (TN); Adriamycin RDF (hydrochloride salt); Adriblastina (TN); Adriblastina (hydrochloride salt); Adriblatina (hydrochloride salt); Caelyx (TN); Conjugate of doxorubicin with monoclonal antibody P4/D10 against GP120; DOX-SL; Doxorubicin hydrochloride (hydrochloride salt); Doxorubicin-hLL1; Doxorubicin-hLL1 conjugate; Farmablastina (hydrochloride salt); Hydroxydaunomycin hydrochlor ide (hydrochloride salt); Hydroxydaunomycin hydrochloride (hydrochloride salt); Hydroxydaunorubicin hydrochloride (hydrochloride salt); Myocet (TN); Rubex (TN); Rubex (hydrochloride salt); TLC D-99; Doxorubicin (USAN/INN); Doxorubicin-P4/D10; Doxorubicin-P4/D10 conjugate; Cantide + adriamycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28748	DB00997	DR00301	DR0546	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-TZSSRYMLSA-N
DG00112	Cytarabine	6253	"Alexan; AraC; Arabinocytidine; Arabinofuranosylcytosine; Arabinosylcytosine; Arabitin; Aracytidine; Aracytin; Aracytine; Arafcyt; Citarabina; Cytarabin; Cytarabina; Cytarabinoside; Cytarabinum; Cytarbel; Cytonal; Cytosar; Cytosinearabinoside; DepoCyte; Depocyt; Erpalfa; Iretin; Spongocytidine; Tarabine; Udicil; Arabinosyl Cytosine; Cytarabine liposome injection; Cytosine arabinofuranoside; Cytosine arabinose; Cytosine arabinoside; AR3; BTB15125; CHX 3311; U 19920A; Ara-C; Ara-Cytidine; Beta-Ara C; Beta-Arabinosylcytosine; Beta-cytosine arabinoside; Citarabina [INN-Spanish]; Cytarabinum [INN-Latin]; Cytosar-U; Cytosine arabinoside (VAN); Depocyt (TN); Depocyt (liposomal); Intrathecal (injected into the spinal fluid) DepoCyt; U-19920; Beta-D-Arabinosylcytosine; Cytosar-U (TN); Cytosine beta-D-arabinofuranoside; Cytosine beta-D-arabinofuranoside hydrochloride; Cytosine beta-D-arabinoside; Cytosine-beta-arabinoside; Intrathecal cytarabine (also known as ara-C); U-19,920; CYTARABINE (SEE ALSO CYTARABINE HYDROCHLORIDE 69-74-9); Cytarabine (JP15/USP/INN); Cytarabine [USAN:INN:BAN:JAN]; Cytosine 1-beta-D-arabinofuranoside; Cytosine, beta-D-arabinoside; Cytosine-beta-D-arabinofuranoside; Cytosine-1-beta-D-arabinofuranoside; Ara-C, Cytosine Arabinoside, Cytosar-U, Cytarabine; (beta-D-Arabinofuranosyl)cytosine; 1-.beta.-D-arabinofuranosyl-cytosine; 1-Arabinofuranosylcytosine; 1-beta-D-Arabinofaranosylcytosine; 1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone; 1-beta-D-Arabinofuranosylcytosine; 1-beta-D-Arabinofuranosylcytosine, Cytosine Arabinoside; 1-beta-D-Arabinosylcytosine; 1beta-Arabinofuranasylcytosine; 1beta-D-Arabinofuranosylcytosine; 1beta-D-Arabinosylcytosine; 2(1H)-Pyrimidinone, 4-amino-1-D-arabinofuranosyl-[CAS]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin [Czech]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine; 4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon [Czech]; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone; 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28680	DB00987	DR00416	DR0398	243.22	C9H13N3O5	129	383	-2.1	17	4	5	2	"1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	UHDGCWIWMRVCDJ-CCXZUQQUSA-N
DG00115	Lapatinib	208908	"FMM; Tycerb; Lapatinib Ditosylate; Lapatinib [INN]; Lapatinib tosilate hydrate; GSK 572016; GSK572016; GW 572016; GW 572016X; GW572016; Lapatinib (INN); Tykerb (TN); Lapatinib, Tykerb, GW572016; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE; N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine; N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine; 4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline; Lapatinib (ERBB2 inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49603	DB01259	DR00120	.	581.1	C29H26ClFN4O4S	115	898	5.1	40	2	9	11	"1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)"	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	BCFGMOOMADDAQU-UHFFFAOYSA-N
DG00116	Cabotegravir	54713659	"Cabotegravir; 1051375-10-0; GSK1265744; UNII-HMH0132Z1Q; GSK744; GSK1265744A; GSK-1265744; HMH0132Z1Q; Cabotegravir (GSK744, GSK1265744); CAB; Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-;Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide, N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-, (3S,11aR)-; Cabotegravir [USAN:INN]; GSK744 LAP; GSK744 LA; S/GSK1265744; GSK 744; 744 LA; GSK 1265"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11751	.	DR1829	405.4	C19H17F2N3O5	99.2	814	2.1	29	2	8	3	"1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1"	C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	WCWSTNLSLKSJPK-LKFCYVNXSA-N
DG00117	Minocycline	54675783	"Borymycin; MINO; MIY; Minociclina; Minociclinum; Minocin; Minocline; Minocyclin; Minocyclinum; Minocycline Monohydrochloride; CL 59806; Lactoferrin B & Minocycline; Lactoferrin H & Minocycline; Minociclina [INN-Spanish]; Minocin (Hydrochloride); Minocin (TN); Minocyclinum [INN-Latin]; Vectrin (Hydrochloride); CRL-1605 & Minocycline; Minocycline (USAN/INN); Minocycline [USAN:BAN:INN]; (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE; 4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; 7-Dimethylamino-6-demethyl-6-deoxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50694	DB01017	.	.	457.5	C23H27N3O7	165	971	-0.6	33	5	9	3	"1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1"	CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C	FFTVPQUHLQBXQZ-KVUCHLLUSA-N
DG00118	Tetracycline	54675776	"Amycin; Biocycline; Bristaciclin; Bristaciclina; Bristacycline; Ciclibion; Copharlan; Cyclomycin; Cytome; Dumocyclin; Enterocycline; Medocycline; Resteclin; Robitet; Sanclomycine; Tetrachel; Veracin; Bristaciclin alpha; Cefracycline suspension; Component of Tetrastatin; Sumycin syrup; Tetracycline Free Base; Tetracycline I; Tetracycline II; Tetracycline Monohydrochloride; Achromycin (naphthacene derivative); Achromycin, naphthacene derivative; Centet (base); Lemtrex (base); Liquamycin (Veterinary); Liquamycin, veterinary; Panmycin (TN); Piracaps (base); Polycycline (VAN); Polycycline (antibiotic); Polycycline, antibiotic; SK-Tetracycline; Sumycin (TN); T-125; Tetra-Co; Tetraciclina [INN-Spanish]; Tetracycline & VRC3375; Tetracycline (internal use); Tetracyclinum [INN-Latin]; Tetracyn (TN); Vetquamycin-324 (free base); Tetracycline (JAN/USP/INN); Tetracycline [USAN:INN:BAN:JAN]; Methyl-1,11-dioxo-2-naphthacenecarboxamide; 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27902	DB00759	DR00127	DR1568	444.4	C22H24N2O8	182	971	-2	32	6	9	2	"1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	NWXMGUDVXFXRIG-WESIUVDSSA-N
DG00119	Ribostamycin	33042	"Ribostamycin; Vistamycin; Hetangmycin; Xylostatin; Antibiotic SF 733; Ribostamycinum; Ribostamicina; Ribostamycine; Ribastamin; Dekamycin IV; SF 733; 25546-65-0; ribostamycin A; Ribostamycin [INN:BAN]; Bu 1709; Ribostamycine [INN-French]; Ribostamycinum [INN-Latin]; UNII-2Q5JOU7T53; SF-733; Ribostamicina [INN-Spanish]; C17H34N4O10; EINECS 247-091-5; NSC 138925; BRN 1357280; 2Q5JOU7T53; CHEBI:45257; NSC138925; O-2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->4)-O-(beta-D-ribofuranosyl-(1->5))-2-deoxystreptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45257	DB03615	.	.	454.5	C17H34N4O10	262	593	-6.3	31	10	14	6	"1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N	NSKGQURZWSPSBC-VVPCINPTSA-N
DG00120	Epidermal growth factor	56841751	"62229-50-9; Urogastrone; Uroenterone; Uroanthelone; Urogastron; Kutrol; beta-Urogastrone; Anthelone U; Urogastrone [JAN]; Gastrone, gamma-uro-; Gastrone, beta-uro- (human); Epidermal growth factor (egf); CCRIS 7234; EINECS 263-468-7; EPIDERMAL GROWTH FACTOR-UROGASTRONE; Gastrone, uro- (9CI); 9010-53-1; Gentel (TN); EGF"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14145	.	DR1921	6046	C257H381N73O83S7	2560	15400	-19.6	420	96	96	193	"1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)/t123-,124-,125+,126+,142-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,201-,202-,203-,204-,205-,206-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N	VBEQCZHXXJYVRD-GACYYNSASA-N
DG00121	Ticarcillin	36921	"TIPC; Ticarcilina; Ticarcilline; Ticarcillinum; Ticarcillin Supplement; Ticillin [veterinary]; BRL-2288; Ticarcilina[INN-Spanish]; Ticarcillin (INN); Ticarcillin [INN:BAN]; Ticarcilline [INN-French]; Ticarcillinum [INN-Latin]; Ticillin [veterinary] (TN); Timentin (TN); A-carboxy-3-thienylmethylpenicillin; Alpha-carboxy-3-thienylmethylpenicillin; (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9587	DB01607	.	DR2409	384.4	C15H16N2O6S2	178	640	0.8	25	3	8	5	"1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C	OHKOGUYZJXTSFX-KZFFXBSXSA-N
DG00122	LFF571	42638236	.	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13013	.	.	1366.6	C60H63N13O13S6	539	2570	5.4	92	8	26	17	"1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31 ,32 ,35-,44-,48-,49-/m0/s1"	CC1=C2C(=O)N[C@H](C3=NC(=C(S3)COC)C(=O)NCC(=O)N[C@H](C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)N(CCCCC(=O)O)C(=O)OC8CCC(CC8)C(=O)O)C9=NC(=CS9)C(=O)N[C@H](C(=N2)S1)CC(=O)NC)[C@H](C1=CC=CC=C1)O)C(C)C	GNLYKLDXQZHYTR-QWSGWXDSSA-N
DG00123	Epigallocatechin gallate	65064	.	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:4806	DB12116	.	.	458.4	C22H18O11	197	667	1.2	33	8	11	4	"1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1"	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	WMBWREPUVVBILR-WIYYLYMNSA-N
DG00124	Colchicine	6167	"Colchicin; Colchicina; Colchicinum; Colchineos; Colchisol; Colchysat; Colcin; Colcrys; Colsaloid; Colstat; Condylon; Goutnil; Kolkicin; LOC; Binds to tubulin; Colchicin [German]; Colchicina [Italian]; Colchicine [JAN]; Inhibits microtubular assembly; Spindle poison; C 9754; Colchicine (TN); Colchicine, Colchicum autumnale; MPC-004; N-Acetyl trimethylcolchicinic acid methylether; Colchicine (JP15/USP); Colchicine, (R)-Isomer; Benzo(a)heptalen-9(5H)-one; Colchicine, (+-)-Isomer; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide; N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-acetamide; N-((7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-acetamide; (S)-N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide; 7-alpha-H-Colchicine; 7.alpha.H-Colchicine; 7alphaH-Colchicine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27882	DB01394	.	.	399.4	C22H25NO6	83.1	740	1	29	1	6	5	"1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	IAKHMKGGTNLKSZ-INIZCTEOSA-N
DG00125	Chloroquine	2719	Amokin; Aralen; Aralen HCl; Arechin; Arechine; Arequin; Arolen; Arthrochin; Artrichin; Avlochlor; Avloclor; Bemaco; Bemaphate; Bemasulph; Benaquin; Bipiquin; CU-01000012392-2; Capquin; Chemochin; Chingamin; Chloraquine; Chlorochin; Chlorochine; Chlorochinum; Chloroin; Chloroquin; Chloroquina; Chloroquine (USP/INN); Chloroquine (VAN); Chloroquine Bis-Phosphoric Acid; Chloroquine FNA (TN); Chloroquine [USAN:INN:BAN]; Chloroquine phosphate; Chloroquinium; Chloroquinum; Chloroquinum [INN-Latin]; Chlorquin; Cidanchin; Clorochina; Clorochina [DCIT]; Cloroquina; Cloroquina [INN-Spanish]; Cocartrit; Dawaquin (TN); Delagil; Dichinalex; Elestol; Gontochin; Gontochin phosphate; Heliopar; Imagon; Ipsen 225; Iroquine; Khingamin; Klorokin; Lapaquin; Malaquin; Malaquin (*Diphosphate*); Malaren; Malarex; Mesylith; Miniquine; Neochin; Nivachine; Nivaquine B; Pfizerquine; Quinachlor; Quinagamin; Quinagamine; Quinercyl; Quingamine; Quinilon; Quinoscan; RP 3377; RP-3377; Resochen; Resochin; Resochin (TN); Resoquina; Resoquine; Reumachlor; Reumaquin; Rivoquine; Ro 01-6014/N2; Ronaquine; Roquine; SN 6718; SN-7618; ST 21; ST 21 (pharmaceutical); Sanoquin; Silbesan;Siragan; Solprina; Sopaquin; Tanakan; Tanakene; Tresochin; Trochin; W 7618;WIN 244	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3638	DB00608	DR00572	DR0301	319.9	C18H26ClN3	28.2	309	4.6	22	1	3	8	"1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	WHTVZRBIWZFKQO-UHFFFAOYSA-N
DG00126	Clotrimazole	2812	Canesten; Canestene; Canestine; Canifug; Chlotrimazole; Cimitidine; Clomatin; Clotrimaderm; Clotrimazol; Clotrimazolum; Clotrimeizol; Cutistad; Empecid; Esparol; FemCare; Gynix; Kanesten; Klotrimazole; Lotrimax; Lotrimin; Monobaycuten; Mycelax; Mycelex; Mycofug; Mycosporin; Mykosporin; Nalbix; Pedisafe; Rimazole; Stiemazol; Tibatin; Trimysten; Canesten Cream; Canesten Solution; Clotrimazole Schering Brand; Desamix F; Fem Care; Gyne lotrimin; Lotrimin AF Cream; Lotrimin AF Lotion; Lotrimin AF Solution; Lotrimin Af; Lotrimin Cream; Lotrimin Lotion; Lotrimin Solution; Mycelex Cream; Mycelex G; Mycelex OTC; Mycelex Solution; Mycelex Troches; Mycelex Twin Pack; Myclo Cream; Myclo Solution; Myclo Spray Solution; Schering Brand of Clotrimazole; B 5097; Bay b 9057; Bayer Brand 1 of Clotrimazole; Bayer Brand 2 of Clotrimazole; C 6019; FB 5097; FB b 5097; Mycelex 7; Trivagizole 3; Bay-B 5097; Candid Vaginal (TN); Candinil (TN); Canesten (TN); Canesten 1-Day Therapy; Canesten 3-Day Therapy; Canesten 6-Day Therapy; Clobrate VT (TN); Clotrimazol [INN-Spanish]; Clotrimazolum [INN-Latin]; DRG-0072; Gino-Lotremine; Gyne-Lotrimin; Gyne-Lotrimin 3; Gyne-Lotrimin 3 Combination Pack; Gyne-Lotrimin Combination Pack; Lotrimin (TN); Lotrimin AF Jock-Itch Cream; Mono-baycuten; Mycelex (TN); Mycelex-7; Mycelex-7 Combination Pack; Mycelex-G; Mycelex: MycosporinRimazole; Myclo-Gyne; Neo-Zol Cream; Pan-Fungex; Cancap-VT (TN); Candid - V Gel (TN); Canesten 1-Day Cream Combi-Pak; Canesten Combi-Pak 1-Day Therapy; Canesten Combi-Pak 3-Day Therapy; Clotrimazole (JP15/USP/INN); Clotrimazole [USAN:INN:BAN:JAN]; (Chlorotrityl)imidazole; 1-(o-Chlorotrityl)imidazole	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3764	DB00257	DR00574	DR0362	344.8	C22H17ClN2	17.8	396	5	25	0	1	4	"1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4	VNFPBHJOKIVQEB-UHFFFAOYSA-N
DG00127	Telithromycin	3002190	"Ketek; Levviax; TEL; HMR 3647; HMR3647; RU 66647; RU66647; HMR-3647; Ketek (TN); RU-66647; Telithromycin [USAN:BAN:INN]; Telithromycin (JAN/USAN/INN); (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2R,4R,6S,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; (1R,2S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone; 11,12-Dideoxy-3-des(2,6-dideoxy-3-C,3-O-dimethyl-alpha-L-altropyranosyloxy)-6-O-methyl-3-oxo-12,11-(oxycarbonylimino)-N11-[4-[4-(3-pyridyl)imidazol-1-yl]butyl]erythromycin A"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29688	DB00976	DR00576	DR1544	812	C43H65N5O10	172	1440	4.2	58	1	13	11	"1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1"	CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C	LJVAJPDWBABPEJ-PNUFFHFMSA-N
DG00128	Intedanib	135423438	"Nintedanib; Vargatef; 656247-17-5; BIBF-1120; BIBF 1120; 928326-83-4; BIBF1120; Nintedanib (BIBF 1120); OFEV; UNII-G6HRD2P839; (Z)-methyl 3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxylate; G6HRD2P839; CHEBI:85164; 1160294-26-7; Methyl (3z)-3-{[(4-{methyl[(4-Methylpiperazin-1-Yl)acetyl]amino}phenyl)amino](Phenyl)methylidene}-2-Oxo-2,3-Dihydro-1h-Indole-6-Carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85164	DB09079	DR00137	.	539.6	C31H33N5O4	102	892	4.3	40	2	7	8	"1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3"	CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O	CPMDPSXJELVGJG-UHFFFAOYSA-N
DG00129	Cefazolin	33255	"CEZ; Cefamezin; Cefamezine; Cefazolina; Cefazoline; Cefazolinum; Cephamezine; Cephazolidin; Cephazolin; Cephazoline; Elzogram; Cephazolin Sodium; Ancef (TN); Cefacidal (TN); Cefamezin (TN); Cefazolin (USP); Cefazolin [USAN:INN]; Cefazolin(usp); Cefazolina [INN-Spanish]; Cefazoline [INN-French]; Cefazolinum [INN-Latin]; Cefrina (TN); Elzogram (TN); Faxilen (TN); Gramaxin (TN); Kefazol (TN); Kefol (TN); Kefzol (TN); Kefzolan (TN); Kezolin (TN); Novaporin (TN); Zolicef (TN); (6R, 7R)-3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1H-tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R-trans)-3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)-amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylic acid; 7-(1-(1H-)-Tetrazolylacetamido)-3-(2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl)delta3-cephem-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474053	DB01327	DR00577	DR2503	454.5	C14H14N8O4S3	235	740	-0.4	29	2	12	7	"1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1"	CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	MLYYVTUWGNIJIB-BXKDBHETSA-N
DG00130	Ibrutinib	24821094	PCI-32765; Ibrutinib (BTK inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76612	DB09053	DR01270	DR0843	440.5	C25H24N6O2	99.2	678	3.6	33	1	6	5	"1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1"	C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N	XYFPWWZEPKGCCK-GOSISDBHSA-N
DG00131	Fluconazole	3365	"Afungil; Alflucoz; Baten; Beagyne; Biocanol; Biozolene; Canzol; Cryptal; Diflazon; Diflucan; Dimycon; Elazor; FCZ; FLCZ; Flucazol; FlucoLich; Flucobeta; Fluconazol; Fluconazolum; Flucostat; Flukezol; Flunazul; Flunizol; Fluzone; Forcan; Fuconal; Fungata; Lavisa; Loitin; Mutum; Neofomiral; Oxifugol; Oxifungol; Pritenzol; Solacap; Syscan; TPF; Triflucan; Zemyc; Zoltec; Zonal; AbZ Brand of Fluconazole; Aliud Brand of Fluconazole; Alpharma Brand of Fluconazole; Apo Fluconazole; Apotex Brand of Fluconazole; Armstrong Brand of Fluconazole; Betapharm Brand of Fluconazole; Chemia Brand of Fluconazole; Ct Arzneimittel Brand of Fluconazole; Effik Brand of Fluconazole; Fluc Hexal; Fluconazol AL; Fluconazol AbZ; Fluconazol Isis; Fluconazol Stada; Fluconazol [Spanish]; Fluconazol ratiopharm; Fluconazol von ct; Fluconazolum [Latin]; Hexal Brand of Fluconazole; Lesvi Brand of Fluconazole; Lichtenstein Brand of Fluconazole; Mack Brand of Fluconazole; Pfizer Brand of Fluconazole; Pfleger Brand of Fluconazole; Ratiopharm Brand of Fluconazole; SAT Brand of Fluconazole; Silanes Brand of Fluconazole; Stada Brand of Fluconazole; Vita Brand of Fluconazole; F0677; Fluconazole in combination with MGCD290; UK 49858; UK49858; Alfumet (TN); Apo-Fluconazole; Ct-Arzneimittel Brand of Fluconazole; DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER; DRG-0005; Diflucan (TN); Fluconazol-Isis; Fluconazol-ratiopharm; Fluconazole & Bovine Lactoferrin; Fluconazole & Human recombinant granulocyte colony stimulating factor; Fluconazole & hGCSF; Fluconazole in dextrose 5% in plastic container; Flucytosine & Nyotran; GL663142 & Fluconazole; KS-1059; Trican (TN); UK-49858; DIFLUCAN IN SODIUM CHLORIDE 0.9%; DIFLUCAN IN SODIUM CHLORIDE 0.9%IN PLASTIC CONTAINER; Fluconazole in sodium chloride 0.9%; Fluconazole in sodium chloride 0.9% in plastic container; Flucytosine & Nyotran(Liposomal Nystatin); XMP.284 & Fluconazole; XMP.366 & Fluconazole; XMP.391 & Fluconazole; Diflucan, Trican, Alfumet, Fluconazole; Fluconazole & MC-510,011; Fluconazole (JAN/USAN/INN); Fluconazole [USAN:INN:BAN:JAN]; 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2,4-difluoro-,1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL; 2-(2,4-Difluoro-phenyl)-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)-2-propanol; 2-(2,4-Difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol; 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46081	DB00196	DR00578	DR0704	306.27	C13H12F2N6O	81.6	358	0.4	22	1	7	5	"1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2"	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	RFHAOTPXVQNOHP-UHFFFAOYSA-N
DG00132	Methadone	4095	"Adanon; Algovetin; Althose; Amidon; Amidone; Biscuits; Dextromethadone; Diaminon; Dollies; Dolly; Dolophin; Dolophine; Heptadone; Heptanon; Ketalgin; Levometadona; Levomethadonum; Levothyl; Metadona; Metadone; Metasedin; Methadon; Methadona; Methadonum; Methaquaione; Phenadone; Polamidone; Polamivet; Westadone; Dolophine HCL; Levomethadone [INN]; Metadona [Spanish]; Metadone [DCIT]; Methadona [Spanish]; Methadone HCL Intensol; Methadone M; Methadonum [Latin]; Racemic methadone; A 4624; AN 148; Hoechst 10820; K 174; Amidone (TN); D-Methadone; Dl-Methadone; Dolophine (TN); Heptadon (TN); Heptanon (pharmaceutical); L-Methadone; L-Polamidon; L-Polamivet; Levometadona [INN-Spanish]; Levomethadonum [INN-Latin]; Metadona [INN-Spanish]; Methadone (BAN); Methadone [INN:BAN]; Methadonum [INN-Latin]; Methadose (TN); Physeptone (TN); Sedo-Rapide; Symoron (TN); Dolophine (*Hydrochloride*); Fenadone (*Hydrochloride*); Heptadone (*Hydrochloride*); Heptanon (*Hydrochloride*); Hoescht 10820 (*Hydrochloride*); Phenadone (*Hydrochloride*); AN-148 (*Hydrochloride*); L-(+)-Methadone; S-(+)-Methadone; D-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; L-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (+)-Methadone; (+-)-Methadone; (+/-)-Methadone; (+/-)-Tussal; (-)-(R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (-)-Methadone; (6R)-Methadone; (R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; (R)-6-(Dimethylamino)-4,4-diphenyl-3-hetpanone; (S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone; 3-Hetpanone, 6-(dimethylamino)-4,4-diphenyl-, (R)-(9CI); 6-(Dimethylamino)-4,4-diphenyl-3-heptanone dl-mixture; 6-(dimethylamino)-4,4-diphenylheptan-3-one; 6-Dimethylamino-4,4-diphenyl-3-heptanone; 6-dimethylamino-4,4-di(phenyl)heptan-3-one; 6S-Methadone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6807	DB00333	.	.	309.4	C21H27NO	20.3	346	3.9	23	0	2	7	"1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3"	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	USSIQXCVUWKGNF-UHFFFAOYSA-N
DG00133	Vincristine	5978	"LCR; Leurocristine; Marqibo; Oncovine; Tecnocris; VCR; VIN; Vincasar; Vincristina; Vincristinum; Vincrstine; Vincrystine; Vinkristin; Indole alkaloid; Liposomal Vincristine; Onco TCS; Vincristina [DCIT]; Oncovin (TN); Tecnocris (TN); Vincristine (INN); Vincristine [INN:BAN]; Vincristinum [INN-Latin]; Lilly37231 (1:1 sulfate salt); Oncovin (1:1 sulfate salt); Vincasar (1:1 sulfate salt); Vincrex (1:1 sulfate salt); Vincaleukoblastine, 22-oxo-22-Oxovincaleukoblastine; Z-D-Val-Lys(Z)-OH; 22-Oxovincaleukoblastine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28445	DB00541	DR00143	.	825	C46H56N4O10	171	1750	2.8	60	3	12	10	"1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	OGWKCGZFUXNPDA-XQKSVPLYSA-N
DG00134	Mercaptopurine	667490	"6-mercaptopurine; Ismipur; Leukerin; Leupurin; Mercaleukim; Mercaleukin; Mercaptopurin; Mercaptopurina; Mercaptopurinum; Mercapurin; Merkaptopuryna; Mern; Purimethol; Purinethiol; Purinethol; Thiopurine; Leupu rin; Mercaptopurin [German]; Mercaptopurina Wellcome; Mercaptopurine anhydrous; Merkaptopuryna [Polish]; Puri Nethol; BW 57 323H; Glaxo Wellcome Brand of 6 Mercaptopurine; GlaxoSmithKline Brand of 6 Mercaptopurine; M0063; NCIMech_000025; PM6; Wellcome Brand of 6 Mercaptopurine; Glaxo Wellcome Brand of 6-Mercaptopurine; GlaxoSmithKline Brand of 6-Mercaptopurine; Mercaptopurina [INN-Spanish]; Mercaptopurine (INN); Mercaptopurine (VAN); Mercaptopurine (anhydrous); Mercaptopurinum [INN-Latin]; Puri-Nethol; Purineantimetabolite: inhibits nucleic acid replication; Purinethol (TN); U-4748; Wellcome Brand of 6-Mercaptopurine; AG-670/31547064; Purine-6-thiol; Leukerin, 99%-Carc; Purine-6(1H)-thione; Purinethol, 6-mercaptopurine, 6-MP, Mercaptopurine; 6 MP; 6 Mercaptopurine Monohydrate; 6 Thiohypoxanthine; 6 Thiopurine; 6-MERCAPTOPURINE MONOHYDRATE; 6-MP; 6-Mercaptopurin; 6-Merkaptopurin; 6-Merkaptopurin [Czech]; 6-Purinethiol; 6-Thiohypoxanthine; 6-Thiopurine; 6-Thioxopurine; Mercaptopurine (Purine analog)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2208	DB01033	DR00145	DR1031	152.18	C5H4N4S	85.2	190	0	10	2	2	0	"1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)"	C1=NC2=C(N1)C(=S)N=CN2	GLVAUDGFNGKCSF-UHFFFAOYSA-N
DG00136	Isoniazid	3767	Abdizide; Andrazide; Anidrasona; Antimicina; Antituberkulosum; Armacide; Armazid; Armazide; Atcotibine; Azuren; Bacillen; Bacillin; Cedin; Cemidon; Chemiazid; Chemidon; Continazine; Cortinazine; Cotinazin; Cotinizin; Defonin; Dibutin; Diforin; Dinacrin; Ditubin; Ebidene; Eralon; Ertuban; Eutizon; Evalon; Fetefu; Fimalene; HIA; Hidranizil; Hidrasonil; Hidrulta; Hidrun; Hycozid; Hydra; Hydrazid; Hydrazide; Hyozid; Hyzyd; INH; Idrazil; Inah; Inizid; Iscotin; Isidrina; Ismazide; Isobicina; Isocid; Isocidene; Isocotin; Isohydrazide; Isokin; Isolyn; Isonerit; Isonex; Isoniacid; Isoniazida; Isoniazide; Isoniazidum; Isonicazide; Isonicid; Isonico; Isonicotan; Isonicotil; Isonicotinhydrazid; Isonicotinohydrazide; Isonide; Isonidrin; Isonikazid; Isonilex; Isonin; Isonindon; Isonirit; Isoniton; Isonizida; Isonizide; Isotamine; Isotebe; Isotebezid; Isotinyl; Isozid; Isozide; Isozyd; LANIZID; Laniazid; Laniozid; Mybasan; Neoteben; Neoxin; Neumandin; Nevin; Niadrin; Nicazide; Nicetal; Nicizina; Niconyl; Nicotibina; Nicotibine; Nicotisan; Nicozide; Nidaton; Nidrazid; Nikozid; Niplen; Nitadon; Niteban; Nydrazid; Nyscozid; Pelazid; Percin; Phthisen; Pycazide; Pyreazid; Pyricidin; Pyridicin; Pyrizidin; Raumanon; Razide; Retozide; Rimicid; Rimifon; Rimiphone; Rimitsid; Robiselin; Robisellin; Roxifen; Sanohidrazina; Sauterazid; Sauterzid; Stanozide; Tebecid; Tebemid; Tebenic; Tebexin; Tebilon; Tebos; Teebaconin; Tekazin; Tibazide; Tibemid; Tibiazide; Tibinide; Tibison; Tibivis; Tibizide; Tibusan; Tisin; Tisiodrazida; Tizide; Tubazid; Tubazide; Tubeco; Tubecotubercid; Tubercid; Tuberian; Tubicon; Tubilysin; Tubizid; Tubomel; Tyvid; Unicocyde; Unicozyde; Vazadrine; Vederon; Zidafimia; Zinadon; Zonazide; Hid rasonil; Isoco tin; Isoniazid SA; Isozid e; Nidra zid; Rimif on; BP 5015; Bp 5 015; FSR 3; I0138; INHd20; L 1945; Nitebannsc 9659; Preparation 6424; RP 5015; AZT + Isoniazid; Cedin (Aerosol); Dow-Isoniazid; FRS-3; FSR-3; Ido-tebin; In-73; Inh-Burgthal; Isoniazid & EEP; Isoniazid & Propolis; Laniazid (TN); Neo-Tizide; Nydrazid (TN); RP-5015; TB-Phlogin; TB-Razide; TB-Vis; Usaf cb-2; I.A.I; RU-EF-Tb; RY-EF-Tb; I.A.I.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6030	DB00951	DR00422	DR0886	137.14	C6H7N3O	68	120	-0.7	10	2	3	1	"1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)"	C1=CN=CC=C1C(=O)NN	QRXWMOHMRWLFEY-UHFFFAOYSA-N
DG00137	Gefitinib	123631	"Gefitini; IRE; Iressa; Irressat; Gefitinib [USAN]; ZD 1839; ZD1839; Iressa (TN); Iressa(TM); ZD-1839; CU-00000000396-1; Gefitinib,Iressa, ZD1839; Gefitinib (JAN/USAN/INN); ZD-1839, Iressa, Gefitinib; N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamide; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine; N-(3-Chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine; 4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline; 6-(3-morpholinopropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49668	DB00317	DR00423	DR0764	446.9	C22H24ClFN4O3	68.7	545	4.1	31	1	8	8	"1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)"	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	XGALLCVXEZPNRQ-UHFFFAOYSA-N
DG00138	Camptothecin	24360	"Camptothecin; Camptothecine; 7689-03-4; (S)-(+)-Camptothecin; Campathecin; d-Camptothecin; (+)-Camptothecine; (+)-Camptothecin; 20(S)-Camptothecine; 21,22-Secocamptothecin-21-oic acid lactone; NSC94600; (S)-Camptothecin; Camptothecine (8CI); 20(S)-Camptothecin; Camptothecine (S,+); CHEMBL65; UNII-XT3Z54Z28A; MLS000766223; (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; XT3Z54Z28A; CHEBI:27656; VSJKWCGYPAHWDS-FQEVSTJZSA-N; Camptothecin, Camptotheca acuminata; NSC-94600; Camptothecin derivat"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:27656	DB04690	DR01383	.	348.4	C20H16N2O4	79.7	742	1	26	1	5	1	"1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-FQEVSTJZSA-N
DG00139	Cefepime	5479537	"Axepim; CFPM; Cefepima; Cefepimum; Cepimax; Cepimex; Maxcef; Maxipime; Cefepima [Spanish]; Cefepimum [Latin]; BMY 28142; Axepim (TN); BMY-28142; Cefepime [USAN:INN]; Cepimax (TN); Cepimex (TN); Maxcef (TN); Maxipime (TN); Cefepime (USAN/INN); (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(1-methylpyrrolidinium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methylpyrrolidinium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime); 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1-methylpyrrolidinium-1-yl)methyl]-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:478164	DB01413	DR00585	.	480.6	C19H24N6O5S2	204	869	-0.1	32	2	10	6	"1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1"	C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]	HVFLCNVBZFFHBT-ZKDACBOMSA-N
DG00140	Propofol	4943	"Ampofol; Aquafol; Diisopropylphenol; Dipravan; Diprivan; Disoprivan; Disoprofol; Fresofol; Ivofol; PFL; Propofolum; Rapinovet; Recofol; Abbott Brand of Propofol; Alpha Brand of Propofol; Astra Brand of Propofol; AstraZeneca Brand of Propofol; Braun Brand of Propofol; Curamed Brand of Propofol; Diprivan Injectable emulsion; Fresenius Brand of Propofol; Fresenius Kabi Brand of Propofol; Juste Brand of Propofol; Parnell Brand of Propofol; Pisa Brand of Propofol; Propofol Abbott; Propofol Fresenius; Propofol MCT; Propofol Rovi; Propofolum [Latin]; Rovi Brand of Propofol; Schering Brand of Propofol; Zeneca Brand of Propofol; AM-149; DDS-04F; Diprivan (TN); Propofol IDD-D; Propofol-Lipuro; ZD-0859; Ghl.PD_Mitscher_leg0.558; Propofol [USAN:INN:BAN]; Propofol (JAN/USAN/INN); Propofol(2,6-Diisopropylphenol); 2, 6-Diisopropylphenol; 2,6 Diisopropylphenol; 2,6-Bis(1-methylethyl)phenol; 2,6-Bis(Isopropyl)-phenol; 2,6-DIISOPROPYLPHENOL; 2,6-Diisopropyl phenol; 2,6-Diisopropylphenol; 2,6-bis(1-methylethyl)-phenol; 2,6-di(propan-2-yl)phenol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44915	DB00818	DR00424	DR1365	178.27	C12H18O	20.2	135	3.8	13	1	1	2	"1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3"	CC(C)C1=C(C(=CC=C1)C(C)C)O	OLBCVFGFOZPWHH-UHFFFAOYSA-N
DG00141	Abacavir	441300	"Trizivir; Ziagen; Abacavir [INN]; Abacavir (INN); Ziagen (TN); Ziagen (TM)(*Succinate salt*); [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; (+/-)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; (+/-)-Abacavir; (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol; ABC"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:421707	DB01048	DR00588	DR0027	286.33	C14H18N6O	102	414	0.9	21	3	6	4	"1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1"	C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO	MCGSCOLBFJQGHM-SCZZXKLOSA-N
DG00142	Trimethoprim	5578	Abaprim; Alprim; Anitrim; Antrima; Antrimox; Bacdan; Bacidal; Bacide; Bacin; Bacta; Bacterial; Bacticel; Bactin; Bactoprim; Bactramin; Bencole; Bethaprim; Biosulten; Briscotrim; Chemotrin; Cidal; Colizole; Conprim; Cotrimel; Deprim; Duocide; Esbesul; Espectrin; Euctrim; Exbesul; Fermagex; Fortrim; Futin; Idotrim; Ikaprim; Instalac; Kombinax; Lagatrim; Lastrim; Methoprim; Metoprim; Monoprim; Monotrim; Monotrimin; Novotrimel; Omstat; Oraprim; Pancidim; Polytrim; Priloprim; Primosept; Primsol; Proloprim; Protrin; Purbal; Resprim; Roubac; Roubal; Salvatrim; Setprin; Sinotrim; Stopan; Streptoplus; Sugaprim; Sulfamar; Sulfamethoprim; Sulfoxaprim; Sulmeprim; Sulthrim; Sultrex; Syraprim; Tiempe; Toprim; Trimanyl; Trimethioprim; Trimethoprime; Trimethoprimum; Trimethopriom; Trimetoprim; Trimetoprima; Trimexazole; Trimexol; Trimezol; Trimogal; Trimono; Trimopan; Trimpex; Triprim; Trisul; Trisulcom; Trisulfam; Trisural; Uretrim; Urobactrim; Utetrin; Velaten; Wellcoprim; Wellcoprin; Xeroprim; Zamboprim; Bacterial [Antibiotic]; Colizole DS; Component of Bactrim; Component of Septra; Lagatrim Forte; ResprimForte; Septrin DS; Septrin Forte; Septrin S; Trimetoprim [DCIT]; Trimetoprim [Polish]; BW 5672; KUC103659N; NIH 204; T 7883; Trimpex 200; WR 5949; Alcorim-F; Apo-Sulfatrim; BW 56-72; Co-Trimoxizole; Monotrim (TN); NIH 204 (VAN); Proloprim (TN); Smz-Tmp; Sulfamethoxazole & Trimethoprim; TCMDC-125538; Tmp-Ratiopharm; Trimeth/Sulfa; Trimethopim(TMP); Trimethoprim & VRC3375; Trimethoprime [INN-French]; Trimethoprimum [INN-Latin]; Trimetoprima [INN-Spanish]; Trimez-IFSA; Trimpex (TN); Triprim (TN); U-Prin; Uro-D S; BW-56-72; KSC-4-158; AZT + TMP/SMX (mixture) combination; Trimethoprim (JAN/USP/INN); Trimethoprim [USAN:BAN:INN:JAN]	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45924	DB00440	DR00590	DR1648	290.32	C14H18N4O3	106	307	0.9	21	2	7	5	"1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)"	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	IEDVJHCEMCRBQM-UHFFFAOYSA-N
DG00143	Cefotetan	53025	"Cefotetanum; Apatef (TN); Cefotan (TN); Cefotetan (JP15/USP/INN); (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7S)-7-[[4-(1-amino-3-hydroxy-1,3-dioxopropan-2-ylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3499	DB01330	DR01386	.	575.6	C17H17N7O8S4	321	1090	0.1	36	4	15	9	"1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13 ,15-,17+/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O	SRZNHPXWXCNNDU-RHBCBLIFSA-N
DG00144	Imatinib	5291	Cgp 57148; Glamox; Glamox (TN); Gleevec (TN); Glivec (TN); Imatinib (INN); Imatinib (STI571); Imatinib Methansulfonate; Imatinib [INN:BAN]; 112GI019; 152459-95-5; BKJ8M8G5HI; CCRIS 9076; CGP-57148; CHEMBL941; Imatinib free base; STI; UNII-BKJ8M8G5HI	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45783	DB00619	DR00032	.	493.6	C29H31N7O	86.3	706	3.5	37	2	7	7	"1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)"	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	KTUFNOKKBVMGRW-UHFFFAOYSA-N
DG00145	Apramycin	3081545	AC1O533Z; XZNUGFQTQHRASN-PHTOHMOASA-N	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:2790	DB04626	.	.	539.6	C21H41N5O11	284	760	-7	37	11	16	6	"1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1"	CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O	XZNUGFQTQHRASN-XQENGBIVSA-N
DG00146	Vancomycin	14969	"Vancomycin (oral, MRSA), AuricX; Vancomycin (oral/pill, MSRA); Vancomycin (oral/pill, MSRA), AuricX/SRI International"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28001	DB00512	.	DR2170	1449.2	C66H75Cl2N9O24	531	2960	-2.6	101	19	26	13	"1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1"	C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	MYPYJXKWCTUITO-LYRMYLQWSA-N
DG00147	Ketoconazole	456201	"KCZ; KTZ; K 1003; R 41400; R41400; KS-1205; KW-1414; Perkhotal (TN); R 41,400; R-41400; R41,400; Ketoconazole [USAN:INN:BAN:JAN]; Nizoral, Extina, Xolegel, Kuric, Ketoconazole; Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-piperazine; Cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE; (+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine; (+/-)-cis-1-Acetyl-4-(4-[(2-[2,4-dichlorophenyl]-2-[1H-imidazol-1-ylmethyl]-1,3-dioxolan-4-yl)-methoxy]phenyl)piperazine; (+/-)-cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone; 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48336	DB01026	.	.	531.4	C26H28Cl2N4O4	69.1	735	4.3	36	0	6	7	"1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1"	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl	XMAYWYJOQHXEEK-OZXSUGGESA-N
DG00148	Etoposide	36462	"Etoposide; 33419-42-0; VePesid; Toposar; trans-Etoposide; Lastet; (-)-Etoposide; Zuyeyidal; Etoposidum; Etoposido; Vepesid J; Eposin; Etoposidum [INN-Latin]; Etoposide (VP16); VP 16-213; VP 16 (pharmaceutical); Etoposido [INN-Spanish]; Etopophos (phosphate salt); VP-16-213; 4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside; VP 16213; UNII-6PLQ3CP4P3; NK 171; NSC 141540; CCRIS 2392; HSDB 6517; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside); EINECS 251-509-1; NSC-141540; Eposide; Etopol; Etosid; Vepeside; Demethyl EpipodophyllotoxinEthylidine Glucoside; E0675; Demethyl-epiodophyllotoxin ethylidene glucoside; Epipodophyllotoxin VP-16213; Eposin (TN); Etopophos (TN); Trans-Etoposide; VePESID (TN); Vepesid (TN); DEMETHY-EPIPODOPHYLLOTOXIN, ETHYLIDENE GLUCOSIDE; VP-16 (TN); Demethylepipodophyllotoxin-beta-D-ethylideneglucoside; Etoposide (JP15/USP/INN); Etoposide [USAN:INN:BAN:JAN]; Eposin, Vepesid, VP-16, Toposar, Etoposide; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside (8CI); Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethyl-epipodophyllotoxin 9-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside; 4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin ethylidene-beta-D-glucoside; 4'-O-Demethyl-1-O-(4,6-O-ethylidene-beta-D-glucopyranosyl)epipodophyllotoxin; 4-Demethylepipodophyllotoxin-beta-D-ethylideneglucoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4911	DB00773	DR00162	DR0669	588.6	C29H32O13	161	969	0.6	42	3	13	5	"1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1"	C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	VJJPUSNTGOMMGY-MRVIYFEKSA-N
DG00149	Chlorpheniramine	2725	"Allergican; Allergisan; Antagonate; Chloropheniramine; Chlorophenylpyridamin; Chlorophenylpyridamine; Chloropiril; Chloroprophenpyridamine; Chlorphenamine; Chlorphenaminum; Chlorpheniraminum; Chlorprophenpyridamine; Clofeniramina; Clorfenamina; Clorfeniramina; Cloropiril; Haynon; Hayon; Histadur; ISOCLOR; Kloromin; Phenetron; PiriIton; Piriton; Polaronil; Telachlor; Teldrin; Chlorphenamine [INN]; Clorfeniramina [Italian]; Pediacare Allergy Formula; [3H]Chlorpheniramine; Aller-Chlor; Chlo-amine; Chlor-Pro; Chlor-Trimeton Repetabs; Chlor-trimeton; Chlorphenamine (INN); Chlorphenaminum [INN-Latin]; Clofeniramina (TN); Clorfenamina [INN-Spanish]; Comakin (TN); Gen-Allerate; Novo-Pheniram; Piriton (TN); Chlor-Trimeton (TN); Chlor-Tripolon (TN); CHLORPHENIRAMINE (SEE ALSO: CHLORPHENIRAMINE MALEATE (CAS113-92-8)); Gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine; Gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine; 1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine; 1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane; 2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine; 3-(4-chlorophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine; 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; 3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine; 4-Chloropheniramine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52010	DB01114	.	DR0303	274.79	C16H19ClN2	16.1	249	3.4	19	0	2	5	"1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3"	CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	SOYKEARSMXGVTM-UHFFFAOYSA-N
DG00150	Iprodione	37517	"IPRODIONE; 36734-19-7; Rovral; Glycophene; Glycophen; Promidione; Iprodial; Verisan; Kidan; Rovral flo; Rovral PM; Rovrol; Anfor; Rovral 50WP; Chipco 26019; 3-(3,5-Dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide; NRC 910; LFA 2043; Iprodione [ANSI:BSI:ISO]; 3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide; Caswell No. 470A; Iprodine; ROP 500 F; MRC 910; UNII-S3AYV2A6EU; 26019 rp; RP 26019; FA 2071; 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-; HSDB 6855"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28909	DB00215	.	.	330.16	C13H13Cl2N3O3	69.7	448	3.1	21	1	3	2	"1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)"	CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl	ONUFESLQCSAYKA-UHFFFAOYSA-N
DG00151	Paclitaxel	36314	"C47H51NO14; weekly paclitaxel; Micellar Paclitaxel; Paclitaxel [USAN:INN:BAN]; SCHEMBL15000506; Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45863	DB01229	DR00342	DR1227	853.9	C47H51NO14	221	1790	2.5	62	4	14	14	"1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	RCINICONZNJXQF-MZXODVADSA-N
DG00153	Temozolomide	5394	"Methazolastone; Temodal; Temodar; Temozolamide; Temozolodida; Temozolomidum; Essex brand of temozolomide; Scheringbrand of temozolomide; Temozolodida [Spanish]; Temozolomidum [Latin]; M B 39831; MB 39831; Sch 52365; M & B 39831; M&B 39831; M-39831; Sch-52365; Schering-Plough brand of temozolomide; TMZ-Bioshuttle; Temodal (TN); Temodar (TN); Temozolomide [INN:BAN]; M&B-39831; Temozolomide (JAN/USAN/INN); 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide; 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide; 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide; 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one; TMZ"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72564	DB00853	.	.	194.15	C6H6N6O2	106	315	-1.1	14	1	5	1	"1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)"	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	BPEGJWRSRHCHSN-UHFFFAOYSA-N
DG00154	Epirubicin	41867	"Ellence; Epiadriamycin; Epidoxorubicin; Epirubicina; Epirubicine; Epirubicinum; Pidorubicin; Pidorubicina; Pidorubicine; Pidorubicinum; Ridorubicin; Epirubicina [Spanish]; Epirubicine [French]; Epirubicinum [Latin]; Pharmorubicin Pfs; IMI 28; WP 697; Ebewe (TN); Ellence (TN); Epi-DX; Epirubicin (INN); Epirubicin (TN); Epirubicin [INN:BAN]; Epirubicina [INN-Spanish]; Epirubicine [INN-French]; Epirubicinum [INN-Latin]; Farmorubicin (TN); Pharmorubicin (TN); Pidorubicina [INN-Spanish]; Pidorubicine [INN-French]; Pidorubicinum [INN-Latin]; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside; (7S,9R)-7-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-(8S-cis)-5,12-naphthacenedione; 4'-Epi-DXR; 4'-Epiadriamycin; 4'-epi-DX; 4'-epi-Doxorubicin; 4'-epidoxorubicin; 4-Epidoxorubicin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47898	DB00445	DR00170	DR0591	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1"	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-VTZDEGQISA-N
DG00156	Ceftobiprole	135413542	"BAL 9141; BAL 9141-000; BAL-9141; Ro 63-9141; Ro-63-9141; Ro-63-9141/000; (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:140407	DB04918	.	.	534.6	C20H22N8O6S2	257	1100	-2.4	36	5	13	6	"1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1"	C1CNC[C@@H]1N2CC/C(=C\\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\\O)/C5=NSC(=N5)N)SC3)C(=O)O)/C2=O	VOAZJEPQLGBXGO-SDAWRPRTSA-N
DG00157	Telbivudine	159269	"Epavudine; LLT; LdT; Sebivo; Telbivudin; Tyzeka; Telbivudine [USAN]; LDT600; NB 02B; NV 02B; L-Deoxythymidine; L-Thymidine; L-dT; LDT-600; NV-02B; Tyzeka (TN); Beta-L-Thymidine; Telbivudine (USAN/INN); Tyzake/Sebivo (TN); Tyzeka, Sebivo, Telbivudine; 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 1-(2-Deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 2'-Deoxy-L-thymidine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63624	DB01265	.	.	242.23	C10H14N2O5	99.1	381	-1.2	17	3	5	2	"1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1"	CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O	IQFYYKKMVGJFEH-CSMHCCOUSA-N
DG00158	Loperamide	3955	Ioperamide; Loperacap; Loperamida; Loperamidum; Kaopectate II; Loperamide Monohydrochloride; Pepto Diarrhea Control; Apo-Loperamide; Diamide (TN); Diarr-Eze; Dimor (TN); Imodium (TN); Imodium A-D Caplets; Loperamida [INN-Spanish]; Loperamide (INN); Loperamide [INN:BAN]; Loperamidum [INN-Latin]; Lopex (TN); Maalox Anti-Diarrheal; Nu-Loperamide; PMS-Loperamide; Pepto (TN); R-18553; Rho-Loperamide	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6532	DB00836	DR00171	.	477	C29H33ClN2O2	43.8	623	5	34	1	3	7	"1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3"	CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4	RDOIQAHITMMDAJ-UHFFFAOYSA-N
DG00159	Cyclophosphamide	2907	"ASTA; Ciclofosfamida; Ciclophosphamide; Clafen; Claphene; Cycloblastin; Cyclophosphamid; Cyclophosphamides; Cyclophosphamidum; Cyclophosphan; Cyclophosphane; Cyclophosphanum; Cyclophosphoramide; Cyclostin; Cyklofosfamid; Cytophosphan; Cytophosphane; Cytoxan; Endoxan; Endoxana; Endoxanal; Endoxane; Enduxan; Genoxal; Mitoxan; Neosar; Procytox; Revimmune; Semdoxan; Sendoxan; Senduxan; Zyklophosphamid; Ciclophosphamide [INN]; Cyclophosphamide Sterile; Cyclophosphamide anhydrous; Cyklofosfamid [Czech]; Cytoxan Lyoph; Endoxan R; Lyophilized Cytoxan; Zyklophosphamid [German]; ASTA B518; Asta B 518; B 518; C 0768; CB 4564; SK 20501; B-518; CB-4564; Ciclofosfamida [INN-Spanish]; Cyclophosphamide (INN); Cyclophosphamide (TN); Cyclophosphamide (anhydrous form); Cyclophosphamide (anhydrous); Cyclophosphamidum [INN-Latin]; Cytoxan (TN); Endoxan (TN); Endoxan-Asta; Neosar (TN); Occupation, cyclophosphamide exposure; Procytox (TN); Revimmune (TN); Bis(2-Chloroethyl)phosphami de cyclic propanolamide; Bis(2-Chloroethyl)phosphamide cyclic propanolamide ester; Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester; D,L-Cyclophosphamide; Cyclophosphamide, (+-)-Isomer; N,N-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide; (+-)-Cyclophosphamide; (-)-Cyclophosphamide; (RS)-Cyclophosphamide; 1-(bis(2-chloroethyl)amino)-1-oxo-2-aza-5-oxaphosphoridine; 1-Bis(2-chloroethyl)amino-1-oxo-2-aza-5-oxaphosphoridin; 4-Hydroxy-cyclophosphan-mamophosphatide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4027	DB00531	DR00425	DR0391	261.08	C7H15Cl2N2O2P	41.6	212	0.6	14	1	4	5	"1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)"	C1CNP(=O)(OC1)N(CCCl)CCCl	CMSMOCZEIVJLDB-UHFFFAOYSA-N
DG00161	Epothilone B	448013	"Epothilone B; Patupilone; 152044-54-7; (-)-Epothilone B; Epo B; EpoB; EPO906; EPO 906; UNII-UEC0H0URSE; EPO 906A; GNF-PF-193; CHEBI:31550; UEC0H0URSE; AK163080; Epothilone B (EPO906, Patupilone); 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE; Epothilon B; Patupilone [INN]; (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31550	DB03010	.	DR1795	507.7	C27H41NO6S	138	816	4.2	35	2	8	2	"1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1"	C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C	QXRSDHAAWVKZLJ-PVYNADRNSA-N
DG00162	Haloperidol	3559	Aldo; Aloperidin; Aloperidol; Aloperidolo; Aloperidon; Bioperidolo; Brotopon; Dozic; Dozix; Eukystol; Fortunan; Galoperidol; Haldol; Halidol; Halojust; Halol; Halopal; Haloperido; Haloperidolum; Halopidol; Halopoidol; Halosten; Keselan; Linton; Mixidol; Pekuces; Peluces; Peridol; Pernox; Serenace; Serenase; Serenelfi; Sernas; Sernel; Sigaperidol; Ulcolind; Uliolind; Vesalium; Aloperidolo [DCIT]; Aloperidolo [Italian]; Einalon S; Haldol La; Haldol Solutab; Lealgin compositum; Pms Haloperidol; H 1512; R 1625; Aloperidin (TN); Apo-Haloperidol; Bioperidolo (TN); Brotopon (TN); Dozic (TN); Duraperidol (TN); Einalon S (TN); Eukystol (TN); Haldol (TN); Haloperidolum [INN-Latin]; Halosten (TN); Keselan (TN); Linton (TN);Novo-Peridol; Peluces (TN); R-1625; Serenace (TN); Serenase (TN); Sigaperidol (TN); Haloperidol (JP15/USP); McN-JR-1625; Haloperidol (JP15/USP/INN); Haloperidol [USAN:INN:BAN:JAN]	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5613	DB00502	DR00426	.	375.9	C21H23ClFNO2	40.5	451	3.2	26	1	4	6	"1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2"	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	LNEPOXFFQSENCJ-UHFFFAOYSA-N
DG00163	Cefotaxime	5742673	Cefotaxim; Cefotaxima; Cefotaximum; Cephotaxim; Cephotaxime; Claforan; Klaforan; Cefotaxim Hikma; Cefotaxime acid; CE3; RU 24662; Cefotaxim Hikma (TN); Cefotaxima [INN-Spanish]; Cefotaxime (INN); Cefotaxime [INN:BAN]; Cefotaximum [INN-Latin]; Claforan (TN); Ru-24756; Claforan (*Sodium salt*)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:204928	DB00493	.	DR2226	455.5	C16H17N5O7S2	227	833	-1.4	30	3	12	8	"1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OC)/C3=CSC(=N3)N)SC1)C(=O)O	GPRBEKHLDVQUJE-QSWIMTSFSA-N
DG00164	Prednisolone	5755	"Nanocort; Prednisolone (injectable liposome formulation, rheumatoid arthritis); Prednisolone (injectable liposome formulation, rheumatoid arthritis), Enceladus; Prednisolone (injectable liposome formulation, rheumatoid arthritis), Galapagos"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8378	DB00860	DR00428	DR1332	360.4	C21H28O5	94.8	724	1.6	26	3	5	2	"1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O	OIGNJSKKLXVSLS-VWUMJDOOSA-N
DG00165	Metformin	4091	"657-24-9; 1,1-Dimethylbiguanide; N,N-dimethylimidodicarbonimidic diamide; Metiguanide; Dimethylbiguanide; Glucophage; Haurymelin; Gliguanid; Fluamine; Glumetza; Flumamine; Melbin; Diabex; N,N-Dimethylbiguanide; Metformina; Metforminum; Metformine; Islotin; Glifage; Siofor; N1,N1-Dimethylbiguanide; DMGG; NNDG; Dimethyldiguanide; N,N-Dimethyldiguanide; Metformina [DCIT]; Imidodicarbonimidic diamide, N,N-dimethyl-; Metformina [Spanish]; Metforminum [INN-Latin]; Metformine [INN-French]; Metformin [USAN:INN:BAN]; 1,1-Dimethyl; Diabetosan; Dimethylbiguanidine; Dimethylguanylguanidine; Glycon; Diabex (TN); Diaformin (TN); Dianben (TN); Fortamet (TN); Gen-Metformin; Glucophage (TN); Glumetza (TN); LA-6023; Nu-Metformin; Obimet (TN); Riomet (TN); Metformin (USAN/INN); 1,1-Dimethyl biguanide; 3-(diaminomethylidene)-1,1-dimethylguanidine; [14C]metformin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6801	DB00331	DR00133	.	129.16	C4H11N5	91.5	132	-1.3	9	3	1	2	"1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)"	CN(C)C(=N)N=C(N)N	XZWYZXLIPXDOLR-UHFFFAOYSA-N
DG00166	Tenofovir	464205	"Apropovir; PMPA; TFV; Tenefovir; GS 1275; GS 1278; GS1278; GNA & Tenofovir; HHA & Tenofovir; KS-5021; Viread (TN); Viread, Tenofovir; D,L-Tenofovir; PMPA-(R); Phosphonic acid, [[2-(6-amino-9H-purin-9; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid; Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-(9CI); Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-& Galanthus nivalis agglutinin (GNA); Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-& Hippeastrum hybrid agglutinin(HHA); (R)-9-(2-Phosphonomethoxypropyl)adenine; (R)-9-(2-Phosphonylmethoxypropyl)adenine; (R)-PMPA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63625	DB14126	DR00174	.	287.21	C9H14N5O4P	136	354	-1.6	19	3	8	5	"1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1"	C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O	SGOIRFVFHAKUTI-ZCFIWIBFSA-N
DG00167	Pyronaridine	107771	"Malaridine; Pyronaridine phosphate salt; Benzonaphthyridine 7351; 2-Methoxy-7-chloro-10-(3',5'-bis(pyrrolin-1-ylmethyl)-4'-hydroxyphenylamino)benzo(b)-1,5-naphthyridine; 4-((7-Chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)phenol; 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one; 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135951	DB12975	.	.	518	C29H32ClN5O2	73.8	707	5.3	37	2	7	7	"1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)"	COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6	DJUFPMUQJKWIJB-UHFFFAOYSA-N
DG00168	Fentanyl	3345	"Fentanyl; Fentanil; Phentanyl; Fentora; Sublimaze; Fentanila; Fentanest; Duragesic; Fentanylum; Durogesic; Sentonil; 437-38-7; Duragesic-100; IONSYS; Duragesic-25; Duragesic-75; Duragesic-50; Duragesic-12; Fentanyl-25; Fentanyl-75; Fentanyl-12; Fentanyl-50; Fentanylum [INN-Latin]; Fentanila [INN-Spanish]; Fentanyl-100; 1-Phenethyl-4-N-propionylanilinopiperidine; Matrifen; Sublimase; N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide; N-(1-Phenethyl-4-piperidyl)propionanilide; N-Phenethyl-4-(N-propionylanilino)piperidine; Fentanil [DCIT]; Subsys; Fentanyl-37; Fentanyl-62; Fentanyl-87; Abstral; Actiq; Lazanda; Onsolis; Fentanyl Citrate; Fentanyl Citrate Preservative Free; Sublimaze Preservative Free; fentanyl (transmucosal film, pain), Auxilium Pharmaceuticals"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:119915	DB00813	DR00430	.	336.5	C22H28N2O	23.6	391	4	25	0	2	6	"1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3"	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3	PJMPHNIQZUBGLI-UHFFFAOYSA-N
DG00169	Quinupristin	5388937	"Quinupristina; Quinupristine; Quinupristinum; SYB; RP 57669; Quinupristin [USAN:INN]; Quinupristina [INN-Spanish]; Quinupristine [INN-French]; Quinupristinum [INN-Latin]; RP-57669; Synercid (TN); Quinupristin (JAN/USAN/INN); 4-[4-(DIMETHYLAMINO)-N-METHYL-L-PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN; 5delta-(3-quinuclidinyl)thiomethylpristinamycin IA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01369	.	.	1022.2	C53H67N9O10S	257	2010	4.2	73	4	14	10	"1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C	WTHRRGMBUAHGNI-LCYNINFDSA-N
DG00170	Cefditoren	9870843	"Cefditoren [USAN:INN]; Meiact (TN); Spectracef (TN); (+)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((Z)-2-(4-methyl-5-thiazolyl)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime); (6R-(3(Z),6alpha,7beta(Z)))-7-((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59343	DB01066	DR01394	.	506.6	C19H18N6O5S3	242	928	0.7	33	3	12	7	"1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1"	CC1=C(SC=N1)/C=C\\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	KMIPKYQIOVAHOP-YLGJWRNMSA-N
DG00171	Platinum	23939	"Precision tolerogens (autoimmune disease), NaniRx"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:33364	DB12257	.	.	195.08	Pt	0	0	.	1	0	0	0	1S/Pt	[Pt]	BASFCYQUMIYNBI-UHFFFAOYSA-N
DG00173	Plazomicin	42613186	"ACHN-490; UNII-LYO9XZ250J; 1154757-24-0; LYO9XZ250J; Plazomicin [USAN:INN]; Plazomicin (USAN); ZINC68150640; DB12615; D10151; D-Streptamine,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12615	.	DR2136	592.7	C25H48N6O10	269	873	-6.2	41	11	15	13	"1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O	IYDYFVUFSPQPPV-PEXOCOHZSA-N
DG00174	Dasatinib	3062316	"Sprycel (TN); BMS 354825; BMS-354825; BMS-354825, Sprycel, BMS354825, Dasatinib; BMS354825; Dasatinib (USAN); Dasatinib [USAN]; Dasatinib anhydrous; Dasatinib, BMS 354825; Dasatinibum; Sprycel; Spyrcel"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49375	DB01254	DR00182	DR0423	488	C22H26ClN7O2S	135	642	3.6	33	3	9	7	"1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)"	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
DG00175	Capreomycin	3000502	"Capreomycin Sulfate Standard; Capreomycin sulphate; Caprocin (Disulfate); Ogostal (Disulfate); (3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide; (3S)-3,6-diamino-N-[[(2S,5S,8E,11S,15S)-15-amino-11-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00314	.	.	1321.4	C50H88N28O15	737	2470	.	93	27	23	19	"1S/C25H44N14O8.C25H44N14O7/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46)/b15-9+;16-10+/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-/m00/s1"	C[C@H]1C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CNC(=O)C[C@H](CCCN)N.C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CNC(=O)C[C@H](CCCN)N)CO)N)N	VCOPTHOUUNAYKQ-WBTCAYNUSA-N
DG00176	Vorinostat	5311	"NHNPODA; SAHA; SHH; Zolinza; Merck brand of Vorinostat; OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE; SAHA cpd; Suberanilohydroxamic acid; Suberoylanilide hydroxamic acid; Vorinostat MSD; Vorinostat [USAN]; M344; MK0683; SKI390; WIN64652; MK-0683; SAHA, Suberoylanilide hydroxamic acid; SW-064652; Zolinza (TN); Vorinostat (JAN/USAN); N1-hydroxy-N8-phenyloctanediamide; Zolinza, MK-0683, SAHA; N'-hydroxy-N-phenyloctanediamide; N-Hydroxy-N'-phenyl octanediamide; N-Hyrdroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyloctanediamide; N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide; Vorinostat (HDAC inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45716	DB02546	DR00769	DR1710	264.32	C14H20N2O3	78.4	276	1.9	19	3	3	8	"1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)"	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	WAEXFXRVDQXREF-UHFFFAOYSA-N
DG00177	Temsirolimus	6918289	Torisel	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:79699	DB06287	DR00432	DR1548	1030.3	C56H87NO16	242	2010	5.6	73	4	16	11	"1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	CBPNZQVSJQDFBE-FUXHJELOSA-N
DG00178	Tipranavir	54682461	"Aptivus; TPV; PNU 140690; U 140690; Aptivus (Boehringer Ingelheim); Aptivus (TN); Aptivus(TM); PNU-140690; PNU-140690E; Tipranavir (INN); U-140690; N-[3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide; N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63628	DB00932	.	DR1601	602.7	C31H33F3N2O5S	114	1050	7	42	2	10	11	"1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1"	CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4	SUJUHGSWHZTSEU-FYBSXPHGSA-N
DG00179	Fludarabine	657237	"FaraA; Fludarabina; Fludarabinum; Fluradosa; Fludarabina [Spanish]; Fludarabine [INN]; Fludarabinum [Latin]; SQ Fludarabine; Fludara, Fludarabine; Fludarabine (INN); Fluradosa (TN); F-Ara-A; (2R,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-F-ara-A; 2-Fluoro Ara-A; 2-Fluoro-9-beta-D-arabinofuranosyladenine; 9-beta-D-Arabinofuranosyl-2-fluoroadenine; 9-beta-D-arabinofuranosyl-2-fluoro-9H-purin-6-amine; 9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-2-fluoro-(9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94701	DB01073	DR00434	.	285.23	C10H12FN5O4	140	367	-0.6	20	4	9	2	"1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1"	C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N	HBUBKKRHXORPQB-FJFJXFQQSA-N
DG00180	Aztreonam	5742832	"Azactam; Primbactam; Azactam (TN); SQ-26776; Monobactam, SQ 26776, Squibb 26776, Aztreonam; [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid; 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid; 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:161680	DB00355	.	DR0169	435.4	C13H17N5O8S2	238	808	0.3	28	4	12	7	"1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1"	C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\\OC(C)(C)C(=O)O)/C2=CSC(=N2)N	WZPBZJONDBGPKJ-VEHQQRBSSA-N
DG00181	Fosamprenavir	131536	"Telzir; Amprenavir phosphate; Fosamprenavir [INN]; GW 433908; GW433908; VX 175; Fosamprenavir (INN); Lexiva (TM); Lexiva (TN); Telzir (TN); Telzir(TM); VX-175; GW433908A (*Sodium Salt*); GW433908G (*Calcium Salt*); [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)-2-(phosphonooxy)propyl)-, C-((3S)-tetrahydro-3-furanyl) ester; ((3S)Oxolan-3-yloxy)-N-((1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-(phosphonooxy)propyl)carboxamide; (3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)-2-(phosphonooxy)propyl)carbamic acid C-(tetrahydro-3-furanyl) ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82941	DB01319	DR01274	DR0745	585.6	C25H36N3O9PS	186	912	1.8	39	4	11	14	"1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N	MLBVMOWEQCZNCC-OEMFJLHTSA-N
DG00182	Spiramycin	6419898	"Spiramycin; 8025-81-8; ST075006; Spiramycinum; Spiramycine; Provamycin; Sequamycin; Espiramicin; Rovamycin; Antibiotic 799; NSC-64393; RP 5337; Rovamycine; Prestwick_121; 5337 R.P.; Prestwick2_000745; Prestwick3_000745; AC1O4WG0; Spiramycin antibiotic complex; BPBio1_000804; SCHEMBL5032756; AKOS015896378; K430; SR-01000872632; SR-01000872632-1; I06-1973; Spiramycin, European Pharmacopoeia (EP) Reference Standard; Spiramycin from Streptomyces sp., VETRANAL(TM), analytical standard; Spiramycin, Pharmaceutical Secondary Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06145	.	.	843.1	C43H74N2O14	195	1370	2.1	59	4	16	11	"1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26 ,27 ,28 ,29+,30 ,31-,32+,34 ,35 ,36 ,37 ,38 ,39+,40+,41 ,42 ,43 /m1/s1"	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C	ACTOXUHEUCPTEW-JMRHEKERSA-N
DG00183	Amoxicillin	33613	"AMPC; Actimoxi; Amoclen; Amolin; Amopen; Amopenixin; Amoxi; Amoxibiotic; Amoxicaps; Amoxicilina; Amoxicillanyl; Amoxicilline; Amoxicillinum; Amoxiden; Amoxil; Amoxivet; Amoxycillin; Anemolin; Aspenil; Biomox; Bristamox; Cemoxin; Clamoxyl; Delacillin; DisperMox; Efpenix; Flemoxin; Hiconcil; Histocillin; Hydroxyampicillin; Ibiamox; Imacillin; Lamoxy; Larotid; Moxacin; Moxal; Moxatag; Ospamox; Pamoxicillin; Piramox; Polymox; Robamox; Sumox; Tolodina; Trimox; Unicillin; Utimox; Vetramox; Wymox; AMOXICILLIN CRYSTALLINE; AMOXICILLIN PEDIATRIC; Amoxicillin anhydrous; Amoxicilline [INN]; Amoxycillin Trihydrate; Metafarma capsules; Metifarma capsules; Sawamox PM; BLP 1410; AMK (TN); Actimoxi (TN); Alphamox (TN); Amoksibos (TN); Amoksiklav (TN); Amoxi-Mast; Amoxibiotic (TN); Amoxicilina (TN); Amoxicilina [INN-Spanish]; Amoxicillin (INN); Amoxicillin (TN); Amoxicillin (anhydrous); Amoxicilline [INN-French]; Amoxicillinum [INN-Latin]; Amoxiclav (TN); Amoxidal (TN); Amoxil (TN); Amoxin (TN); Apo-Amoxi; Augmentin (TN); BL-P 1410; BRL-2333; Bactox (TN); Betalaktam (TN); Cilamox (TN); Clamoxyl (TN); Curam (TN); D-Amoxicillin; Dedoxil (TN); Dispermox (TN); Duomox (TN); Enhancin (TN); Geramox (TN); Gimalxina (TN); Hiconcil (TN); Isimoxin (TN); Klavox (TN); Lamoxy (TN); Moxatag (TN); Moxilen (TN); Moxypen (TN); Moxyvit (TN); Nobactam (TN); Novamoxin (TN); Ospamox (TN); P-Hydroxyampicillin; Pamoxicillin (TN); Panamox (TN); Panklav (TN); Polymox (TN); Ro 10-8756; Samthongcillin (TN); Sandoz (TN); Senox (TN); Sinacilin (TN); Tolodina (TN); Trimox (TN); Wymox (TN); Yucla (TN); Zerrsox (TN); Zimox (TN); Apo-Amoxi (TN); Alpha-Amino-p-hydroxybenzylpenicillin; D-2-Amino-2-(4-hydroxyphenyl)acetamidopenicillanic acid; D-(-)-alpha-Amino-p-hydroxybenzylpenicillin; (-)-6-(2-Amino-2-(P-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo-(3.2.0)heptane-2-carboxylic acid; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-, D-(8CI); 6-(D-(-)-alpha-Amino-p-hydroxyphenylacetamido)penicillanic acid; 6-(D-(-)-p-Hydroxy-alpha-aminobenzyl)penicillin; 6-(p-Hydroxy-alpha-aminophenylacetamido)penicillanic acid; 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carbonyl; 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2676	DB01060	DR00190	DR0104	365.4	C16H19N3O5S	158	590	-2	25	4	7	4	"1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C	LSQZJLSUYDQPKJ-NJBDSQKTSA-N
DG00184	Cephaloridine	5773	Cephaloridine; cefaloridine; Cefaloridin; Cephaloridin; Cephaloridinum; Cepaloridin; Cefalorizin; Cephalomycine; Cefaloridinum; Cepalorin; Cefaloridina; Loridine; Ceflorin; 50-59-9; Kefloridin; Glaxoridin; Ceporin; Vioviantine; Intrasporin; Sefacin; Keflordin; Deflorin; Cilifor; Ceporan; Sasperin; Faredina; Ceporine; Keflodin; Verolgin; Lloncefal; Kefspor; Ampligram; Betaine cephaloridine; CHEBI:3537; UNII-LVZ1VC61HB; Cefaloridinum [INN-Latin]; Cefaloridina [INN-Spanish]; N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate; SCH 	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3537	DB09008	DR00612	DR0285	415.5	C19H17N3O4S2	147	687	1.9	28	1	6	5	"1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4	CZTQZXZIADLWOZ-CRAIPNDOSA-N
DG00185	Anidulafungin	166548	Ecalta; Eraxis; Anidulafungin [USAN:INN]; Ecalta (TN); Eraxis (TN); LY-303366; V-Echinocandin; VER-002	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55346	DB00362	.	.	1140.2	C58H73N7O17	377	2150	2.3	82	14	17	14	"1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1"	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O	JHVAMHSQVVQIOT-MFAJLEFUSA-N
DG00186	Rifampin	135398735	"Abrifam; Archidyn; Arficin; Arzide; Benemicin; Benemycin; Dipicin; Doloresum; Eremfat; Famcin; Fenampicin; RFP; RMP; Ramp; Rifa; Rifadin; Rifadine; Rifagen; Rifaldazin; Rifaldazine; Rifaldin; Rifam; Rifamor; Rifampicin; Rifampicina; Rifampicine; Rifampicinum; Rifamsolin; Rifaprodin; Rifcin; Rifinah; Rifobac; Rifoldin; Rifoldine; Riforal; Rimactan; Rimactane; Rimactazid; Rimactizid; Rimazid; Rimycin; Sinerdol; Tubocin; Rifamicin AMP; Rifampicin SV; Rifampicine [French]; Rifampin [USAN]; Rifamycin AMP; Ba 41166; AZT + Rifampin; BA-41166E; Ba 41166/E; DRG-0109; Dione 21-acetate; L-5103; L-5103 Lepetit; Piperine & Rifampicin; R-Cin; R/AMP; Reserpine & Rifampicin; Rifadin (TN); Rifadin I.V; Rifampicin & EEP; Rifampicin & Propolis; Rifampicina [INN-Spanish]; Rifampicinum [INN-Latin]; Rifampin (USP); Rimactan (TN); Rimactane (TN); Rimycin (TN); Sinerdol (TN); Tubocin (TN); Rifadin I.V.; Rifampicin (JP15/INN); Rifampicin[INN:BAN:JAN]; Rifadin, Rimactane, Rifampicin, Rifampin; 1-b]furan-21-yl acetate; 3-(((4-Methyl-1-piperazinyl)imino)-methyl)rifamycin; 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV; 3-(4-Methylpiperazinyliminomethyl)-rifamycin SV; 3-(4-Methylpiperazinyliminomethyl)rifamycin SV; 3-([(4-Methyl-1-piperazinyl)imino]methyl)rifamycin SV; 3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV; 3-[[(4-Methyl-1-piperazinyl)imino]-methyl]rifamycin; 8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV; 8-(4-Methylpiperazinyliminomethyl) rifamycin SV; 8-[[(4-Methyl-1-piperazinyl)imino[methyl]rifamycin; 8-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin sv; 8-[[(4-Methylpiperazinyl)imino]methyl]rifamycin sv; 8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28077	DB01045	DR00196	DR1420	822.9	C43H58N4O12	220	1620	4.9	59	6	15	5	"1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C	JQXXHWHPUNPDRT-WLSIYKJHSA-N
DG00187	Tigecycline	54686904	"Tigilcycline; Tygacil; Tigecycline [USAN]; GAR 936; GAR-936; TBG-MINO; Tygacil (TN); Tygacil(TM); GAR-936,Tigecycline; Tigecycline (JAN/USAN); WAY-GAR-936; Tygacil, GAR-936, WAY-GAR-936, TBG-MINO, Tigecycline; N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(tert-butylamino)acetamide; (4S,12aS)-4,7-Bis(dimethylamino)-9-{2-[(tert-butyl)amino]acetylamino}-3,10,12,12a-tetrahydroxy-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide; (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 9-t-Butylglycylamido minocycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:149836	DB00560	.	.	585.6	C29H39N5O8	206	1240	1.1	42	7	11	7	"1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1"	CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C	SOVUOXKZCCAWOJ-HJYUBDRYSA-N
DG00188	Thiostrepton	16129666	"Thiostrepton; Thiostrepton from Streptomyces azureus; Bryamycin; Thiactin; Alaninamide,; 1393-48-2; NSC81722; NSC170365; NSC 81722; NSC 170365; CHEMBL1981887; CHEBI:94340; MolPort-003-939-599; NSC-81722; NSC-170365; NCGC00485235-01; Thiostrepton from Streptomyces azureus, &gt"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11467	.	.	1664.9	C72H85N19O18S5	701	3940	0.6	114	17	31	12	"1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+"	CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=C\\C)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C	NSFFHOGKXHRQEW-DVRIZHICSA-N
DG00189	Cyclosporin A	5284373	Cyclosporin A; cyclosporine; Neoral; Cyclosporin; Ciclosporine; Sandimmun; Sang-35	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4031	DB00091	DR00448	DR0321	1202.6	C62H111N11O12	279	2330	7.5	85	5	12	15	"1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1"	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	PMATZTZNYRCHOR-CGLBZJNRSA-N
DG00190	Rifapentine	135403821	"RIFAPENTINE; Rifapentina; Rifapentinum; Cyclopentylrifampicin; Rifamycin AF/ACPP; Antibiotic DL 473IT; KTC 1; 61379-65-5; MDL 473; DRG-0283; DL 473; R-773; R 77-3; 3-(N-(4-Cyclopentyl-1-piperazinyl)formimidoyl)rifamycin; 3-(4-Cyclopentyl-1-piperazinyl)iminomethylrifamycin SV; 3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin; Rifapentin,(S); NCGC00167431-01; ZINC169621228; NCGC00167431-03; AN-15578; RPE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45304	DB01201	.	DR1421	877	C47H64N4O12	220	1730	6.7	63	6	15	6	"1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C	WDZCUPBHRAEYDL-GZAUEHORSA-N
DG00191	Mefloquine	4046	"Lariam; Mefloquin; Mefloquina; Mefloquinone; Mefloquinum; Mephloquine; Racemic mefloquine; Ro 215998; WR 142490; Lariam (Hydrochloride); Lariam (TN); Mefaquin (TN); Mefloquina [INN-Spanish]; Mefloquinum [INN-Latin]; RO 13-7224; RO 13-7225; Ro 21-5998; SPB-80406; WR-142490; Mefloquine (USAN/INN); Mefloquine [USAN:INN:BAN]; RTI1169-1-1; RTI1172-1-1; RTI1173-1-1; RTI1174-1-1; RTI1188-1-1; RTI1189-1-1; Ro 21-5998 (Hydrochloride); WR-142,490; WR-177,602; Ro-21-5998-001; Alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol; Alpha-2-Piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol; [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol; Erthro-.alpha.-[2-piperidyl]-2,8-bis[trifluoromethyl]-4-quinolinemethanol; (+)-(11R,2'S)-erythro-Mefloquine; (+)-Mefloquine; (+)-Threo-Mefloquine; (-)-(11S,2'R)-erythro-Mefloquine; (-)-Mefloquine; (-)-Threo-Mefloquine; (DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol; (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol; (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63681	DB00358	.	.	378.31	C17H16F6N2O	45.2	483	3.6	26	2	9	2	"1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2"	C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O	XEEQGYMUWCZPDN-UHFFFAOYSA-N
DG00192	Ponatinib	24826799	Iclusig (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78543	DB08901	DR00204	.	532.6	C29H27F3N6O	65.8	910	4.1	39	1	8	6	"1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)"	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5	PHXJVRSECIGDHY-UHFFFAOYSA-N
DG00193	Imipenem	104838	"Imipemide; Tienamycin; Imipenem anhydrous; Imipenem (INN); N-Formimidoylthienamycin; Primaxin (TN); Imipenem, N-Formimidoyl thienamycin; [5R-[5.alpha.,6.alpha.(R*)]]-6-(1-Hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate; (5R,6S)-3-(2-Formimidoylamino-ethylsulfanyl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5R,6S)-6-((R)-1-Hydroxyethyl)-3-(2-(iminomethylamino)ethylthio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carbonsaeure; (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:471744	DB01598	.	DR2447	299.35	C12H17N3O4S	142	491	-0.7	20	3	6	6	"1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1"	C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O	ZSKVGTPCRGIANV-ZXFLCMHBSA-N
DG00195	OSI-027	135398516	.	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:91363	DB12387	.	.	406.4	C21H22N6O3	131	630	2	30	3	7	4	"1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24)"	COC1=CC=CC2=C1NC(=C2)C3=C4C(=NC=NN4C(=N3)C5CCC(CC5)C(=O)O)N	JROFGZPOBKIAEW-UHFFFAOYSA-N
DG00196	Benzenemethanol	119104	"1'-Acetoxychavicol acetate; 52946-22-2; 1'-Acetoxychavicol; UNII-SQV3080A20; CHEBI:469; 1'S-1'-Acetoxychavicol acetate; SQV3080A20; (alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol; [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate; Galangal acetate; (1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate; Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (.alpha.S)-; CCRIS 7708; 1'-Acethoxychavicol; AC1Q60ZN; AC1L3O7Q; GTPL6298; CHEMBL323727; SCHEMBL17454871; (S)-1'-Acetoxychavicol Acetate; benzenemethanol, 4-(acetyloxy)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:469	.	.	.	234.25	C13H14O4	52.6	290	2.2	17	0	4	6	"1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1"	CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C	JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
DG00197	Raltegravir	54671008	"RGV; MK 0518; Isentress(TM); K-0518; MK-0518; Raltegravir (INN); N-(2-(4-(4-fluorobenzylcarbamoyl); N-((4-Fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxamide; RAL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06817	.	.	444.4	C20H21FN6O5	150	836	1.1	32	3	9	6	"1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)"	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F	CZFFBEXEKNGXKS-UHFFFAOYSA-N
DG00198	Celastrol	122724	"Tripterin; Tripterine; Celastrol, Celastrus scandens; (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid; (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid; 3-Hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic Acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:63959	.	.	.	450.6	C29H38O4	74.6	1100	5.9	33	2	4	1	"1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1"	CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O	KQJSQWZMSAGSHN-JJWQIEBTSA-N
DG00199	Prednisone	5865	"Adasone; Ancortone; Bicortone; Cartancyl; Colisone; Cortan; Cortidelt; Cotone; Dacorten; Dacortin; Decortancyl; Decortin; Decortisyl; Dehydrocortisone; Dekortin; Dellacort; Deltacortene; Deltacortisone; Deltacortone; Deltasone; Deltison; Deltisona; Deltisone; Deltra; Diadreson; Econosone; Encorton; Encortone; Enkortolon; Enkorton; Fiasone; Hostacortin; Incocortyl; Juvason; Kortancyl; Lisacort; Lodotra; Metacortandracin; Meticorten; Nisona; Nizon; Novoprednisone; Nurison; Orasone; Panafcort; Panasol; Paracort; Parmenison; Pehacort; Precort; Predeltin; Prednicorm; Prednicort; Prednicot; Prednidib; Prednilonga; Prednison; Prednisona; Prednisonum; Prednitone; Prednizon; Prednovister; Presone; Pronison; Pronisone; Rectodelt; Retrocortine; Servisone; Sone; Sterapred; Supercortil; Ultracorten; Ultracortene; Winpred; Wojtab; Zenadrid; Dellacort A; Delta E; Delta cortelan; Liquid Pred; Origen Prednisone; Prednisone Intensol; Zenadrid [veterinary]; P1276; U 6020; Apo-Prednisone; Delta E.; Delta-Cortelan; Delta-Cortisone; Delta-Cortone; Delta-Dome; Delta-E; Delta1-Cortisone; Delta1-Dehydrocortisone; Di-Adreson; In-Sone; Me-Korti; Meticortelone (TN); Meticorten (TN); Meticorten (Veterinary); Metrevet (Veterinary); Prednicen-M; Prednisona [INN-Spanish]; Prednisone [INN:BAN]; Prednisonum [INN-Latin]; SK-Prednisone; Zenadrid (veterinary); Delta(sup 1)-Cortisone; Delta(sup 1)-Dehydrocortisone; Delta(sup1)-Cortisone; Delta-1-Cortisone; Delta-1-Dehydrocortisone; Deltasone, Liquid Pred, Orasone, Adasone, Deltacortisone,Prednisone; (1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,17-dione; (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione; (8xi,9xi,14xi)-17,21-dihydroxypregna-1,4-diene-3,11,20-trione; 1,2-Dehydrocortisone; 1,4-Pregnadiene-17-alpha,21-diol-3,11,20-trione; 1,4-Pregnadiene-17.alpha.,21-diol-3,11,20-trione; 1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione; 1-Cortisone; 1-Dehydrocortisone; 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione; 17alpha,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8382	DB00635	DR00438	DR1334	358.4	C21H26O5	91.7	764	1.5	26	2	5	2	"1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1"	C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C	XOFYZVNMUHMLCC-ZPOLXVRWSA-N
DG00200	Dexamethasone	5743	"Adexone; Anaflogistico; Aphtasolon; Aphthasolone; Auxiron; Azium; Calonat; Corson; Corsone; Cortisumman; DXM; Decacort; Decacortin; Decaderm; Decadron; Decagel; Decaject; Decalix; Decameth; Decasone; Decaspray; Dectancyl; Dekacort; Deltafluorene; Dergramin; Deronil; Desadrene; Desametasone; Desamethasone; Desameton; Deseronil; Dexacort; Dexacortal; Dexacortin; Dexadeltone; Dexafarma; Dexair; Dexalona; Dexaltin; Dexametasona; Dexameth; Dexamethansone; Dexamethasonum; Dexamethazone; Dexamonozon; Dexapolcort; Dexaprol; Dexason; Dexasone; Dexinolon; Dexinoral; Dexone; Dexonium; Dexpak; Dextelan; Dezone; Dinormon; Dxms; Fluormethylprednisolone; Fluormone; Fluorocort; Fortecortin; Gammacorten; Hexadecadrol; Hexadrol; IontoDex; Loverine; Luxazone; Maxidex; Mediamethasone; Methylfluorprednisolone; Mexidex; Millicorten; Mymethasone; Oradexon; Policort; Posurdex; Prodex; Spoloven; Superprednol; Turbinaire; Visumetazone; Alcon Brand of Dexamethasone; Bisu DS; Desametasone [DCIT]; Dexa Mamallet; Dexamethasone Base; Dexamethasone Intensol; Dexamethasone alcohol; ECR Brand of Dexamethasone; Foy Brand of Dexamethasone; Hexadrol Elixir; Hexadrol Tablets; ICN Brand of Dexamethasone; Lokalison F; Merck Brand of Dexamethasone; Pet Derm III; Prednisolon F; Prednisolone F; Sunia Sol D; Dexone 4; MK 125; Merz Brand 1 of Dexamethasone; Merz Brand 2 of Dexamethasone; Aeroseb-D; Aeroseb-Dex; Azium (Veterinary); Decadron (TN); Decadron Tablets, Elixir; Decadron, Dexamethasone; Decadron-LA; Dex-ide; Dexa-Cortidelt;Dexa-Cortisyl; Dexa-Mamallet; Dexa-Scheroson; Dexa-sine; Dexacen-4; Dexametasona [INN-Spanish]; Dexamethasonum [INN-Latin]; Dexone 0.5; Dexone 0.75; Dexone 1.5; Hl-dex; Isopto-Dex; OTO-104; Ocu-trol;Pet-Derm Iii; SK-Dexamethasone; Decaject L.A.; Dexamethasone [INN:BAN:JAN]; Decaject-L.A.; Dexamethasone (JP15/USP/INN); Delta1-9alpha-Fluoro-16alpha-methylcortisol; Delta(sup 1)-9-alpha-Fluoro-16-alpha-methylcortisol; (3H)-Dexamethasone; 1-Dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone; 1-Dehydro-16alpha-methyl-9alpha-fluorohydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-1-dehydrocortisol; 16-alpha-Methyl-9-alpha-fluoro-delta(sup 1)-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoro-delta1-hydrocortisone; 16-alpha-Methyl-9-alpha-fluoroprednisolone; 16.alpha.-Methyl-9.alpha.-fluoro-1-dehydrocortisol; 16.alpha.-Methyl-9.alpha.-fluoroprednisolone; 16alpha-Methyl-9alpha-fluoro-1-dehydrocortisol; 16alpha-Methyl-9alpha-fluoro-delta(sup 1)-hydrocortisone; 16alpha-Methyl-9alpha-fluoroprednisolone; 9-alpha-Fluoro-16-alpha-methylprednisolone; 9.alpha.-Fluoro-16.alpha.-methylprednisolone; 9A-FLUORO-16BETA-METHYLPREDNISOLONE; 9alpha-Fluoro-16alpha-methylprednisolone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41879	DB01234	DR00215	.	392.5	C22H29FO5	94.8	805	1.9	28	3	6	2	"1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	UREBDLICKHMUKA-CXSFZGCWSA-N
DG00201	Oxytetracycline	54675779	"Adamycin; Biostat; Dabicycline; Dalimycin; Fanterrin; Geomycin; Geotilin; Hydroxytetracycline; Imperacin; Lenocycline; Macocyn; OTC; Oksisyklin; Ossitetraciclina; Oxacycline; Oxitetraciclina; Oxitetracyclin; Oxitetracycline; Oxitetracyclinum; Oxymycin; Oxymykoin; Oxypam; Oxyterracin; Oxyterracine; Oxyterracyne; Oxytetracid; Oxytetracyclin; Oxytetracyclinum; Proteroxyna; Riomitsin; Ryomycin; Solkaciclina; Tarocyn; Tarosin; Teravit; Terrafungine; Terramitsin; Terramycin; Tetran; Unimycin; Ursocyclin; Ursocycline; Vendarcin; Biostat PA; Ossitetraciclina [DCIT]; Oxytetracycline HCl; Oxytetracycline [INN]; Oxytetracycline amphoteric; Oxytetracycline anhydrous; Oxytetracycline calcium; Terramycin im; Antibiotic TM 25; LA 200; Liquamycin LA 200; Mycoshield TMQTHC 20; Pennox 200; TM 5; Terramycin Q50; Geomycin (Streptomyces vimosus); OTC (antibiotic); Oxitetraciclina [INN-Spanish]; Oxytetracycline (anhydrous); Oxytetracycline (internal use); Oxytetracyclinum [INN-Latin]; Terramycin, Liquamycin, Oxytetracycline; (2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2E,4S,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 5-Hydroxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27701	DB00595	.	DR2697	460.4	C22H24N2O9	202	1000	-1.6	33	7	10	2	"1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1"	C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O	OWFJMIVZYSDULZ-PXOLEDIWSA-N
DG00202	Olaparib	23725625	"AZD 2281; AZD2281; AZD-2281; Acylpiperazine analogue, 47; KU-0059436; KU-59436; Olaparib, KU-0059436, AZD2281,KU0059436, AZD2281; 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one; 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:83766	DB09074	DR00221	DR1188	434.5	C24H23FN4O3	82.1	790	1.9	32	1	5	4	"1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)"	C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F	FDLYAMZZIXQODN-UHFFFAOYSA-N
DG00203	Rosuvastatin	446157	"Astende; Cirantan; Cresadex; Creston; Crestor; Provisacor; Razel; Rosedex; Rosimol; Rosumed; Rosustatin; Rosuvas; Rosuvast; Rosvel; Rovartal; Simestat; Sinlip; Vivacor; Rosuvastatin [INN]; Rosuvastatin calcium; Rosuvastatin calcium [USAN]; Rosuvastatin hemicalcium; S 4522; ZD 4522; ZD4522; AZD-4522; Creston (TN);Crestor (TN); Pyrimidine Compound, 26; Rosuvastatin (INN); S-4522; ZD 4522, calcium salt; ZD-4522; Rosuvastatin calcium (JAN/USAN); Bis[(E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino] pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhelpt-6-enoic acid] calcium salt; Calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate; (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid; (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid; (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; (S-((R*,S*-(E)))-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1); (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1); 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E); 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38545	DB01098	DR00223	DR1445	481.5	C22H28FN3O6S	149	767	1.6	33	3	10	10	"1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1"	CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	BPRHUIZQVSMCRT-VEUZHWNKSA-N
DG00204	Fulvestrant	104741	"Faslodex; AstraZeneca brand of fulvestrant; Fulvestrant [USAN]; Ici 182780; ZD 182780; ZM 182780; Faslodex (TN); ZD-182780; ZD-9238; ZM-182780; Faslodex(ICI 182,780); Faslodex, ICI 182780, Fulvestrant; Fulvestrant (JAN/USAN/INN); (7R,13S,17S)-13-methyl-7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (7R,8S,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl) nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol; 7-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)estra-1,3,5(10)-triene-3,17-diol; 7alpha-(9-((4,4,5,5,5,-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol; 7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol; 7alpha-[9[(4,4,5,5,5-Pentafluropentyl)sulfinyl]nonyl]-estra-1,3,5(10)-triene-3, 17 beta diol; ICI"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31638	DB00947	.	DR0756	606.8	C32H47F5O3S	76.7	854	9.2	41	2	9	14	"1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41 /m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	VWUXBMIQPBEWFH-WCCTWKNTSA-N
DG00205	PD-0325901	9826528	"PD 0325901; PD 325901; PD0325901; PD325901; PD-325901; S06-0029; N-[((R)-2,3-dihydroxypropyl)oxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide; N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]benzamide; N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:88249	DB07101	.	.	482.19	C16H14F3IN2O4	90.8	465	3	26	4	8	7	"1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1"	C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOC[C@@H](CO)O	SUDAHWBOROXANE-SECBINFHSA-N
DG00206	AZD-8055	25262965	"AZD8055; 1009298-09-2; AZD-8055; AZD 8055; [5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol; (5-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol; UNII-970JJ37FPW; 970JJ37FPW; CHEMBL1801204; AK109550; (5-(2,4-Bis((S)-3-methylmorpholino)pyrido-[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol; (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:91329	DB12774	.	.	465.5	C25H31N5O4	93.1	659	2.6	34	1	9	5	"1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1"	C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C	KVLFRAWTRWDEDF-IRXDYDNUSA-N
DG00207	Cefotiam	43708	"Aspil; CTM; Cefotiamum; Ceradolan; Haloapor; CEFOTIAM HYDROCHLORIDE; CGP 14221E; Abbott-48999; Aspil (TN); Cefotiam (INN); Cefotiam [INN:BAN]; Cefotiamum [INN-Latin]; SCE-963; CGP-14221-E; (6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}thio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7b-[2-(aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1h-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylic acid; 7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:355510	DB00229	DR01194	.	525.6	C18H23N9O4S3	251	848	-2.4	34	3	13	10	"1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1"	CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O	QYQDKDWGWDOFFU-IUODEOHRSA-N
DG00208	Everolimus	6442177	"Afinitor; Afinitor (TN); CERTICAN(R); Certican; Certican (TN); Everolimus (JAN/USAN/INN); Everolimus [USAN]; MTOR kinase inhibitors; NVP-RAD-001; RAD 001; RAD-001; RAD-001C; RAD001; RAD001, SDZ-RAD, Certican, Zortress, Afinitor, Everolimus; SDZ-RAD; Zortress"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68478	DB01590	DR00224	DR0674	958.2	C53H83NO14	205	1810	5.9	68	3	14	9	"1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1"	C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC	HKVAMNSJSFKALM-GKUWKFKPSA-N
DG00209	Sparfloxacin	60464	"Esparfloxacino; SPFX; Spara; Sparfloxacine; Sparfloxacinum; Zagam; AT 4140; CP 103826; PD 131501; PD131501; AT-4140; CP-103826; DRG-0143; Esparfloxacino [INN-Spanish]; Liposome-encapsulated sparfloxacin; PD 1315-1; PD-131501; RP-64206; Respipac (TN); Sparfloxacin & RU 40555; Sparfloxacine [INN-French]; Sparfloxacinum [INN-Latin]; Zagam (TN); Sparfloxacin, cis-isomer; Sparfloxacin (JAN/USAN/INN); Sparfloxacin [USAN:BAN:INN:JAN]; Cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; (cis)-5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclohexyl-7-(cis-3,5-dimethylpiperazino)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid & RU 40555; 5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9212	DB01208	DR00791	.	392.4	C19H22F2N4O3	98.9	691	0.1	28	3	9	3	"1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+"	C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F	DZZWHBIBMUVIIW-DTORHVGOSA-N
DG00210	Entecavir	135398508	"Baraclude; ETV; Entecavir hydrate; Entecavir monohydrate; BMS-200475; Baraclude (TN); Entecavir (INN); Entecavir (USAN); Entecavir hydrate (JAN); SQ-34676; 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1,9-dihydro-6H-purin-6-one-water (1/1); 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one; 6-H-Purin-6-one-,2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]; 9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)guanine monohydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:473990	DB00442	DR01277	.	277.28	C12H15N5O3	126	480	-1.3	20	4	5	2	"1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1"	C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N	QDGZDCVAUDNJFG-FXQIFTODSA-N
DG00211	AQ-13	9820475	"AQ-13 Dihydrochloride; 169815-40-1; UNII-PKT9732S5K; AQ 13; PKT9732S5K; DTXSID10168761; (N1-(7-Chloroquinolin-4-yl)-3-(N3,N3-diethylamino)propylamine) dihydrochloride; HY-100358; CS-0018673; 1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-diethyl-, dihydrochloride"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	364.7	C16H24Cl3N3	28.2	270	.	22	3	3	7	"1S/C16H22ClN3.2ClH/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16;;/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19);2*1H"	CCN(CC)CCCNC1=C2C=CC(=CC2=NC=C1)Cl.Cl.Cl	ZNHBPWZRWNFJPN-UHFFFAOYSA-N
DG00212	Genistein	5280961	"Bonistein; GEN; Genestein; Genisteol; Genisterin; Prunetol; Sophoricol; Differenol A; G 6649; G10000; IN1327; NPI 031L; STO514; TNP00151; GENISTEIN (ENDOCRINE DISRUPTER); Lactoferrin-genistein; PTI G4660 (Genistein); PTI-G4660; SIPI 807-1; C.I. 75610; SIPI-9764-I; ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)); 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; ,5,7-Trihydroxyisoflavone; 4',5, 7-Trihydroxyisoflavone; 4',5,7-Trihydroxy isoflavone; 4',5,7-Trihydroxyisoflavone; 4,5,7-Trihydroxyiso-flavone; 4,6,7-Trihydroxyisoflavone; 5,7,4'-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:28088	DB01645	DR00641	DR0768	270.24	C15H10O5	87	411	2.7	20	3	5	1	"1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H"	C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O	TZBJGXHYKVUXJN-UHFFFAOYSA-N
DG00213	Savolitinib	68289010	"1313725-88-0; AZD-6094; AZD6094; UNII-2A2DA6857R; CHEMBL3334567; 2A2DA6857R; Savolitinib [INN]; Volitinib(Savolitinib); Savolitinib [USAN:INN]; GTPL9918; SCHEMBL12489208; EX-A845; BDBM50023342; ZINC149738712; AKOS030526403; DB12048; compound 28 [PMID: 25148209]; HY-15959; AS-35250; 1H-1,2,3-Triazolo(4,5-b)pyrazine, 1-((1S)-1-imidazo(1,2-a)pyridin-6-ylethyl)-6-(1-methyl-1H-pyrazol-4-yl)-; KB-333895; FT-0700162; J-690125; 4-{1-[(1S)-1-{imidazo[1,2-a]pyri"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12048	.	.	345.4	C17H15N9	91.6	505	1.5	26	0	6	3	"1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1"	C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C	XYDNMOZJKOGZLS-NSHDSACASA-N
DG00214	Saracatinib	10302451	"H8H; AZD-0530; Saracatinib, AZD-0530, AZD0530; N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB11805	.	.	542	C27H32ClN5O5	90.4	743	4.1	38	1	10	8	"1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)"	CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl	OUKYUETWWIPKQR-UHFFFAOYSA-N
DG00215	Bacitracin A	10909430	"Altracin; Baciguent; Baciquent; Citracin; Fortracin; Bacitracin A; Bacitracin A1; Bacitracin A2a; Neosporin (TN); Solu-Tracin 50; Partyl-, (10.4)-lactam; L-Asparagine, N-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-4-thiazolyl]carbonyl]-L-leucyl-D-.alpha.-glutamyl-L-isoleucyl-L-lysyl-D-ornithyl-L-isoleucyl-D-phenylalanyl-L-histidyl-D-.alpha.-as; 11702_FLUKA; 11702_SIGMA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35862	DB00626	.	.	1422.7	C66H103N17O16S	556	2850	-4.1	100	17	21	31	"1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1"	CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4	CLKOFPXJLQSYAH-ABRJDSQDSA-N
DG00216	Rociletinib	57335384	"1374640-70-6; AVL-301; CO1686; UNII-72AH61702G; CNX-419; CO-1686 (AVL-301); Rociletinib(AVL-301,CNX-419,CO-1686); 72AH61702G; N-(3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide; CO 1686; Rociletinib (CO-1686, AVL-301); Rociletinib [USAN:INN]; Tube721; Rociletinib (USAN/INN); Rociletinib (CO-1686); SCHEMBL4177736; GTPL7966; CHEMBL3545308; EX-A228; MolPort-035-395-816; C27H28F3N7O3; HMS3653G08; BDBM149404; BCP07085; AOB87314; ZINC98043800; s7284"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	DB11907	.	.	555.6	C27H28F3N7O3	112	871	4	40	3	11	8	"1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)"	CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC	HUFOZJXAKZVRNJ-UHFFFAOYSA-N
DG00217	Parthenolide	7251185	"Parthenolide; 20554-84-1; (-)-Parthenolide; CHEBI:7939; Parthenolide, Tanacetum parthenium; 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone; partenolide; C15H20O3; 29552-41-8; Prestwick2_000550; Prestwick3_000550; Epitope ID:115014; SCHEMBL8220; BSPBio_001308; BSPBio_000599; MLS002153872; CHEMBL465158; BPBio1_000659; SCHEMBL13367522; BCBcMAP01_000041; Parthenolide, > MolPort-008-268-168; MolPort-003-959-089; HMS1361B10; HMS3402B10; HMS1989B10; HMS1791B10; HMS1569N21; HMS2096N21"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:7939	DB13063	.	.	248.32	C15H20O3	38.8	437	2.3	18	0	3	0	"1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1"	C/C/1=C\\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	KTEXNACQROZXEV-PVLRGYAZSA-N
DG00218	Omacetaxine mepesuccinate	285033	Synribo (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71019	DB04865	.	.	545.6	C29H39NO9	124	968	0.8	39	2	10	11	"1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1"	CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HYFHYPWGAURHIV-JFIAXGOJSA-N
DG00219	Dapsone	2955	"Aczone; Atrisone; Avlosulfon; Avlosulfone; Avlosulphone; Avsulfor; Croysulfone; Croysulphone; DADPS; DDS; Dapson; Dapsona; Dapsonum; Diaminodifenilsulfona; Diaminodiphenylsulfone; Diaphenylsulfon; Diaphenylsulfone; Diaphenylsulphon; Diaphenylsulphone; Diphenasone; Diphone; Disulone; Dubronax; Dubronaz; Dumitone; Eporal; Novophone; Protogen; Sulfadione; Sulfona; Sulfonyldianiline; Sulphadione; Sulphonyldianiline; Tarimyl; Udolac; Araldite HT; D SS; Diaminodifenilsulfona [Spanish]; Diaminodiphenyl sulfone;Fatol Brand of Dapsone; Metabolite C; Orsade Brand of Dapsone; Sulfone ucb; Sumicure S; Araldite HT 976; F 1358; HT 976; HY 976; Hardener HT 976; W R 448; WR 448; ALBB-005917; AZT + Dapsone cominbation; Aczone (TN); DDS (pharmaceutical); DDS, diaphenylsulfone; DDS, pharmaceutical; DSS (VAN); Dapsoderm-X; Dapson-Fatol; Dapsona [INN-Spanish]; Dapsone (USP); Dapsone [USAN:BAN]; Dapsonum [INN-Latin];Diamino-diphenyl sulphone; Diaphenylsulfone (JAN); IN-201; Mex-America Brand of Dapsone; P-Aminophenyl sulfone; Sulfanona-mae; Sulfon-mere; Sulfona-MAE; Sulphon-mere; Bis(4-aminophenyl) sulfone; Bis(4-aminophenyl)sulfone; Bis(4-aminophenyl)sulphone; Bis(p-aminophenyl) sulfone; Bis(p-aminophenyl)sulphone; Di(4-aminophenyl) sulfone; Di(4-aminophenyl)sulfone; Di(4-aminophenyl)sulphone; Di(p-aminophenyl) sulfone; Di(p-aminophenyl)sulphone; P,p-Diaminodiphenyl sulphone; P,p-Sulfonylbisbenzamine; P,p-Sulfonylbisbenzenamine; P,p-Sulphonylbisbenzamine; P,p-Sulphonylbisbenzenamine; P,p-Sulphonyldianiline; N, N'-Diphenyl sulfondiamide; N,N'-Diphenyl sulfondiamide; P, p'-Sulfonyldianiline; P,p'-Diaminodiphenyl sulfone; P,p'-sulfonyldianiline; Diamino-4,4'-diphenyl sulfone; Diamino-4,4'-diphenyl sulphone; Sulfone, 4,4'-Diaminophenyl; (4-sulfanilylphenyl)amine; 1,1'-Sulfonylbis(4-aminobenzene); 1,1'-Sulfonylbis[4-aminobenzene]; 1,1'-Sulphonylbis(4-aminobenzene); 4,4' Diaminophenyl Sulfone; 4,4'-Dapsone; 4,4'-Diaminodiphenyl sulfone; 4,4'-Diaminodiphenyl suphone; 4,4'-Diaminodiphenylsulfone; 4,4'-Sulfonylbisaniline; 4,4'-Sulfonylbisbenzamine; 4,4'-Sulfonylbisbenzenamine; 4,4'-Sulfonyldianiline;4,4'-Sulfonyldianiline (Dapsone); 4,4'-Sulphonylbisbenzamine; 4,4'-Sulphonylbisbenzenamine; 4,4'-Sulphonyldianiline; 4,4'-diaminophenyl sulfone; 4,4-Diaminodifenylsulfon; 4,4-Diaminodifenylsulfon [Czech]; 4,4-Sulfonyldianiline; 4-(4-aminophenyl)sulfonylaniline; 4-Aminop henyl sulfone; 4-Aminophenyl sulfone; 4-Aminophenylsulfone; 4-[(4-aminobenzene)sulfonyl]aniline; 4-[(4-aminophenyl)sulfonyl]aniline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4325	DB00250	.	DR0415	248.3	C12H12N2O2S	94.6	306	1	17	2	4	2	"1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2"	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	MQJKPEGWNLWLTK-UHFFFAOYSA-N
DG00220	Oxacillin	6196	"Bactocill; Ossacillina; Oxacilina; Oxacilline; Oxacillinum; Oxazocillin; Oxazocilline; Prostaphlin; Prostaphlyn; OXACILLIN SODIUM; Ossacillina [DCIT]; Sodium oxacillin; Bactocill (TN); MPI-penicillin; MPi-PC; Oxacilina (TN); Oxacilina [INN-Spanish]; Oxacillin (INN); Oxacillin [INN:BAN]; Oxacilline [INN-French]; Oxacillinum [INN-Latin]; Penicillin, Methylphenylisoxazolyl; Oxacillin, Monosodium Salt, Anhydrous; (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (5-methyl-3-phenyl-4-isoxazolyl)penicillin; 2,2-dimethyl-6beta-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3alpha-carboxylic acid; 5-Methyl-3-phenyl-4-isoxazolyl-penicillin; 6beta-(5-methyl-3-phenylisoxazol-4-yl)penicillanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7809	DB00713	DR00647	DR2321	401.4	C19H19N3O5S	138	681	2.4	28	2	7	4	"1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1"	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	UWYHMGVUTGAWSP-JKIFEVAISA-N
DG00221	Streptomycin	19649	"Agrept; Agrimycin; Gerox; Neodiestreptopab; SRY; Strepcen; Streptomicina; Streptomycine; Streptomycinum; Streptomyzin; Liposomal Streptomycin; Streptomicina [Italian]; Streptomycin A; Streptomycin A sulfate; Streptomycin Sesquisulfate Hydrate; Streptomycin sulfate; Streptomycin sulphate; Streptomyzin [German]; Agrept (TN); Estreptomicina [INN-Spanish]; Hokko-mycin; Plantomycin (TN); Rimosidin (TN); Streptomycin & EEP; Streptomycin & Propolis; Streptomycin (INN); Streptomycin (TN); Streptomycin [INN:BAN]; Streptomycin, Sulfate Salt; AS-50 (TN); STREPTOMYCIN SULFATE (2:3) SALT; Agri-mycin-17 (TN); O-2-Deoxy-2-(methylamino)-.alpha.-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-formyl-.alpha.-L-lyxofuranosyl-(1->4)-N,N'-bis(aminoiminomethyl)-D-streptamine and Liposome; N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1S,2S,3R,4S,5S,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 2-[(1S,4S)-5-(diaminomethylideneamino)-2-[(2R,5S)-3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine; [2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17076	DB01082	.	DR2387	581.6	C21H39N7O12	336	940	-8	40	12	15	9	"1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1"	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O	UCSJYZPVAKXKNQ-HZYVHMACSA-N
DG00222	Voriconazole	71616	"VCZ; Vfend; Pfizer brand of voriconazole; UK 109496; Voriconazole in combination with MGCD290; DRG-0301; UK 109,496; UK-109496; VFEND (TN); Vfend (TN); Vfend, Voriconazole; UK-109,496; Voriconazole [USAN:INN:BAN]; Voriconazole (JAN/USAN/INN); (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol; VRC"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10023	DB00582	DR00445	DR1709	349.31	C16H14F3N5O	76.7	448	1.5	25	1	8	5	"1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1"	C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	BCEHBSKCWLPMDN-MGPLVRAMSA-N
DG00223	Dihydroartemisinin	3000518	"Artenimol; Cotecxin; Dihydroartemisinine; Dihydroqinghaosu; Dihydroquinghaosu; Dihydroquinghoasu; VM3352; Artenimol (INN); JAV-110; GNF-PF-5634; (3R,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-ol; [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin; 1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol(Dihydroartemisinin)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:135921	DB11638	.	.	284.35	C15H24O5	57.2	415	2.5	20	1	5	0	"1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C	BJDCWCLMFKKGEE-ISOSDAIHSA-N
DG00224	Trichostatin A	444732	"Trichostatin A; 58880-19-6; Trichostatin A (TSA); TSA; Trichostatin; Tricostatin A; UNII-3X2S926L3Z; CHEBI:46024; (2E,4E,6R)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide; GNF-PF-1011; RTKIYFITIVXBLE-QEQCGCAPSA-N; 3X2S926L3Z; 7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide; 2,4-Heptadienamide, 7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-; 7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:46024	DB04297	.	.	302.37	C17H22N2O3	69.6	447	2.7	22	2	4	6	"1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1"	C[C@H](/C=C(\\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C	RTKIYFITIVXBLE-QEQCGCAPSA-N
DG00225	Ciprofloxacin XR	2764	Ciprofloxacin; 85721-33-1; Ciprofloxacine; Ciprobay; Ciproxan; Ciprofloxacina; Ciprofloxacinum; Ciprofloxacino; Cipro IV; Ciproxina; Ciprinol; Bernoflox; Ciprodar; Cifloxin; Septicide; Bacquinor; Ciproquinol; Cipromycin; Ciprocinol; Cipro XR; Superocin; Ciprowin; Ciprolon; Ciproflox; Ciprecu; BAY q 3939; Spitacin; Quintor; Quinolid; Proflaxin; Probiox; Ipiflox; Zumaflox; Ciproxine; Ciprolin; Roxytal; Italnik; Fimoflox; Corsacin; Citopcin; Ciprogis; Rancif; Ciriax; Ciplus; Baflox; Loxan; Cilab; Cycin; Cixan; Unex; GW1843; Ciprofloxacin Hydrochloride; Ciprofloxacin intratympanic - Otonomy	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100241	DB00537	DR00783	DR2273	331.34	C17H18FN3O3	72.9	571	-1.1	24	2	7	3	"1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	MYSWGUAQZAJSOK-UHFFFAOYSA-N
DG00226	Nevirapine	4463	"NEV; NVP; Viramune; Cahill May Roberts Brand of Nevirapine; Promeco Brand of Nevirapine; BI RG 587; BIRG 0587; BIRG 587; BIRG587; BIRG-0587; BIRG-587; NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE; Nevirapine & PRO 140; Nevirapine [USAN:INN]; Viramune (TN); Viramune(TM); BI-RG-587; Nevirapine & CD4-IgG; Nevirapine (JAN/USP/INN); Viramune, BI-RG 587, Nevirapine; BI-RG-587 & CD4-IgG; N11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e]-[1,4]diazepin-6-one & CD4-immunoadhesin; 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one; 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one & PRO 140 (Anti-CCR5 monoclonal antibody); 11-Cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; 11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63613	DB00238	DR00447	DR1142	266.3	C15H14N4O	58.1	397	2	20	1	4	1	"1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)"	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	NQDJXKOVJZTUJA-UHFFFAOYSA-N
DG00227	Meropenem	441130	"MEPM; MERONEM; Meropen; Merrem; Meropenem anhydrous; Mepem (TN); Meronem (TN); Meropen (TN); Meropenem (INN); Merrem (TN); Neopenem (TN); SM-7338; Meronem; Merrem I.V. (TN); (1R,5S,6S)-2-[(3S,5S)-5-(dimethylaminocarbonyl)pyrrolidin-3-ylthio]-6-[(R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylic acid trihydrate; (2S,3R,4R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid; (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (5S,6S)-3-((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-ylthio)-6-((S)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:43968	DB00760	DR01200	DR2491	383.5	C17H25N3O5S	136	679	-2.4	26	3	7	5	"1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O	DMJNNHOOLUXYBV-PQTSNVLCSA-N
DG00228	Docetaxel	148124	"EmDOC; TXL; Taxotere; Docetaxel anhydrous; ANX-514; Docetaxel (INN); Docetaxel, Trihydrate; RP-56976; SDP-014; Taxotere (TN); Taxotere(R); XRP-6976L; Docetaxel 114977-28-5; N-debenzoyl-N-Boc-10-deacetyl taxol; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel; N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol; (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4672	DB01248	DR00251	DR0520	807.9	C43H53NO14	224	1660	1.6	58	5	14	13	"1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O	ZDZOTLJHXYCWBA-VCVYQWHSSA-N
DG00229	Osimertinib	71496458	Tagrisso	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90943	DB09330	DR00655	DR1207	499.6	C28H33N7O2	87.6	752	3.7	37	2	7	10	"1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)"	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC	DUYJMQONPNNFPI-UHFFFAOYSA-N
DG00230	Bosutinib	5328940	"SKI 606; SKI606; Bosutinib (USAN); PF-5208763; SKI-606; Xy]-3-quinolinecarbonitrile; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propo; 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; Bosutinib (BCR-ABL inhibitor 3rd gen)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39112	DB06616	DR00253	DR0224	530.4	C26H29Cl2N5O3	82.9	734	5.4	36	1	8	9	"1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)"	CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC	UBPYILGKFZZVDX-UHFFFAOYSA-N
DG00231	Kirromycin	135484176	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	796.9	C43H60N2O12	224	1720	3.8	57	8	12	17	"1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1"	CC[C@H](C(=O)NC/C=C/C=C(\\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\\C)/C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\\C)(C)C)O)O)O	HMSYAPGFKGSXAJ-PAHGNTJYSA-N
DG00232	Piperaquine	122262	"Piperaquinoline; Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-); Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-(9CI); 1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane; 1,3-bis(4-(7'-chloro-4'-quinoline)-1-piperazine); 4,4'-(propane-1,3-diyldipiperazine-4,1-diyl)bis(7-chloroquinoline); 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91231	DB13941	.	DR1296	535.5	C29H32Cl2N6	38.7	655	5.6	37	0	6	6	"1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2"	C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl	UCRHFBCYFMIWHC-UHFFFAOYSA-N
DG00233	Co-trimoxazole	358641	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3770	.	.	.	543.6	C24H29N7O6S	212	653	.	38	4	13	8	"1S/C14H18N4O3.C10H11N3O3S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2-6H,11H2,1H3,(H,12,13)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	WZRJTRPJURQBRM-UHFFFAOYSA-N
DG00234	Fluphenazine	3372	"FLUPHENAZINE; Triflumethazine; Fluorophenazine; Fluorphenazine; Fluorfenazine; Siqualon; Elinol; 69-23-8; Phthorphenazine; Vespazine; Ftorphenazine; Siqualine; Sevinol; Pacinol; Fluphenazinum; Flufenazina; Prolixin; Flufenazin; Dapotum; Flufenazina [DCIT]; Yespazine; SQ 4918; Fluphenazine [INN:BAN]; Moditen (Tabl or elixir); Fluphenazinum [INN-Latin]; 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine; UNII-S79426A41Z; HSDB 3334; Dapotum; Prolixine; Fluphenazine hydrochloride; Moditen Hcl; Permitil Concentrate; Prolixin Concentrate; S94; Anatensol (TN); Apo-Fluphenazine; Dapotum (TN); Dapotum D (TN); Dapotum Injektion (TN); Decanoate (TN); Deconoate (TN); Enanthate (TN); Fludecate (TN); Flunanthate (TN); Fluphenazine (INN); Hydrochloride, Fluphenazine; Lyogen (TN); Modecate (TN); Moditen (TN); Moditen Enanthate Injection (TN); Omca (TN); Permitil (TN); Prolixin (TN); Sediten (TN); Selecten (TN); Sevinol (TN); Sinqualone (TN); Trancin (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5123	DB00623	DR00658	.	437.5	C22H26F3N3OS	55.2	544	4.4	30	1	8	6	"1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2"	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	PLDUPXSUYLZYBN-UHFFFAOYSA-N
DG00235	Ceftazidime	5481173	"Ceftazidima; Ceftazidimum; Ceptaz; Fortaz; Ceftazidime Sodium In Plastic Container; Ceftazidime anhydrous; Ceftazidime pentahydrate; Fortaz In Plastic Container; SN 401; CEFTAZIDIME (ARGININE FORMULATION); Ceftazidima [INN-Spanish]; Ceftazidime (INN); Ceftazidime (TN); Ceftazidimum [INN-Latin]; Cefzim (TN); Ceptaz (TN); Fortaz (TN); Fortum (TN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3508	DB00438	.	.	546.6	C22H22N6O7S2	245	1020	0.4	37	3	12	8	"1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1"	CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]	ORFOPKXBNMVMKC-DWVKKRMSSA-N
DG00236	Isepamicin	3037209	Isepacin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13540	.	.	569.6	C22H43N5O12	298	817	-6.9	39	12	16	9	"1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O	UDIIBEDMEYAVNG-ZKFPOVNWSA-N
DG00237	Lincomycin	3000540	"Cillimycin; Epilincomycin; Jiemycin; LCM; Lincocin; Lincocine; Lincolcina; Lincolnensin; Lincomicina; Lincomix; Lincomycine; Lincomycinum; Lincomyocin; Lincorex; Mycivin; Lincomycin A; Lincomycine [French]; CBMicro_021584; Lincomix 20; Pura Ject 100; Lincocin (TN); Lincomicina [INN-Spanish]; Lincomycine [INN-French]; Lincomycinum [INN-Latin]; U 10,149A; Lincomycin (USAN/INN); Lincomycin [USAN:INN:BAN]; Lincomycin, (2S-cis)-Isomer; Methyl 6,8-dideoxy-6-[(1-methyl-4-propylprolyl)amino]-1-thiooctopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6472	DB01627	.	.	406.5	C18H34N2O6S	148	499	0.2	27	5	8	7	"1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	OJMMVQQUTAEWLP-KIDUDLJLSA-N
DG00238	Novobiocin	54675769	"Albamix; Albamycin; Cardelmycin; Cathocin; Cathomycin; Inamycin; NOV; Novobiocina; Novobiocine; Novobiocinum; Robiocina; Sirbiocina; Spheromycin; Stilbiocina; Streptonivicin; Crystallinic acid; Novobiocin sodium salt; PA 93; U 6391; Albamycin (TN); Antibiotic PA-93; Novo-R; Novobiocin [INN:BAN]; Novobiocina [INN-Spanish]; Novobiocine [INN-French]; Novobiocinum [INN-Latin]; Streptonivicin (*Sodium salt*); [(3R,4S,5R,6R)-5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate; N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl); (3R,4S,5R,6R)-5-hydroxy-6-{[4-hydroxy-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate; (3r,4s,5r,6r)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-4-oxo-4h-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2h-pyran-4-yl carbamate(non-preferred name); 7-(3-(O-Carbamoyl)-4-(O-methyl)-5,5-dimethyl-alpha-L-lyxopyranosyloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamidol)-8-methylcumarin; 7-(Carbamoyltetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamide)-8-methyl-2H-chromen-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28368	DB01051	.	.	612.6	C31H36N2O11	196	1150	3.3	44	5	11	9	"1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1"	CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O	YJQPYGGHQPGBLI-KGSXXDOSSA-N
DG00239	Ertapenem	150610	"Ertapenem [INN]; Ertapenem (INN); Invanz (TN); (1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid; (4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:404903	DB00303	.	DR2457	475.5	C22H25N3O7S	182	893	-1.5	33	5	9	7	"1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O	JUZNIMUFDBIJCM-ANEDZVCMSA-N
DG00240	Norfloxacin	4539	"Baccidal; Barazan; Chibroxin; Fulgram; Lexinor; NFLX; Norflo; Norfloxacine; Norfloxacino; Norfloxacinum; Noroxin; Sebercim; Merck Brand of Norfloxacin; Norfloxacin Merck Brand; AM 0715; AM 715; AM0715; MK 0366; MK 366; MK0366; MK366; AM-0715; AM-715; Chibroxin (TN); Insensye (TN); MK-0366; MK-366; Norflohexal (TN); Norfloxacine [INN-French]; Norfloxacino [INN-Spanish]; Norfloxacinum [INN-Latin]; Norfocin (TN); Noroxin (TN); Nufloxib (TN); Roxin (TN); Utin (TN); Utinor (TN); Apo-Norflox (TN); Norfloxacin (JP15/USP/INN); Norfloxacin [USAN:BAN:INN:JAN]; Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin, Norfloxacin; 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[1-piperazinyl]-3-quinoline-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100246	DB01059	DR01204	DR1176	319.33	C16H18FN3O3	72.9	519	-1	23	2	7	3	"1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)"	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O	OGJPXUAPXNRGGI-UHFFFAOYSA-N
DG00241	Lenalidomide	216326	"Revamid; Revimid; Revlimid; Celgene brand of lenalidomide; Lenalidomide [USAN]; CC 5013; CC5013; CDC 501; IMiD3; IMiD3cpd; ALBB-015321; CC-5013; CDC-501; CDC-5013; ENMD-0997; IMID-5013; Revlimid (Celgene); Revlimid (TN); Thalidomide analog CC-5013; Lenalidomide (USAN/INN); CC-5013, Revlimid, Lenalidomide; 3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione; 3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione; 3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione; 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; Lenalidomide (Immunomodulator)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63791	DB00480	DR00261	.	259.26	C13H13N3O3	92.5	437	-0.5	19	2	4	1	"1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)"	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	GOTYRUGSSMKFNF-UHFFFAOYSA-N
DG00242	Macrolides	5280440	Tylosin; tylosin tartrate; Tilosina; Tylosinum; UNII-YEF4JXN031; Tylosine; Tylocine; Tylan; Tylosin A; 1401-69-0; YEF4JXN031; Fradizine; CHEBI:17658; Vubityl 200; Tylosinum [INN-Latin]; Tylosine [INN-French]; Tilosina [INN-Spanish]; HSDB 7022; EINECS 215-754-8; AI3-29799; SR-05000002057; Tylosin [USP:INN:BAN]; Tylan (TN); Tylosin (USP/INN); AC1NQX0W	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17658	DB11475	.	.	916.1	C46H77NO17	239	1560	1	64	5	18	13	"1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1"	CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	WBPYTXDJUQJLPQ-VMXQISHHSA-N
DG00244	Neratinib	9915743	Neratinib (ERBB2 inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:61397	DB11828	.	DR1887	557	C30H29ClN6O3	112	881	4.9	40	2	8	11	"1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+"	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C	JWNPDZNEKVCWMY-VQHVLOKHSA-N
DG00245	Amorolfine	54260	"Loceryl; Pekiron; MT-861; Amorolfine (cream, onychomycosis); Ro-14-4767; Amorolfine (cream, onychomycosis), Roche; Ro-14-4767/002"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:599440	DB09056	.	.	317.5	C21H35NO	12.5	336	5.7	23	0	2	6	"1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16 ,17-,18+"	CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C	MQHLMHIZUIDKOO-AYHJJNSGSA-N
DG00246	Elvitegravir	5277135	EVG	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72289	DB09101	.	DR0570	447.9	C23H23ClFNO5	87.1	702	5.3	31	2	7	7	"1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1"	CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O	JUZYLCPPVHEVSV-LJQANCHMSA-N
DG00247	Enzalutamide	15951529	MDV3100; Enzalutamide (AR inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68534	DB08899	.	DR0583	464.4	C21H16F4N4O2S	109	839	3.6	32	1	8	3	"1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)"	CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C	WXCXUHSOUPDCQV-UHFFFAOYSA-N
DG00248	Isoarnebin 4	479503	"Shikonin; NSC 252844; Shikonin S; Shikonin,(S); Tokyo Violet"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:81068	.	.	.	288.29	C16H16O5	94.8	501	3	21	3	5	3	"1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1"	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-SNVBAGLBSA-N
DG00249	Verapamil	2520	"Arpamyl; Calan; Calcan; Cordilox; Dexverapamil; Dilacoran; Drosteakard; Iproveratril; Isoptimo; Isoptin; Isotopin; Vasolan; Veracim; Verapamilo; Verapamilum; Veraptin; Verexamil; Bosoptin (TN); Calan (TN); D-365; Isoptin (TN); Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]; Verelan (TN); CP-16533-1; Covera-HS (TN); Verapamil (USAN/INN); Verapamil [USAN:BAN:INN]; Verapamil [USAN:INN:BAN]; Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; (+-)-Verapamil; (+/-)-VERAPAMIL; (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verapamil (Na-Ca chanel blocker)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77733	DB00661	DR00264	.	454.6	C27H38N2O4	64	606	3.8	33	0	6	13	"1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3"	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	SGTNSNPWRIOYBX-UHFFFAOYSA-N
DG00250	Sunitinib	5329102	"Sunitanib; Sunitinibum; Sutent; PDGF TK antagonist; SU 11248; SU11248; KS-5022; SU-11248; SU-11248J; SU-12662; Su-011248; Sunitinib (INN); Sunitinib (free base); Sutent (TN); N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; 5-(5-FLUORO-2-OXO-1,2-DIHYDRO-INDOL-3-YLIDENEMETHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID (2-DIETHYLAMINO-ETHYL)-AMIDE; Sunitinib (Pan-TK inhibitor)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38940	DB01268	DR00454	.	398.5	C22H27FN4O2	77.2	636	2.6	29	3	4	7	"1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-"	CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\\2/C3=C(C=CC(=C3)F)NC2=O)C	WINHZLLDWRZWRT-ATVHPVEESA-N
DG00251	Clindamycin	446598	"Antirobe; CLDM; CLY; Chlolincocin; Chlorlincocin; Chlorodeoxylincomycin; Chlorolincomycin; Cleocin; ClindaDerm; Clindamicina; Clindamycine; Clindamycinum; Clinimycin; Dalacine; Klimicin; Sobelin; Zindaclin; Cleocin HCl; Cleocin T Gel; Cleocin T Lotion; Cleocin T Topical Solution; Clindamycine [French]; Dalacin C; Dalacin C Flavored Granules; Dalacin C Phosphate; Dalacin T Topical Solution; ResiDerm A; Klindan 300; U 21251; Cleocin (TN); Clindacin (TN); Clindamicina [INN-Spanish]; Clindamycin & Interleukin 12; Clindamycin & VRC3375; Clindamycine [INN-French]; Clindamycinum [INN-Latin]; Dalacin (TN); Evoclin (TN); U-21251; CLINDA & IL-12; Clindamycin (USAN/INN); Clindamycin [USAN:BAN:INN]; U-21,251; 7(S)-Chloro-7-deoxylincomycin; 7-CDL; 7-Chloro-7-deoxylincomycin; 7-Chlorolincomycin; 7-Deoxy-7(S)-chlorolincomycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01190	.	DR0340	425	C18H33ClN2O5S	128	502	2.2	27	4	7	7	"1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	KDLRVYVGXIQJDK-AWPVFWJPSA-N
DG00252	Penicillin	2349	"Cillin; Pentids; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (Phenylmethyl)penicillin; 7005-30-3; NSC131815; (Phenylmethyl)penicillinic acid; 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; AC1L1DHC; AC1Q5UVJ; Penicilline G sodium salt; Oprea1_713794; Oprea1_861345; CHEMBL300052; SCHEMBL2109546; CTK2H5530"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01053	.	.	334.4	C16H18N2O4S	112	530	1.8	23	2	5	4	"1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)"	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	JGSARLDLIJGVTE-UHFFFAOYSA-N
DG00253	NVP-TAE684	16038120	"761439-42-3; NVP-TAE684; NVP-TAE 684; TAE684; TAE-684; 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; TAE684 (NVP-TAE684); TAE 684; UNII-EH1713MN4K; CHEMBL509032; EH1713MN4K; 5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine; C30H40ClN7O3S"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91338	.	.	.	614.2	C30H40ClN7O3S	111	940	5.7	42	2	10	9	"1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)"	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	QQWUGDVOUVUTOY-UHFFFAOYSA-N
DG00254	Mitoxantrone	4212	"DHAD; DHAQ; Dihydroxyanthraquinone; MIX; Misostol; Mitoxanthrone; Mitoxantron; Mitoxantrona; Mitoxantronum; Mitozantrone; DHAQ HCl; Mitoxantrone [INN]; Mitozantrone hydrochloride; Mitoxantrone 2HCl; Liposome Encapsulated Mitoxantrone (LEM); Misostol (TN); Mitoxantrona [INN-Spanish]; Mitoxantrone (INN); Mitoxantrone (free base); Mitoxantronum [INN-Latin]; Novantrone (TN); AN-584/42007670; Novantrone(R) (mitoxantrone for injection concentrate); DHAQ (*Diacetate salt*); MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE; MITOXANTRONE, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE; 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE; 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon; 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinone; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone; 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-(9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50729	DB01204	DR00269	DR1102	444.5	C22H28N4O6	163	571	1	32	8	10	12	"1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2"	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	KKZJGLLVHKMTCM-UHFFFAOYSA-N
DG00255	Leucovorin	135403648	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15640	DB00650	DR00238	.	473.4	C20H23N7O7	216	911	-1.2	34	7	10	9	"1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12 ,13-/m0/s1"	C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	VVIAGPKUTFNRDU-ABLWVSNPSA-N
DG00256	Chlortetracycline	54675777	Aureomycin	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27644	DB09093	.	.	478.9	C22H23ClN2O8	182	1010	-1.3	33	6	9	2	"1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1"	C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O	DHPRQBPJLMKORJ-XRNKAMNCSA-N
DG00257	Enoxacin	3229	"Almitil; Bactidan; Comprecin; Enoram; Enoxacine; Enoxacino; Enoxacinum; Enoxin; Enoxor; Flumark; Penetrex; Enoxacin Sesquihydrate; Enoxacine [French]; Enoxacino [Spanish]; Enoxacinum [Latin]; Faulding Brand of Enoxacin; Pierre Fabre Brand of Enoxacin Sesquihydrate; Rhone Poulenc Rorer Brand of Enoxacin Sesquihydrate; AT 2266; AT2266; CI919; CL23362; E0762; PD 107779; PD107779; AT-2266; Almitil (TN); Bactidan (TN); Bactidron (TN); Comprecin (TN); Enoksetin (TN); Enoxen (TN); Enoxin (TN); Enoxor (TN); Enroxil (TN); Flumark (TN); Gyramid (TN); PD-107779; Penetrex (TN); Rhone-Poulenc Rorer Brand of Enoxacin Sesquihydrate; Sesquihydrate, Enoxacin; Vinone (TN); Enoxacin (USAN/INN); Enoxacin [USAN:BAN:INN:JAN]; 1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-7-piperazinyl; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid; 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:157175	DB00467	DR01280	.	320.32	C15H17FN4O3	85.8	521	-0.2	23	2	8	3	"1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)"	CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O	IDYZIJYBMGIQMJ-UHFFFAOYSA-N
DG00258	Sulfamethoxazole	5329	"Sulfamethoxazole; 723-46-6; Gantanol; Sulphamethoxazole; Sulfisomezole; Sulfamethoxazol; Metoxal; Sulfamethylisoxazole; Simsinomin; Radonil; Sinomin; Sulphamethoxazol; 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide; Sulpha-methoxizole; Sulfamethalazole; Azo-gantanol; Sulphamethylisoxazole; Urobak; Sulfamethoxizole; 3-Sulfanilamido-5-methylisoxazole; Gantanol-DS; 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; Bactrimel; Gamazole; Sulphisomezole; Sulfametoxazol; Solfametossazolo; Sulfamethoxazolum; Ro 4-2130; SMX; Septran; Sulphamethalazole; Trib; Solfametossazolo [DCIT]; Sulfamethoxazole sodium; MS 53; Sulphamethoxazole BP 98; ALBB-002089; Apo-Sulfamethoxazole; Bactrim (TN); Septra (TN); Septrin (TN); Sulfamethoxazolum [INN-Latin]; Sulfametoxazol [INN-Spanish]; Ro 6-2580/11; Ro-4-2130; Sulfamethoxazole [USAN:INN:JAN]; Sulfamethoxazole (JP15/USP/INN); N1-(5-Methyl-3-isoxazolyl)sulfanilamide; N1-(5-Methylisoxazol-3-yl)sulfanilamide; SULFAMETHOXAZOLE (8064-90-2 (TRIMETHOPRIM/SULFAMETHOXAZOLE); N'-(5-Methyl-3-isoxazole)sulfanilamide; N'-(5-Methyl-3-isoxazolyl)sulfanilamide; N'-(5-Methylisoxazol-3-yl)sulphanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide; N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide; Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-(8CI); 3-(p-Aminophenylsulfonamido)-5-methylisoxazole; 3-(para-Aminophenylsulphonamido)-5-methylisoxazole; 3-Sulphanilamido-5-methylisoxazole; 4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide; 4-Amino-N-[5-methyl-3-isoxazolyl]benzenesulfonamide; 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 5-Methyl-3-sulfanilamidoisoxazole; 5-Methyl-3-sulfanylamidoisoxazole; 5-Methyl-3-sulphanil-amidoisoxazole; Sulphameth oxazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9332	DB01015	DR01206	DR1511	253.28	C10H11N3O3S	107	346	0.9	17	2	6	3	"1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)"	CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N	JLKIGFTWXXRPMT-UHFFFAOYSA-N
DG00259	Demeclocycline	54680690	"Bioterciclin; Clortetrin; DMCT; DMCTC; Declomycin; Deganol; Demeclociclina; Demeclocyclinum; Demeclor; Demethylchlorotetracycline; Demethylchlortetracyclin; Demethylchlortetracycline; Demethylchlortetracyclinum; Demetraclin; Diuciclin; Ledermycin; Methylchlorotetracycline; Mexocine; Novotriclina; Perciclina; Sumaclina; Demeclocycline Monohydrochloride; Demethylchlortetracycline base; Ledermycin hydrochloride; RP 10192; DMCT (antibiotic); Declomycin (TN); Declostatin (TN); Demeclociclina [INN-Spanish]; Demeclocycline (USP); Demeclocycline [USAN:BAN]; Demeclocyclinum [INN-Latin]; Demethylchlortetracycline (JAN); Ledermycin (TN); Tri-demethylchlortetracycline; [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide; (2E)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2E,4S,4aS,5aS,6R,12aR)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 6-Demethyl-7-chlorotetracycline; 6-Demethyl-7-chlortetracycline; 6-Demethylchlorotetracycline; 6-Demethylchlortetracycline; 6-Demetil-7-clorotetraciclina; 6-Demetil-7-clorotetraciclina [Italian]; 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide; 7-Chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide; 7-Chloro-6-demethyltetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4392	DB00618	.	.	464.9	C21H21ClN2O8	182	961	0.7	32	6	9	2	"1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1"	CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O	GUXHBMASAHGULD-SEYHBJAFSA-N
DG00260	Betulinic acid	64971	"Betulinic acid; 472-15-1; Mairin; Betulic acid; NSC 113090; CCRIS 6748; 3-Hydroxylup-20(29)-en-28-oic acid; UNII-4G6A18707N; 3beta-Hydroxy-20(29)-lupaene-28-oic acid; EINECS 207-448-8; NSC677578; als-357; NSC 677578; CHEMBL269277; CHEBI:3087; 3beta-Hydroxy-lup-20(29)-en-28-oic acid; 4G6A18707N; Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-; AK-72848; Lupatic Acid; SMR000445624"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:3087	DB12480	.	.	456.7	C30H48O3	57.5	861	8.2	33	2	3	2	"1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O	QGJZLNKBHJESQX-FZFNOLFKSA-N
DG00261	Doxycycline	54671203	"Atridox; Azudoxat; DOXY; Deoxymykoin; Dossiciclina; Doxiciclina; Doxitard; Doxivetin; Doxycen; Doxychel; Doxycin; Doxycyclin; Doxycyclinum; Doxysol; Doxytec; Doxytetracycline; Hydramycin; Investin; Jenacyclin; Liviatin; Monodox; Oracea; Ronaxan; Spanor; Supracyclin; Vibramycin; Vibramycine; Vibravenos; DOXCYCLINE ANHYDROUS; DOXYCYCLINE CALCIUM; DOXYCYCLINE MONOHYDRATE; Dossiciclina [DCIT]; Doxiciclina [Italian]; Doxycycline anhydrous; Doxycycline hyclate; Vibramycin Novum; Alpha-Doxycycline; Alti-Doxycycline; Apo-Doxy; BMY-28689; BU-3839T; Doxiciclina [INN-Spanish]; Doxy-Caps; Doxy-Puren; Doxy-Tabs; Doxychel (TN); Doxycycline (INN); Doxycycline (TN); Doxycycline (anhydrous); Doxycycline (internal use); Doxycycline-Chinoin; Doxycyclinum [INN-Latin]; Novo-Doxylin; Nu-Doxycycline; Periostat (TN); Vibra-tabs; Alpha-6-Deoxyoxytetracycline; DMSC (*Fosfatex); Doxycycline (200mg/day) or Placebo; Monodox (*monohydrate); Vibramycin (*monohydrate); Vivox (*Hyclate); GS-3065 (*monohydrate); Alpha-6-Deoxy-5-hydroxytetracycline; (2E,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS); 5-Hydroxy-alpha-6-deoxytetracycline; 6-Deoxyoxytetracycline; 6-Deoxytetracycline; 6-alpha-Deoxy-5-oxytetracycline; 6alpha-Deoxy-5-oxytetracycline"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50845	DB00254	DR00666	DR0547	444.4	C22H24N2O8	182	956	-0.7	32	6	9	2	"1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1"	C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O	SGKRLCUYIXIAHR-AKNGSSGZSA-N
DG00262	Artemisinin	68827	"Arteannuin; Artemisine; Artemisinina; Artemisinine; Artemisininum; Artesin; Huanghuahaosu; Qinghaosu; Qinghosu; Quinghaosu; Artemisinin [INN]; Artemisinina [Spanish]; Artemisinine [French]; Artemisininum [Latin]; Qing Hau SU; Qing Hau Sau; Qing Hau Sau [Chinese]; Qinghaosu [Chinese]; Quing Hau Sau; Artemisinin (INN); Coartem, Artemisinin; Artemisia annua L., extract; GNF-PF-5671; GNF-Pf-5341; Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; (+)-Arteannuin; (+)-Artemisinin; (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one; (3R,5aS,6R,8aS,9R,12S,12aR)-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one; (5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one; 1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one; 3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:223316	DB13132	.	.	282.33	C15H22O5	54	452	2.8	20	0	5	0	"1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1"	C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C	BLUAFEHZUWYNDE-NNWCWBAJSA-N
DG00263	Clofazimine	2794	"Clofazimine; 2030-63-9; Lamprene; Lampren; Chlofazimine; Clofazimina; Clofaziminum; Clofaziminum [INN-Latin]; B 663 (Pharmaceutical); Clofazimina [INN-Spanish]; B-663; NSC-141046; G 30320; UNII-D959AE5USF; B 663 (VAN); C27H22Cl2N4; 3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin; B 663; 3-(p-Chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine; 3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine; EINECS 217-980-2; CFZ; SMP2_000339; B 663, pharmaceutical; G-30320; Lamprene (TN); Liposome-encapsulated clofazimine; Clofazimine [USAN:INN:BAN]; G-30,320; Clofazimine (JAN/USP/INN); N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(isopropylimino)phenazin-2-amine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-(1-methylethyl)imino)-2-phenazinamine; N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinamine; N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine; (3Z)-N,5-bis(4-chlorophenyl)-3-[(1-methylethyl)imino]-3,5-dihydrophenazin-2-amine; 3-(p-Chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine; 3-(p-Chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin [German]; Riminophenazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3749	DB00845	DR00669	DR0346	473.4	C27H22Cl2N4	40	829	7.1	33	1	4	4	"1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3"	CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl	WDQPAMHFFCXSNU-UHFFFAOYSA-N
DG00264	Flucytosine	3366	"Alcobon; Ancobon; Ancotil; Ancotyl; Flucitosina; Flucystine; Flucytosin; Flucytosinum; Flucytosone; Fluocytosine; Fluorcytosine; Fluorocytosine; Flucitosina [DCIT]; F0321; LT00771985; Ancobon (TN); Flucytosinum [INN-Latin]; GL663142 & 5FC; Ro 2-9915; Ro 29915 E/265601; Ro-2-9915; Flucytosine (JP15/USP/INN); Flucytosine [USAN:INN:BAN:JAN]; Cytosine, 5-fluoro-(6CI,7CI,8CI); GL663142 & 4-Amino-5-fluoropyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-); 2-Hydroxy-4-amino-5-fluoropyrimidine; 4-Amino-5-fluoro-2(1H)-pyrimidinone; 4-Amino-5-fluoro-2-hydroxypyrimidine; 4-Amino-5-fluoro-2-hyroxypyrimidine; 4-Amino-5-fluoropyrimidin-2(1H)-one; 5-FC; 5-Flucytosine; 5-Fluorocystosine; 5-Fluorocytosin; 5-Fluorocytosine; 5-Fluorocytosine-6-3H; 5-Flurocytosine; 5-fluoro cytosine; 5987P; 6-Amino-2-oxo-5-fluoropyrimidine; 6-amino-5-fluoro-1H-pyrimidin-2-one; 9074P"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5100	DB01099	.	DR2287	129.09	C4H4FN3O	67.5	208	-0.9	9	2	3	0	"1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)"	C1=NC(=O)NC(=C1F)N	XRECTZIEBJDKEO-UHFFFAOYSA-N
DG00265	Hygromycin B	56928061	AC1NUSSH	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11520	.	.	527.5	C20H37N3O13	272	756	-6.6	36	11	16	6	"1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20 /m1/s1"	CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N	GRRNUXAQVGOGFE-HUCHGKBZSA-N
DG00266	Bortezomib	387447	"179324-69-7; Velcade; Bortezomib (PS-341); UNII-69G8BD63PP; N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE; MLN-341; [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid; [(1R)-3-Methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid; CHEMBL325041; 69G8BD63PP; Boronic acid,; DPBA; PROSCRIPT BORONIC ACID; LPD 341; LPD-341; VELCADE (TN); Velcade (TN); Pyz-Phe-boroLeu; Bortezomib(JAN/USAN/INN); Velcade, MG-341, PS-341, Bortezomib; N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide; Bortezomib (Proteasome inhibitor); Peptide boronate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52717	DB00188	DR01331	DR0221	384.2	C19H25BN4O4	124	500	.	28	4	6	9	"1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1"	B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	GXJABQQUPOEUTA-RDJZCZTQSA-N
DG00267	Methotrexate	126941	"Methotrexate; 1959/5/2; Rheumatrex; Amethopterin; Metatrexan; Hdmtx; Abitrexate; Mexate; Methylaminopterinum; Methotrexatum; Antifolan; Metotrexato; Methylaminopterin; MTX; (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; Methotrexat; Amethopterine; Maxtrex; Rasuvo; L-Amethopterin; A-Methopterin; A-Methpterin; Amethopterin L-; Folex-Pfs; Methotrexat-Ebewe; N-Bismethylpteroylglutamic acid; Methotrexate, L-; Metotressato [DCIT]; Methotextrate; Mexate-Aq; [3H]methotrexate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44185	DB00563	DR00082	DR1045	454.4	C20H22N8O5	211	704	-1.8	33	5	12	9	"1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-ZDUSSCGKSA-N
DG00268	Calcitriol	5280453	"Calcitriol; Rocaltrol; 32222-06-3; Calcijex; Topitriol; 1alpha,25-Dihydroxyvitamin D3; Silkis; Soltriol; 1alpha,25-Dihydroxycholecalciferol; Calcitriolum; Dihydroxyvitamin D3; 1,25-DHCC; 1,25-Dihydroxyvitamin D; Vectical; 1,25-DIHYDROXYCHOLECALCIFEROL; 1,25-Dihydroxyvitamin D3; 1alpha,25-Dihydroxyvitamin D; 1-alpha,25-Dihydroxyvitamin D3; Calcitriolum [INN-Latin]; UNII-FXC9231JVH; 1alpha,25(OH)2D3; DN-101; 1,25-Dihydroxycholecaliferol; CCRIS 5522; Ro 21-5535; HSDB 3482; 1-alpha,25-Dihydroxycholecalciferol; EINECS 250-963-8; DN 101; Calcitriol (chemotherapy-induced alopecia); Calcitriol (chemotherapy-induced alopecia), Cytotech Labs; Calcitriol (API-31543, drug-induced alopecia), Cytotech Labs; 1alpha,25 dihydroxyvitamin D(3)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17823	DB00136	.	DR0260	416.6	C27H44O3	60.7	688	5.1	30	3	3	6	"1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1"	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C	GMRQFYUYWCNGIN-NKMMMXOESA-N
DG00269	Rilpivirine	6451164	"500287-72-9; TMC278; Edurant; TMC 278; UNII-FI96A8X663; R278474; TMC-278; 4-{[4-({4-[(E)-2-Cyanoethenyl]-2,6-Dimethylphenyl}amino)pyrimidin-2-Yl]amino}benzonitrile; CHEBI:68606; FI96A8X663; R 278474; 4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile; (E)-4-((4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile; (E)-4-(4-(4-(2-cyanovinyl)-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile; W-202888; RPV; Mu O-conotoxin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68606	DB08864	.	.	366.4	C22H18N6	97.4	607	4.5	28	2	6	5	"1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+"	CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N	YIBOMRUWOWDFLG-ONEGZZNKSA-N
DG00270	Alectinib	49806720	"1256580-46-7; CH5424802; CH 5424802; AF-802; Alecensa; UNII-LIJ4CT1Z3Y; AF 802; LIJ4CT1Z3Y; Alectinib (CH5424802); 9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile; CHEMBL1738797; AF802; 9-Ethyl-6,6-Dimethyl-8-[4-(Morpholin-4-Yl)piperidin-1-Yl]-11-Oxo-6,11-Dihydro-5h-Benzo[b]carbazole-3-Carbonitrile; 9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile; AK170451; C30H34N4O2; Alectinib; 9-ethyl-6,6-dimethyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90936	DB11363	.	.	482.6	C30H34N4O2	72.4	867	5.2	36	1	5	3	"1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3"	CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C	KDGFLJKFZUIJMX-UHFFFAOYSA-N
DG00271	Capsaicin	1548943	"Capsaicin (transdermal patch formulation, neuropathic pain)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3374	DB06774	.	DR0268	305.4	C18H27NO3	58.6	341	3.6	22	2	3	9	"1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+"	CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC	YKPUWZUDDOIDPM-SOFGYWHQSA-N
DG00272	Lopinavir	92727	AIDS032937; Aluvia (TN); Aluviran; Kaletra (TN); Koletra; LPV; Lopinavir (JAN/USAN/INN); Lopinavir [USAN:INN:BAN]; RS-346; A 157378; A 157378.0; A-157378-0; A-157378.0; ABT 157378; ABT 378; ABT-378; ABT-378	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31781	DB01601	DR00290	DR0976	628.8	C37H48N4O5	120	940	5.9	46	4	5	15	"1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1"	CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O	KJHKTHWMRKYKJE-SUGCFTRWSA-N
DG00273	Cisplatin	5702198	Abiplatin; Biocisplatinum; Briplatin; Cismaplat; Cisplatine; Cisplatino; Cisplatinum; Cisplatyl; Citoplationo; Lederplatin; Neoplatin; Plastin; Platamine; Platidiam; Platinoxan; Randa; Cis-DDP; Cis-Diamminedichloroplatinum; Peyrone's chloride; Peyrone's salt; Cis-Dichlorodiammineplatinum(II); Cis-[PtCl2(NH3)2]; Cis-diamminedichloridoplatinum(II); Trans-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloridoplatinum; (SP-4-1)-diamminedichloroplatinum; (SP-4-2)-diamminedichloridoplatinum; (SP-4-2)-diamminedichloroplatinum; Cisplatin (Chemotherapy)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00515	.	.	300.05	Cl2H6N2Pt	2	2.8	.	5	2	2	0	1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2	N.N.Cl[Pt]Cl	LXZZYRPGZAFOLE-UHFFFAOYSA-L
DG00274	Midazolam	4192	"Dazolam; Dormicum; Midanium; Midazolamum; Midosed; Versed; Midazolam Base; Dormicum (TN); Hypnovel (TN); Midacum (TN); Midazolamum [INN-Latin]; Ro 21-3981; Versed (TN); Midazolam (JAN/INN); Midazolam [INN:BAN:JAN]; 4H-Imidazo[1,5-a][1,4]benzodiazepine, 8-chloro-6-(2-fluoro-phenyl)-1-methyl-, (Z)-2-butenedioate; 8-Chlor-6-(2-fluorphenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepin; 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine; 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5a][1,4]benzodiazepine hydrochloride; 8-Chloro-6-(O-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]-benzodiazepine; 8-Chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo(1,5-a)(1,4)benzodiazepine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6931	DB00683	DR00684	.	325.8	C18H13ClFN3	30.2	471	2.5	23	0	3	1	"1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3"	CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	DDLIGBOFAVUZHB-UHFFFAOYSA-N
DG00275	Thalidomide	5426	"Algosediv; Asmadion; Asmaval; Bonbrain; Bonbrrin; Calmore; Calmorex; Contergan; Corronarobetin; Distaval; Distaxal; Distoval; Ectiluran; Enterosediv; Gastrinide; Glupan; Glutanon; Grippex; Hippuzon; Imidene; Isomin; Kedavon; Kevadon; Neaufatin; Neosedyn; Neosydyn; Nerosedyn; Neufatin; Neurodyn; Neurosedin; Neurosedym; Neurosedyn; Nevrodyn; Nibrol; Noctosediv; Noxodyn; Pangul; Pantosediv; Polygripan; Profarmil; Psycholiquid; Psychotablets; Quetimid; Quietoplex; Sandormin; Sedalis; Sedimide; Sedin; Sedisperil; Sedoval; Shinnibrol; Sleepan; Slipro; Softenil; Softenon; Synovir; Talargan; Talidomida; Talidomide; Talimol; Talismol; Talizer; Telagan; Telargan; Telargean; Tensival; Thaled; Thalidomidum; Thalin; Thalinette; Thalomid; Thalomide; Theophilcholine; Valgis; Valgraine; Yodomin; Celgene Brand of Thalidomide; Talidomide [DCIT]; Thalidomide Celgene; Thalidomide Pharmion; Asidon 3; ENMD 0995; IN1061; Thalidomine USP26; Alpha-Phthalimidoglutarimide; E-217; Imida-lab; Imidan (peyta); N-Phthalimidoglutamic acid imide; N-Phthaloylglutamimide; N-Phthalylglutamic acid imide; Poly-Giron; Predni-Sediv; Pro-Bam M; Pro-ban M; Sedalis sedi-lab; Shin-naito S; THALIDOMIDE (AIDS INITIATIVE); Talidomida [INN-Spanish]; Thaled (TN); Thalidomide (soluble form); Thalidomidum [INN-Latin]; Thalomid (TM); Thalomid (TN); Thalomid, Thalidomide; Alpha-N-Phthalylglutaramide; Thalidomide [USAN:INN:BAN]; Alpha-(N-Phthalimido)glutarimide; N-Phthalyl-glutaminsaeure-imid; N-Phthalyl-glutaminsaeure-imid [German]; Thalidomide (+ and-); Thalidomide (JAN/USP/INN); N-(2,6-Dioxo-3-piperidyl)phthalimide; (+)-Thalidomide; (+-)-Thalidomide; (+/-)-THALIDOMIDE; (inverted question mark)-Thalidomide; 2,6-Dioxo-3-phthalimidopiperidine; 3-Phthalimidoglutarimide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:74947	DB01041	DR00461	DR1572	258.23	C13H10N2O4	83.6	449	0.3	19	1	4	1	"1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)"	C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O	UEJJHQNACJXSKW-UHFFFAOYSA-N
DG00276	Trospium chloride	5284631	Regurin; Sanctura	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32270	DB00209	DR01284	.	428	C25H30ClNO3	46.5	553	.	30	1	4	5	"1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/t21-,22+,23 ;"	C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]	RVCSYOQWLPPAOA-DHWZJIOFSA-M
DG00277	Abexinostat	11749858	PCI-24781; 783355-60-2; ABEXINOSTAT; PCI 24781; CRA-024781; CRA 024781; UNII-IYO470654U; 3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide; CRA-02478; Abexinostat(PCI-24781); PCI-24781 (Abexinostat); Abexinostat (PCI-24781); IYO470654U; 3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide; 3-((Dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)-phenoxy)ethyl)benzofuran-2-carboxamide	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:92223	DB12565	.	.	397.4	C21H23N3O5	104	550	2.2	29	3	6	8	"1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)"	CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO	MAUCONCHVWBMHK-UHFFFAOYSA-N
DG00278	Itraconazole	55283	"Canadiol; Hyphanox; ITCZ; ITZ; Intraconazole; Itraconazol; Itraconazolum; Itrizole; Oriconazole; Orungal; Prokanazol; Sempera; Spherazole; Sporal; Sporanos; Sporanox; Sporonox; Triasporn; Itraconazol [Spanish]; Itraconazole oral solution; Itraconazolum [Latin]; R 51211; Cis-Itraconazole; Itraconazole & Bovine Lactoferrin; Itraconazole & Nyotran; Itrizole (TN); R-51211; Sporanox (TN); Itraconazole & Nyotran(Liposomal Nystatin); Itraconazole (JAN/USAN); Oriconazole, R51211, Sporanox; Itraconazole [USAN:BAN:INN:JAN]; (+-)-1-sec-Butyl-4-(p-(4-(p-(((2R*,4S*)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)phenyl)-delta(sup 2)-1,2,4-triazolin-5-one; (1)-cis-4-(4-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2,4-dihydro-2-sec-butyl-3H-1,2,4-triazol-3-one; 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-pipera-zinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl); 4-(4-{4-[4-({[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}oxy)phenyl]piperazin-1-yl}phenyl)-2-(1-methylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6076	DB01167	.	.	705.6	C35H38Cl2N8O4	101	1120	5.7	49	0	9	11	"1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25 ,31-,35-/m0/s1"	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	VHVPQPYKVGDNFY-ZPGVKDDISA-N
DG00279	Indinavir	5362440	"Crixivan; IDV; Indinavir [USAN]; L 735524; Crixivan (TM); Crixivan (TN); L-735 524; L-735524; MK-639; Propolis+Indinavir; RS-253; L-735,524; Indinavir, Sulfate (1:1); Indinavir (*1:1 Sulfate salt*); N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE; Propolis & 4-Hydroxy-N-(2-hydroxy-2,3-dihydro-1H-1-indanyl)-N'-(1,1-dimethylethyl)-2-phenylmethyl-5-[4-(3-pyridylmethyl)-1-piperzinyl]hexanediamide; (1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide; (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44032	DB00224	DR00299	.	613.8	C36H47N5O4	118	952	2.8	45	4	7	12	"1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1"	CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5	CBVCZFGXHXORBI-PXQQMZJSSA-N
DG00280	Dactolisib	11977753	"BEZ-235; S14-0511; NVP-BEZ-235; NVP-BEZ235, BEZ235; 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:71952	DB11651	.	.	469.5	C30H23N5O	73.1	872	5.2	36	0	4	3	"1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3"	CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5	JOGKUKXHTYWRGZ-UHFFFAOYSA-N
DG00281	Beta-lapachone	3885	"ARQ 501; SL 11001; A-lapachone; LAPACHONE, BETA; AK-693/21096016; 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione; 3,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione; 3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-B]pyran-5,6-dione"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:10429	DB11948	.	DR1869	242.27	C15H14O3	43.4	445	2.2	18	0	3	0	"1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3"	CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C	QZPQTZZNNJUOLS-UHFFFAOYSA-N
DG00282	Sorafenib	216239	Nexavar; Sorafenibum; Sorafenib [INN]; Nexavar (TN); Sorafenib (INN); N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea; N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea; N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea; 4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide; 4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide; 4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic acid methyamide-4-methylbenzenesulfonate; 4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide; 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide; 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE; Sorafenib (Pan-TK inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50924	DB00398	DR00304	DR1500	464.8	C21H16ClF3N4O3	92.4	646	4.1	32	3	7	5	"1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)"	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	MLDQJTXFUGDVEO-UHFFFAOYSA-N
DG00283	Cefpodoxime	6335986	"CPDX; Cefpodoxima; Cefpodoximum; Epoxim; Cefpodoxim acid; Cefpodoxima [Spanish]; Cefpodoximum [Latin]; RU 51807; Cefpodoxime (INN); Cefpodoxime [INN:BAN]; Epoxim (TN); Vantin (TN); (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-[(methyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3504	DB01416	DR00974	DR2661	427.5	C15H17N5O6S2	210	744	-1.4	28	3	11	7	"1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1"	COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\OC)/C3=CSC(=N3)N)SC1)C(=O)O	WYUSVOMTXWRGEK-HBWVYFAYSA-N
DG00284	Alpelisib	56649450	"Alpelisib; 1217486-61-7; BYL-719; BYL719; UNII-08W5N2C97Q; BYL 719; Alpelisib (BYL719); (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide; NVP-BYL719; (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide; CHEMBL2396661; 08W5N2C97Q; AK146107; C19H22F3N5O2S; (S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:93752	DB12015	.	DR0074	441.5	C19H22F3N5O2S	129	663	3.2	30	2	8	4	"1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1"	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F	STUWGJZDJHPWGZ-LBPRGKRZSA-N
DG00285	Berberine	2353	"Berberine; 2086-83-1; Berberin; Umbellatine; UNII-0I8Y3P32UF; 0I8Y3P32UF; CHEBI:16118; EINECS 218-229-1; Berberal; BRN 3570374; ST055798; 9,10-Dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetrahydroberbinium; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-; 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium; Berbamine sulphate acid; CHEMBL12089; 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)berbinium; BERBINIUM, 7,8,13,13a-TETRAHYDRO-9,10-DIMETHOXY-2,3-(METHYLE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16118	DB04115	DR00307	.	336.4	C20H18NO4+	40.8	488	3.6	25	0	4	2	"1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC	YBHILYKTIRIUTE-UHFFFAOYSA-N
DG00286	Vinblastine	13342	"Nincaluicolflastine; Rozevin; VLB; Vinblastin; Vinblastina; Vinblastinum; Vincaleucoblastin; Vincaleucoblastine; Vincaleukoblastine; Vincoblastine; Vinblastina [DCIT]; VR-8; Vinblastina (TN); Vinblastine (INN); Vinblastine [INN:BAN]; Vinblastinum [INN-Latin]; NDC 0002-1452-01; (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE; (2xi,3beta,4'beta,19xi)-vincaleukoblastine; 1H-Indolizino(8,1-cd)carbazole-5-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00570	DR00308	.	811	C46H58N4O9	154	1700	3.7	59	3	12	10	"1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1"	CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	JXLYSJRDGCGARV-CFWMRBGOSA-N
DG00287	Saquinavir	441243	"Fortovase; Invirase; ROC; SQV; Saguinavir; Ro 318959; Fortovase (TN); Fortovase(TM); Invirase (TN); Ro 31-8959; Invirase(TM)(monomesylate); Ro-31-8959; Saquinavir (JAN/USP/INN); QNC-ASN-HPH-DIQ-NTB; CIS-N-TERT-BUTYL-DECAHYDRO-2-[2(R)-HYDROXY-4-PHENYL-3(S)-[[N-2-QUINOLYLCARBONYL-L-ASPARAGINYL]AMINO]BUTYL]-(4AS)-ISOQUINOLINE-3(S)-CARBOXAMIDE; (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; (2s)-N-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(Tert-Butylcarbamoyl)-3,4,4a,5,6,7,8,8a-Octahydro-1h-Isoquinolin-2-Yl]-3-Hydroxy-1-Phenyl-Butan-2-Yl]-2-(Quinolin-2-Ylcarbonylamino)butanediamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63621	DB01232	DR00309	.	670.8	C38H50N6O5	167	1140	4.2	49	5	7	13	"1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1"	CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O	QWAXKHKRTORLEM-UGJKXSETSA-N
DG00288	Cefdinir	6915944	"CFDN; Cefdinirum; Cefdinyl; Cefdirnir; Cefzon; Omnicef; BMY 28488; FK 482; PD 134393; Cefdinir [USAN:INN]; Cefdinirum [INN-Latin]; Cefzon (TN); FK-482; FR-80482; KS-1038; Omnicef (TN); PD-134393; Cefdinir (JP15/USAN/INN); Omnicef, FK-482, BMY-28488, PD 134393, CI-983, Cefdinir; (-)-(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-oxime; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(2 (2-aminothiazol-4-yl)-2-hydroxyiminoacetamido)-3-vinyl-3-cephem-4-carboxylic acid; 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetamido]-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3485	DB00535	DR00692	.	395.4	C14H13N5O5S2	212	739	0	26	4	10	5	"1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1"	C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\\O)/C3=CSC(=N3)N)SC1)C(=O)O	RTXOFQZKPXMALH-GHXIOONMSA-N
DG00289	I-BET151	52912189	GSK1210151A	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:95083	.	.	.	415.4	C23H21N5O3	93.4	665	2.7	31	1	6	4	"1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1"	CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC	VUVUVNZRUGEAHB-CYBMUJFWSA-N
DG00290	Josamycin	5282165	"Josacine; Josamicina; Josamycine; Josamycinum; EN 141; Kitasamycin A3; Leucomycin A3; Turimycin A5; Antibiotic yl-704 A3; Iosalide (TN); Josacine (TN); Josalid (TN); Josamicina [INN-Spanish]; Josamina (TN); Josamy (TN); Josamycin (TN); Josamycine [INN-French]; Josamycinum [INN-Latin]; Wilprafen (TN); Yl-704 A3; Josamycin [USAN:INN:JAN]; Josamycin (JP15/USAN/INN); Dro-2H-pyran-3-yl 3-methylbutanoate; Leucomycin V, 3-acetate 4B-(3-methylbutanoate); Leucomycin V, 3-acetate 4(sup B)-(3-methylbutanoate); Leucomycin V,3-acetate 4(sup beta)-(3-methylbutanoate)"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:31739	DB01321	.	.	828	C42H69NO15	206	1390	2.9	58	3	16	14	"1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O	XJSFLOJWULLJQS-NGVXBBESSA-N
DG00291	Coumermycin	54675768	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:3907	DB13912	.	.	1110.1	C55H59N5O20	347	2440	4.6	80	9	20	16	"1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1"	CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O	WTIJXIZOODAMJT-DHFGXMAYSA-N
DG00292	Sulforaphane	5350	"Sulforafan; DL-Sulforaphane; 1-Isothiocyanato-4-(methylsulfinyl)butane; D,L-Sulforaphane; L-Sulforaphane; Sulforaphane (unspecified); R,S-Sulforaphane; C6H11NOS2; 1-isothiocyanato-4-methylsulfinylbutane; Sulforaphane Racemate; CCRIS 7221; 1-Isothiocyanato-4-(methylsulfinyl)-butane; Butane, 1-isothiocyanato-4-(methylsulfinyl)-; SUVMJBTUFCVSAD-UHFFFAOYSA-N; 4-(Methylsulfinyl)Butyl Isothiocyanate"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:47807	DB12422	.	.	177.3	C6H11NOS2	80.7	152	1.4	10	0	4	5	"1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3"	CS(=O)CCCCN=C=S	SUVMJBTUFCVSAD-UHFFFAOYSA-N
DG00293	Chloramphenicol	5959	"Alficetyn; Ambofen; Amphenicol; Amphicol; Amseclor; Anacetin; Aquamycetin; Austracil; Austracol; Biocetin; Biophenicol; CAF; CLM; Catilan; Chemiceticol; Chemicetin; Chemicetina; Chlomin; Chlomycol; Chloramex; Chloramfenikol; Chloramficin; Chloramfilin; Chloramphenicolum; Chloramsaar; Chlorasol; Chloricol; Chlornitromycin; Chloroamphenicol; Chlorocaps; Chlorocid; Chlorocide; Chlorocol; Chlorofair; Chloromax; Chloromycetin; Chloromycetny; Chloromyxin; Chloronitrin; Chloroptic; Chlorovules; Chlorsig; Cidocetine; Ciplamycetin; Cloramfen; Cloramfenicol; Cloramfenicolo; Cloramficin; Cloramical; Cloramicol; Cloramidina; Cloranfenicol; Cloroamfenicolo; Clorocyn; Cloromisan; Cloromissan; Clorosintex; Comycetin; Cylphenicol; Desphen; Detreomycin; Detreomycine; Dextromycetin; Doctamicina; Duphenicol; Econochlor; Embacetin; Emetren; Enicol; Enteromycetin; Erbaplast; Ertilen; Farmicetina; Fenicol; Globenicol; Glorous; Halomycetin; Hortfenicol; Interomycetine; Intramycetin; Intramyctin; Isicetin; Ismicetina; Isophenicol; Juvamycetin; Kamaver; Kemicetina; Kemicetine; Kloramfenikol; Klorita; Laevomycetinum; Leukamycin; Leukomyan; Leukomycin; Levomicetina; Levomitsetin; Levomycetin; Loromicetina; Loromisan; Loromisin; Mastiphen; Mediamycetine; Medichol; Micloretin; Micochlorine; Micoclorina; Microcetina; Mychel; Mycinol; Myscel; Novochlorocap; Novomycetin; Novophenicol; Oftalent; Oleomycetin; Opclor; Opelor; Ophthochlor; Ophtochlor; Optomycin; Otachron; Otophen; Pantovernil; Paraxin; Pentamycetin; Quemicetina; Rivomycin; Romphenil; Ronfenil; Ronphenil; Septicol; Sificetina; Sintomicetina; Stanomycetin; Synthomycetin; Synthomycetine; Synthomycine; Syntomycin; Tevcocin; Tevcosin; Tifomycin; Tifomycine;Tiromycetin; Treomicetina; Unimycetin; Veticol; Viceton; Ch loramex; Chloramfenikol [Czech]; Chloramphenicol crystalline; Chlormycetin R; Chlorocid S; Chlorocidin C; Chlorocidin C tetran; Chloroject L; Chloromycetny [Polish]; Cloramfenicolo [DCIT]; Cloroamfenicolo [Italian]; F armicetina; Isopto fenicol; Klorocid S; Normimycin V; Sintomicetine R; Sno Phenicol; Vice ton; I 337A; Ak-chlor; Alficetyn (TN); Amphicol (TN); Biomicin (TN); Brochlor (TN); CAF (pharmaceutical); Cedoctine (TN); Chlora-tabs; Chloramex (TN); Chloramphenicol & VRC3375; Chloramphenicolum [INN-Latin]; Chlorbiotic (Veterinary); Chlornitromycin (TN); Chloro-25 vetag; Chloromycetin (TN); Chlorsig (TN); Cloramfenicol [INN-Spanish]; D-Chloramphenicol; Dispersadron C (TN); Econochlor (TN); Elase-Chloromycetin; Fenicol (TN); Golden Eye (TN); Isoptophenicol (TN); Kemicetine (TN); Laevomycetin (TN); Medicom (TN); Mychel-Vet; Nevimycin (TN); Oftan Chlora (TN); Optrex Infected Eyes (TN); Orchadexoline (TN); Phenicol (TN); Renicol (TN); Silmycetin (TN); Sno-Phenicol; Synthomycine (TN); Tea-Cetin; Tega-Cetin; Tifomycine (TN); U-6062; Vernacetin (TN); Veticol (TN); C.A.F; CHLOROPTIC S.O.P; Chloramphenicol [INN:BAN:JAN]; Chloromycetin® D-threo-Chloramphenicol; Alficetyn, Chlornitromycin, Chloromycetin, Chloramphenicol; Chloramphenicol (JP15/USP/INN); Chloroptic S.O.P.; D(-)-threo-Chloramphenicol; D-(-)-Chloramphenicol; D-(-)-threo-Chloramphenicol; D(-)-threo-2-dichloroacetamido-1-p-nitrophen yl-propanediol; D(-)-threo-2-dichloroacetamido-1-p-nitrophenyl-propanediol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17698	DB00446	DR00989	DR0298	323.13	C11H12Cl2N2O5	115	342	1.1	20	3	5	5	"1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1"	C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	WIIZWVCIJKGZOK-RKDXNWHRSA-N
DG00294	Carboplatin	426756	"Azanide; Carbopaltin; Carboplatine; Carboplatino; Carboplatinum; Cbdca; Ercar; Paraplatin; Carboplatine [French]; Carboplatino [Spanish]; Carboplatinum [Latin]; C 2538; JM 8; Carboplatin (USAN); IUPAC: Azane; JM-8; Paraplatin (TN); Paraplatin, Carboplatin; Paraplatin-AQ; Cis-Diammine(cyclobutanedicarboxylato)platinumII; Platinum(+2) Cation; Carboplatin (JAN/USP/INN); Carboplatin [USAN:INN:BAN:JAN]; Cyclobutane-1,1-dicarboxylate; Cyclobutane-1,1-dicarboxylic acid; Diammine-1,1-cyclobutane dicarboxylate platinum II; Cis-Diamine[1,1-cyclobutanedicarboxylato]platinum(II); Cis-Diammine(1,1-cyclobutanedicarboxylato) platinum; Cis-Diammine(1,1-cyclobutanedicarboxylato)platinum; Cis-Diammine[1,1-cyclobutane-dicarboxylato] platinum; Diammine(1,1-cyclobutanedicarboxylato)platinum (II); Platinum, {diammine[1,1-cyclobut; Cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II); Cis-Diamine(1,1-cyclobutanedicarboxylato)platinum(II); Cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II); Platinum(II), (1, 1-cyclobutanedicar; Diammine[cyclobutane-1,1-dicarboxylato(2-)-k2O1,O1]platinum; Diammine(cyclobutane-1,1-dicarboxylato(2-)-O,O')platinum; Platinum, diammine(1,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2); (SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum; 1,1-Cyclobutanedicarboxylate diammine platinum (II); 1,1-Cyclobutanedicarboxylate diammine platinum(II)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31355	DB00958	.	.	371.25	C6H12N2O4Pt	76.6	177	.	13	4	6	0	"1S/C6H8O4.2H2N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H2;/q;2*-1;+2"	C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]	VSRXQHXAPYXROS-UHFFFAOYSA-N
DG00295	Benzoic acid	243	"Phenylformate; benzoate anion; Benzoic acid, ion(1-); 766-76-7; Benzeneformate; Tennplas; Phenylcarboxylate; Benzenemethanoate; Retarded BA; Benzenecarboxylate; Phenyl carboxylic acid; benzoic acid anion; Oracyclic acid; 4-Carboxybenzenide; Benzene formic acid; AC1Q1HDY; AC1Q22CA; AC1L18SS; GTPL4565; DTXSID4043771; CHEBI:16150; BDBM36181; CTK2H9612; WPYMKLBDIGXBTP-UHFFFAOYSA-M; STL483236; ZINC328578076; NCGC00247905-01; ZB000218; CJ-00025; LS-190261; 3230-EP2374454A1; 3230-EP2372017A1; 3230-EP2316825A1; 3230-EP2316457A1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:30746	DB03793	.	.	122.12	C7H6O2	37.3	104	1.9	9	1	2	1	"1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)"	C1=CC=C(C=C1)C(=O)O	WPYMKLBDIGXBTP-UHFFFAOYSA-N
DG00296	Cefadroxil	47965	"CDX; Cefadroxilo; Cefadroxilum; Cephadroxil; Sumacef; Cefadroxil anhydrous; S 578; BL-S 578; BL-S578; Cefadroxil (JP15); Cefadroxilo [INN-Spanish]; Cefadroxilum [INN-Latin]; Curisafe (TN); D-Cefadroxil; S-578; Sumacef (TN); MJF-11567-3; (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3479	DB01140	DR00313	DR2413	363.4	C16H17N3O5S	158	629	-2.1	25	4	7	4	"1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O	BOEGTKLJZSQCCD-UEKVPHQBSA-N
DG00297	Mitomycin	5746	"Mitomycin C; mitomycin C; 1950/7/7; Mutamycin; Ametycine; Mitocin-C; Ametycin; Mitomycin-C; Mytozytrex; Mitomycinum; Mytomycin; Mitozytrex; Mitomycinum C; Mitocin C; Mitomycins; Mitamycin; MMC; Mitosol; Mitomycyna C; 7-Amino-9alpha-methoxymitosane; NSC-26980; Mitomycyna C [Polish]; Mito-C; Mit-C; Mitomycin (TN); Mitomycinum [INN-Latin]; Mitomycine [INN-French]; Mitomicina [INN-Spanish]; NCI-C04706; RCRA waste number U010; NSC26980; NSC 26980; Mitomycine; CCRIS 414; UNII-50SG953SK6; HSDB 3239; C15H18N4O5; EINECS 200-008-6; Mitomycin C,; Ametycin; Mitomicina; Muamycin; Mitomycin C from Streptomyces caespitosus; Mitomycin C (JP15); Mitomycin C, Streptomyces caespitosus; Muamycin (TN); Mitomycin (USP/INN); Mitomycin [USAN:INN:BAN]; Mitomycin C, Streptomyces caespitosus, Carrier-Free"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27504	DB00305	DR01212	.	334.33	C15H18N4O5	147	757	-0.4	24	3	8	4	"1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1"	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N	NWIBSHFKIJFRCO-WUDYKRTCSA-N
DG00299	Cefuroxime	5479529	"Anaptivan; Biociclin; Biofuroksym; Bioxima; CXM; Cefofix; Cefumax; Cefurex; Cefuril; Cefuroxim; Cefuroximesodium; Cefuroximine; Cefuroximo; Cefuroximum; Cephuroxime; Cetroxil; Colifossim; Curocef; Curoxim; Curoxima; Curoxime; Froxal; Furoxil; Kesint; Ketocef; Lifurox; Medoxim; Sharox; Spectrazolr; Ultroxim; Zinacef;CEFUROXIME AND DEXTROSE IN DUPLEX CONTAINER; CEFUROXIME SODIUM; Cefuroxim AJ; Cefuroxim Fresenius; Cefuroxim Genericsn; Cefuroxim Hexal; Cefuroxim Lilly; Cefuroxim MN; Cefuroxim Norcox; Cefuroxim curasan; Cefuroxima Fabra; Cefuroxima Richet; Cefuroxime for Injection and Dextrose for Injection in Duplex Container; Cefuroxime na; Cefuroxime sodium salt; KEFUROX IN PLASTIC CONTAINER; Sodium cefuroxime; ZINACEF IN PLASTIC CONTAINER; Zinacef Danmark; Ceftin (TN); Cefuroxim Norcox [inj.]; Cefuroxime (TN); Cefuroximo [INN-Spanish]; Cefuroximum [INN-Latin]; Cetroxil [inj.]; Froxal [inj.]; KS-1040; Sharox [inj.]; Zinacef (TN); Zinnat (TN); Zinnat [inj.]; Cefuroxime (USAN/INN); Cefuroxime [USAN:INN:BAN]; Cefuroxime sodium (JP15/USP); Cefuroxime sodium [USAN:BAN:JAN]; Sodium (6R-(6alpha,7beta(Z)))-3-(((aminocarbonyl)oxy)methyl)-7-(2-furyl(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate; Sodium (6R,7R)-7-(2-(2-furyl)glyoxylamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 7(sup 2)-(Z)-(O-methyloxime), carbamate (ester); (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-(2-(2-Furyl)glyoxylamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime) carbamate (ester); 3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3515	DB01112	.	.	424.4	C16H16N4O8S	199	798	-0.2	29	3	10	8	"1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1"	CO/N=C(/C1=CC=CO1)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	JFPVXVDWJQMJEE-IZRZKJBUSA-N
DG00300	Oxaliplatin	9887053	Eloxatin (TN); Medac (TN); Oxaliplatin (TN); Oxaliplatin (JAN/USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00526	.	.	397.29	C8H14N2O4Pt	76.6	191	.	15	4	6	0	"1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1"	C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)O)O.[Pt+2]	DRMCATBEKSVAPL-BNTLRKBRSA-N
DG00301	Amikacin	37768	"Amicacin; Amikacina; Amikacine; Amikacinum; Amikavet; Amikin; Arikace; Briclin; Kaminax; Lukadin; Mikavir; AMIKACIN SULFATE; Amikacin Base; Amikacin Dihydrate; ANTIBIOTIC BB-K8; Amiglyde-V; Amikacin & Tumor Necrosis Factor; Amikacin (USP); Amikacina [INN-Spanish]; Amikacine [INN-French]; Amikacinum [INN-Latin]; Amikin(Disulfate); Antibiotic BB-K 8; BB-K 8; BB-K8; Amiglyde-V (TN); Amikacin (USP/INN); Amikacin [USAN:BAN:INN]; O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-6))-N(sup 3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine; O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine; O-3-Amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine; (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide; (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide; (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide; 1-N-(L(-)-gamma-Amino-alpha-hydroxybutyryl)kanamycin A"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2637	DB00479	.	DR2167	585.6	C22H43N5O13	332	819	-7.9	40	13	17	10	"1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	LKCWBDHBTVXHDL-RMDFUYIESA-N
DG00302	Ge2270a	16129640	GE 2770; GE-2270; 134861-34-0; SCHEMBL12519961; CHEBI:29584; LS-187584; LS-186934	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:29584	DB02975	.	.	1290.5	C56H55N15O10S6	520	2530	3.3	87	7	24	11	"1S/C56H55N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,20-24,29-30,35,39,43-44,74H,9,12,15-19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)"	CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C1=CC=CC=C1)O)C(C)C	JMDULECOHIXMNX-UHFFFAOYSA-N
DG00303	Roxithromycin	6915744	"Assoral; Overall; RXM; Rossitrol; Roxithromycine; Roxithromycinum; Roxitromicina; Rulid; Rulide; Surlid; Roxithromycine [French]; Roxithromycinum [Latin]; Roxitromicina [Spanish]; RC2952; RU 28965; RU 965; Biaxsig (TN); Coroxin (TN); RU-28965; RU-965; Roxar (TN); Roximycin (TN); Roxithromycin & Tumor Necrosis Factor; Roxo (TN); Rulide (TN); Surlid (TN); Tirabicin (TN); Roxithromycin [USAN:INN:JAN]; Roxl-150 (TN); Roxithromycin (JP15/USAN/INN); Erythromycin 9-(-O-[2-methoxyethoxy]methyloxime);Erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime); Erythromycin, 9-(O-((2-methoxyethoxy)methyl)oxime); 9-(O-((2-Methoxyethoxy)methyl)oxime)erythromycin; 9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48935	DB00778	DR00708	DR1448	837	C41H76N2O15	217	1310	3.1	58	5	17	13	"1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	RXZBMPWDPOLZGW-XMRMVWPWSA-N
DG00304	Pemetrexed	135410875	"Alimta; LYA; LY 231514; LY231514; Alimta (TN); LY 231,514; LY-2315; LY-231514; Pemetrexed (INN); Pemetrexed [INN:BAN]; LY-231,514; N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid; N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-d-glutamic acid; (2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid; 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63616	DB00642	DR00318	.	427.4	C20H21N5O6	187	748	0.2	31	6	7	9	"1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1"	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
DG00305	Dacarbazine	135398738	"Biocarbazin; Biocarbazine; DTIC; DTICDome; DTIE; Dacarbazino; Dacarbazinum; Dacatic; Decarbazine; Deticene; Dimethyltriazenoimidazolecarboxamide; ICDMT; ICDT; Biocarbazine R; DTIC Dome; Dimethyl Imidazole Carboxamide; Dimethyl Triazeno Imidazole Carboxamide; Imidazole carboxamide; HE1150000; Carboxamide (TN); Carboxamide, Dimethyl Imidazole; DIC (TN); DTIC (TN); DTIC-Dome; Dacarbazino [INN-Spanish]; Dacarbazinum [INN-Latin]; Imidazole (TN); Imidazole Carboxamide, Dimethyl; NPFAPI-05; DTIC-Dome (TN); Di-me-triazenoimidazolecarboxamide; Di-methyl-triazenoimidazolecarboxamide; Dtic-Dome (TN); DTIC, DTIC-Dome, Dacarbazine; Dacarbazine (JAN/USP/INN); Dacarbazine [USAN:INN:BAN:JAN]; (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; (Dimethyltriazeno)imidazolecarboxamide; 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide; 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide; 4-(3,3-Dimethyl-1-triazeno)imidazole-5-carboxamide; 4-(3,3-Dimethyltriazeno)imidazole-5-carboxamide; 4-(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide; 4-(Dimethyltriazeno)imidazole-5-c arboxamide; 4-(Dimethyltriazeno)imidazole-5-carboxamide; 4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide; 4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide; 4-[3,3-dimethyltriaz-1-en-1-yl]-1H-imidazole-5-carboxamide; 5(or 4)-(dimethyltriazeno)imidazol e-4(or 5)-carboxamide; 5(or 4)-(dimethyltriazeno)imidazole-4(or 5)-carboxamide; 5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide; 5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide; 5-(3,3-Dimethyl-1-triazenyl)imidazole-4-carboxamide; 5-(3,3-Dimethyltri azeno)imidazole-4-carboxamide; 5-(3,3-Dimethyltriazeno)-imidazole-4-carbamide; 5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide; 5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide; 5-(Dimethyltriazeno)-4-imidazolecarboxamide; 5-(Dimethyltriazeno)imidazole-4-carboxamide; 5-(Dimethyltriazeno)imidazole-4-carboximide; 5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide; 5-[3,3-Dimethyl-1-triazenyl]imidazole-4-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94587	DB00851	.	DR0404	182.18	C6H10N6O	99.7	215	-0.6	13	2	5	3	"1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+"	CN(C)/N=N/C1=C(NC=N1)C(=O)N	FDKXTQMXEQVLRF-ZHACJKMWSA-N
DG00306	Vemurafenib	42611257	PLX4032; RG7204; RO5185426; Zelboraf (TN); Vemurafenib (BRAF inhibitor)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63637	DB08881	DR00711	DR1677	489.9	C23H18ClF2N3O3S	100	790	5	33	2	7	7	"1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)"	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F	GPXBXXGIAQBQNI-UHFFFAOYSA-N
DG00308	Ampicillin	6249	"ABPC; Acillin; Adobacillin; Alpen; Amblosin; Amcill; Amfipen; Aminobenzylpenicillin; Ampen; Ampichel; Ampicil; Ampicilina; Ampicillanyl; Ampicillina; Ampicilline; Ampicillinum; Ampicin; Ampifarm; Ampikel; Ampimed; Ampipenin; Ampiscel; Ampisyn; Ampivax; Ampivet; Amplacilina; Amplin; Amplipenyl; Amplisom; Amplital; Austrapen; Binotal; Bonapicillin; Britacil; Campicillin; Cimex; Copharcilin; Delcillin; Deripen; Divercillin; Doktacillin; Duphacillin; Grampenil; Guicitrina; Guicitrine; Lifeampil; Morepen; Norobrittin; Nuvapen; Omnipen; Orbicilina; Penbristol; Penbritin; Penbrock; Penicline; Penimic; Pensyn; Pentrex; Pentrexl; Pentrexyl; Polycillin; Ponecil; Princillin; Principen; QIDamp; Racenacillin; Rosampline;Roscillin; Semicillin; Servicillin; Sumipanto; Supen; Synpenin; Texcillin; Tokiocillin; Tolomol; Totacillin; Totalciclina; Totapen; Trifacilina; Ukapen; Ultrabion; Ultrabron; Vampen; Viccillin; Wypicil; Amfipen V; Amipenix S; Ampicillin A; Ampicillin Anhydrous; Ampicillin Base; Ampicillin acid; Ampicillin anhydrate; Ampicillina [DCIT]; Anhydrous ampicillin; Olin Kid; Pen A; Pen A Oral; Pen Ampil;Penbritin paediatric; Penbritin syrup; Pfizerpen A; Semicillin R; Viccillin S; AY 6108; BA 7305; BRL 1341; Bayer 5427; HI 63; P 50; Principen 125; Principen 250; Principen 500; SQ 17382; AB-PC; AB-PCSol; AY-6108; Ambidrin (TN); Ampi-Co; Ampi-Tab; Ampi-bol; Ampicilina [INN-Spanish]; Ampicilline [INN-French]; Ampicillinum [INN-Latin]; Ampipenin, nt3; Ampy-Penyl; Anhydrous ampicillin (JP15); BRL-1341; D-Ampicillin; D-Cillin; KS-R1; Novo-ampicillin; OMNIPEN (AMPICILLIN); Omnipen (TN); Omnipen-N; P-50; Penbritin-S; Penicillin, Aminobenzyl; Pfizerpen-A; Polycillin-N; Polyflex (Veterinary); Ro-Ampen; SK-Ampicillin; Totacillin (sodium); Totacillin-N; WY-5103; Ampicillin (USP/INN); AMPICILLIN (SEE ALSO AMPICILLIN TRIHYDRATE 7177-48-2); Ampicillin [USAN:BAN:INN:JAN]; Ampicillin [USAN:INN:BAN:JAN];D-(-)-Ampicillin; D-(-)-alpha-Aminobenzylpenicillin; D-(-)-alpha-Aminopenicillin; D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid; 6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid; 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl; 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28971	DB00415	DR00712	DR2177	349.4	C16H19N3O4S	138	562	-1.1	24	3	6	4	"1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C	AVKUERGKIZMTKX-NJBDSQKTSA-N
DG00309	Canertinib	156414	"Canertinib; Canertinib HCl; Canertinib dihydrochloride; Canertinib dihydrochloride [USAN]; CI1033; PD 183805; Canertinib dihydrochloride (USAN); PD-0183805; PD-183805; Canertinib, PD-183805, CI1033, PD183805; N-[4-(3-Chloro-4-fluorophenylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]acrylamide dihydrochloride; N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenamide dihydrochloride; N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide; N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide dihydrochloride; N-(4-(3-chloro-4-fluorophenyl)amino)-7-(3-morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide dihydrochloride; N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide; N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamide; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl) amino)-7-(3-(4-morpholinyl) propoxy)-6-quinazolinyl)-, dihydrochloride; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-(4-morpholinyl)propoxy)-6-quinazolinyl)-, dihydrochloride"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:61399	DB05424	.	.	485.9	C24H25ClFN5O3	88.6	671	3.9	34	2	8	9	"1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)"	C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	OMZCMEYTWSXEPZ-UHFFFAOYSA-N
DG00310	Kanamycin	6032	"Aspidium; KAN; Kanamicina; Kanamycine; Kanamycinum; Kantrex; Klebcil; KANAMYCIN A; Kanamicina [Italian]; Kanamycin A tetracation; Kanamycin Base; Kanamycin monosulfate; Kanamycin sulfate; Kenamycin A; Liposomal Kanamycin; KM (the Antibiotic); Kanamycin [INN:BAN]; Kanamycin monosulfate (JP15); Kanamycinsulfate (JP15); Kanamycin sulfate (TN); Kanamycin sulfate (USP); Kanamycine [INN-French]; Kanamycinum [INN-Latin]; Kantrex (TN); Kantrex (1:1 sulfate); Klebcil (1:1 sulfate); O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine; O-3-Amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-2-deoxy-D-streptamine; (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside; (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside; (1S,2R,3R,4S,6R)-4,6-diazaniumyl-3-(6-azaniumyl-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-azaniumyl-3-deoxy-alpha-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; 4,6-Diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside; 4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17630	DB01172	.	DR2175	484.5	C18H36N4O11	283	638	-6.9	33	11	15	6	"1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1"	C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	SBUJHOSQTJFQJX-NOAMYHISSA-N
DG00311	Cefprozil	5281006	"Arzimol; Brisoral; Cefprozilo; Cefprozilum; Cefzil; Cronocef; Procef; Serozil; Cefprozil anhydrous; BMY 28100; Cefprozil (INN); Cefprozil (TN); Cefprozilo [INN-Spanish]; Cefprozilum [INN-Latin]; Cefzil (TN); Procef (TN); (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3506	DB01150	.	.	389.4	C18H19N3O5S	158	699	-1.4	27	4	7	5	"1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1"	C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O	WDLWHQDACQUCJR-ZAMMOSSLSA-N
DG00312	Clozapine	135398737	"Asaleptin; CLOZARIL; Clorazil; Clozapin; Clozapina; Clozapinum; Fazaclo; Iprox; Leponex; Lepotex; Fazaclo ODT; C 6305; HF1854; Clopine (TN); Clozapina [INN-Spanish]; Clozapine(tautomer); Clozapinum [INN-Latin]; Clozaril (TN); Denzapine (TN); Fazaclo (TN); Froidir (TN); HF-1854; KS-1166; Klozapol (TN); LEX-123; LX 100-129; Leponex (TN); W-801; Zaponex (TN); Clozapine [USAN:INN:BAN]; Clozapine (JAN/USP/INN); 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine; 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine; 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine; 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine; 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3766	DB00363	DR00474	DR0363	326.8	C18H19ClN4	30.9	446	3.1	23	1	3	1	"1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3"	CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42	QZUDBNBUXVUHMW-UHFFFAOYSA-N
DG00313	Clarithromycin	84029	"Abbotic; Adel; Astromen; Biaxin; Bicrolid; CTY; Clacine; Clambiotic; Claribid; Claricide; Clarith; Clarithromycina; Clarithromycine; Clarithromycinum; Claritromicina; Clathromycin; Cyllid; Cyllind; Helas; Heliclar; Klacid; Klaciped; Klaricid; Klarid; Klarin; Klax; Kofron; Mabicrol; Macladin; Maclar; Mavid; Naxy;Veclam; Zeclar; Biaxin HP; Biaxin XL; Biaxin filmtab; Biaxin xl filmtab; Clarithromycin extended release; Clarithromycin suspension or tablets; Klaricid Pediatric; Klaricid XL; TE031; A-56268; ANX-015; Abbott-56268; Biaxin (TN); Clacid (TN); Claridar (TN); Claripen (TN); Clarithromycine [INN-French]; Clarithromycinum [INN-Latin]; Claritromicina [INN-Spanish]; Crixan (TN); DRG-0099; Fromilid (TN);Infex (TN); Klabax (TN); Klaricid (TN); Klaricid H.P; Lactoferrin B & Clarithromycin; Lactoferrin H & Clarithromycin; SDP-015; TE-031; Vikrol (TN); CLM & IL-12; CRL-1605 & Clarithromycin; Clarithromycin & Interleukin-12; Klaricid H.P.; O(6)-methylerythromycin; Clarithromycin (JP15/USP/INN); Clarithromycin [USAN:INN:BAN:JAN]; Hydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexame; (14R)-14-Hydroxyclarithromycin; 6-O-Methylerythromycin; 6-O-Methylerythromycin a"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3732	DB01211	DR00713	DR0336	748	C38H69NO13	183	1190	3.2	52	4	14	8	"1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1"	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	AGOYDEPGAOXOCK-KCBOHYOISA-N
DG00314	Mitotane	4211	"Chloditan; Chlodithan; Chlodithane; Khloditan; Khlodithan; Lysodren; Mitotan; Mitotano; Mitotanum; Mytotan; Bristol Myers Squibb Brand of Mitotane; C 3010; CB 313; CB313; PS694_SUPELCO; Bristol-Myers Squibb Brand of Mitotane; CB-313; Lysodren (TN); Mitotano [INN-Spanish]; Mitotanum [INN-Latin]; Ortho,para DDD; Mitotane [USAN:INN:JAN]; O,p-DDD; O,p-Tde; Ortho,para-DDD; Mitotane (JAN/USP/INN); O,p'-DDD; O,p'-Dichlorodiphenyldichloroethane; O,p'-TDE; Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-(8CI); (+-)-1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; (2,4'-Dichlorodiphenyl)dichloroethane; (o,p)-DDD; 1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane; 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane; 1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane; 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane; 1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene; 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene; 2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane; 2,4'-Ddd; 2,4'-Dichlorodiphenyldichloroethane; 2,4'-Dichlorophenyldichlorethane; 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane; 2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6954	DB00648	.	.	320	C14H10Cl4	0	248	6.2	18	0	0	3	"1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H"	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl	JWBOIMRXGHLCPP-UHFFFAOYSA-N
DG00315	Stavudine	18283	"DdeThd; DdeTyd; Dideoxydidehydrothymidine; Estavudina; STV; Sanilvudine; Stavudinum; Zent; Zerit; Zerit Xr; Zerut XR; BMY 27857; BMY27857; D 1413; D 4T; BMY-27857; Bristol-Myers Brand of Stavudine; Bristol-Myers Squibb Brand of Stavudine; D 4T (nucleoside); Estavudina [INN-Spanish]; Sanilvudine (JAN); Stavudine, Monosodium Salt; Stavudinum [INN-Latin]; Zerit (TN); Zerit(TM); D4T & GM-CSF; D4TMBY-27857-3; Stavudine (USAN/INN); Stavudine [USAN:BAN:INN]; Stavudine [USAN:INN:BAN]; Thymine, 1-(2,3-dideoxy-beta-D-glycero-pent-2-enofuranosyl)-(7CI,8CI); 1-(2,3-Dideoxy-beta-D-glycero-2-pentenofuranosyl)thymine; 1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine; 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione; 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione; 1-[5-(hydroxymethyl)-2,5-dihydro-2-furanyl]-5-methyl-2,4(1H,3H)-pyrimidinedione & Colony-stimulating factor 2; 2',3' Didehydro 3' deoxythymidine; 2',3'-Anhydrothymidine; 2',3'-DIDEHYDRO-3'-DEOXYTHYMIDINE (DDI); 2',3'-Didehydro-2',3'-dideoxythmidine; 2',3'-Didehydro-3'-deoxythimidine; 2',3'-Didehydro-3'-deoxythymidine; 3'-Azido-3'-deoxythymidine & Granulocyte-macrophage colony-stimulating factor; 3'-Deoxy-2',3'-didehydrothymidine; 3'-Deoxy-2'-thymidinene; D4T"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63581	DB00649	.	.	224.21	C10H12N2O4	78.9	388	-0.8	16	2	4	2	"1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO	XNKLLVCARDGLGL-JGVFFNPUSA-N
DG00316	Tyrphostin AG-1478	2051	"AG-1478; 153436-53-4; Tyrphostin AG 1478; N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine; 175178-82-2; Tyrphostin AG-1478; 4-(3-Chloroanilino)-6,7-dimethoxyquinazoline; AG 1478; AG1478; TYRPHOSTIN; 4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-; UNII-SUH0SEZ9HY; SUH0SEZ9HY; AG-1478 hydrochloride; AG-1478 (Tyrphostin AG-1478); CHEMBL7917; CHEBI:75404; N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine; NSC-693255; AK-63142; N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine; BRD6408; BRD-6408; SR-01000076156; NSC693255"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:75404	.	DR01471	.	315.75	C16H14ClN3O2	56.3	360	4	22	1	5	4	"1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)"	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC	GFNNBHLJANVSQV-UHFFFAOYSA-N
DG00317	Monastrol	2987927	"Monastrol; 329689-23-8; 254753-54-3; ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE; 4-(3-Hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4H-pyrimidin-5-carboxylic Acid Ethyl Ester; CHEBI:75382; ( inverted exclamation markA)-Monastrol; SR-01000357662; AC1MGLGQ; Probes2_000257; Probes2_000376; Probes1_000312; Probes1_000042; Probes1_000001; Oprea1_487786; Lopac0_000821; KBioSS_000613; CBDivE_015834; KBioGR_000613; BSPBio_001273; MLS006011746; SCHEMBL3168349; KBio3_001085; KBio2_000613"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:75382	DB04331	.	.	292.36	C14H16N2O3S	103	436	1.6	20	3	4	4	"1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)"	CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C	LOBCDGHHHHGHFA-UHFFFAOYSA-N
DG00318	Moxifloxacin	152946	"Avelox; MFX; MXF; MXFX; Vigamox; Avalox (TN); Avelon (TN); Avelox (TN); Moxifloxacin [INN:BAN]; Vigamox (TN); Avelox I.V.; Actira (*Hydrochloride*); Avelox (*Hydrochloride*); (1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid; 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63611	DB00218	DR00800	.	401.4	C21H24FN3O4	82.1	727	0.6	29	2	8	4	"1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1"	COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	FABPRXSRWADJSP-MEDUHNTESA-N
DG00319	Sitafloxacin	461399	"127254-12-0; Gracevit; Sitafloxacin Sesquihydrate; DU 6859; 163253-35-8; UNII-3GJC60U4Q8; DU-6859a; Sitafloxacin isomer II; DU 6859A; C19H18ClF2N3O3; 3GJC60U4Q8; CHEBI:4304; 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid; Sitafloxacin [INN]; 7-((S)-7-AMINO-5-AZASPIRO[2.4]HEPTAN-5-YL)-8-CHLORO-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; STFX; DU-6859; 127254-10-8; Sitafloxacin isomer III (RRS); 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid; 7-[(7S)-7-azanyl-5-azaspiro[2.4]heptan-5-yl]-8-chloranyl-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-4-oxidanylidene-quinoline-3-carboxylic acid; SITAFLOXACIN ISOMER III(RRS); SITAFLOXACINISOMER; SCHEMBL74553; 7-((7S)-Amino-5-azaspiro(2,4)heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2R)-cis-2-fluoro-1-cyclopropyl)-1,4-dihydro-4-oxoquinolone-3-carboxylic acid; 7-(7-Amino-5-azaspiro(2.4)heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid sesquihydrate; SITAFLOXACINISOMER(RRS); SITAFLOXACINISOMER(RSR); DU6859a; CHEMBL108821; AMSP00027; GTPL11040; HY-B0395; ZINC3795983; AKOS015962212; AC-1388; ACN-048224; AM85541; compound 33 [PMID: 7932562]; YF10030; (-)-7-((7S)-Amino-5-azaspiro(2,4)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxoq-3-uinolonecarboxylic acid; 3-Quinolinecarboxylic acid, 7-(7-amino-5-azaspiro(2.4)hept-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-, (1R-(1alpha(S*),2alpha))-; 3-Quinolinecarboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-; 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid; AT-21032; AB01568244_01; 253S358; A805671; A805673; J-519022; (-)-7-[(7s)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluoro-1-cyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 273401-03-9; 3-Quinolinecarboxylic acid, 7-((7S)-7-amino-5-azaspiro(24)hept-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-4-oxo-; 7-((7S)-7-Amino-5-azaspiro[2.4]hept-5-yl)-1-((1S,2S)-2-fluorocyclopropyl)-8-chloro-6-fluoro-4-oxohydroquinoline-3-carboxylic acid; 7-((S)-7-Amino-5-azaspiro[2.4]Heptan-5-yl)-8-chloro-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1 R,2S)-2-fluorocyclopropyl]-4-oxo-1,4-dihydro-3-quinolinecarboxyli c acid; rel-7-((R)-7-Amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-((1S,2R)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4304	DB13261	DR01687	.	409.8	C19H18ClF2N3O3	86.9	761	0.7	28	2	8	3	"1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1"	C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F	PNUZDKCDAWUEGK-CYZMBNFOSA-N
DG00320	Dichloroacetate	25975	"2,2-dichloroacetate; Dichloracetate; Dichloroacetate ion; 13425-80-4; Dichloroacetic acid ion(1-); DCA; BRN 3903873; 2q8h; ACETIC ACID, DICHLORO-, ION(1-); 2,2-bis(chloranyl)ethanoate; GTPL4518; CHEBI:28240; DTXSID40158610; STL483470; NCGC00241105-01; 68626-EP2292227A2; 68626-EP2292628A2; 68626-EP2298776A1; 68626-EP2308861A1; 68626-EP2374454A1; A839686; Q27077050"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	CHEBI:28240	DB08809	.	DR2512	127.93	C2HCl2O2-	40.1	55.1	1.8	6	0	2	0	"1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1"	C(C(=O)[O-])(Cl)Cl	JXTHNDFMNIQAHM-UHFFFAOYSA-M
DG00321	Beta-elemene	10583	"Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-; 33880-83-0; beta-Elemene, (-)-; (- )-bete-elemene; EINECS 251-713-0; AC1L1VID; Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-; OPFTUNCRGUEPRZ-UHFFFAOYSA-N; Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-; (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane; LS-56795; EN300-296339; 1-Methyl-1-vinyl-2,4-diisopropenylcyclohexane"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	204.35	C15H24	0	284	6.1	15	0	0	3	"1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3"	CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C	OPFTUNCRGUEPRZ-UHFFFAOYSA-N
DG00322	Carboxyamidotriazole orotate	11599548	.	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	580.8	C22H16Cl3N7O6	212	816	.	38	5	9	6	"1S/C17H12Cl3N5O2.C5H4N2O4/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25;8-3-1-2(4(9)10)6-5(11)7-3/h1-6H,7,21H2,(H2,22,27);1H,(H,9,10)(H2,6,7,8,11)"	C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl.C1=C(NC(=O)NC1=O)C(=O)O	MNWOBDDXRRBONM-UHFFFAOYSA-N
DG00323	Ormaplatin	13920603	TCDCP; Tetraplatin; Tetraplatinum; U-77233	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	451.1	C6H14Cl4N2Pt	52	82	.	13	2	2	0	"1S/C6H14N2.4ClH.Pt/c7-5-3-1-2-4-6(5)8;;;;;/h5-6H,1-4,7-8H2;4*1H;/q;;;;;+4/p-4"	C1CCC(C(C1)N)N.Cl[Pt](Cl)(Cl)Cl	VPOCYEOOFRNHNL-UHFFFAOYSA-J
DG00324	Bendamustine hydrochloride	65628	Treanda (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06769	.	DR0188	358.3	C16H21Cl2N3O2	58.4	380	2.9	23	1	4	9	"1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)"	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O	YTKUWDBFDASYHO-UHFFFAOYSA-N
DG00325	Bictegravir	90311989	"Bictegravir; 1611493-60-7; GS-9883; UNII-8GB79LOJ07; GS-9883-01; (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide; 8GB79LOJ07; (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide; Bictegravir [INN]; Bictegravir [USAN:INN]; bictegravirum; GS 9883; Bictegravir (USAN/INN); CHEMBL3989866; SCHEMBL15914278; GTPL11575; CHEBI:172943; BDBM330048; AMY12383; BCP25703; EX-A3161; GS9883; s5911; DB11799; DT-0020; 2,5-Methanopyrido(1',2':4,5)pyrazino(2,1-b)(1,3)oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-((2,4,6-trifluorophenyl)methyl)-, (2R,5S,13aR)-; AC-30658; HY-17605; CS-0014685; D10909; N16998; US9663528, 42; A902376; Q27270406; GS-9883; GS 9883; GS9883; GS-9883-01; (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.0(2),(1)(1).0 , ]hexadeca-4,7-diene-7-carboxamide; (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2, 1-b][1,3]oxazepine-10-carboxamide"	Phase 4	4	Approved Drug(s)	Phase 4	Small molecular drug	.	.	DB11799	.	.	449.4	C21H18F3N3O5	99.2	912	2.7	32	2	9	3	"1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1"	C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F	SOLUWJRYJLAZCX-LYOVBCGYSA-N
DG00326	Nutlin-3	216345	"Nutlin-3; 548472-68-0; 890090-75-2; nutlin-3A; nutlin 3; (+/-)-Nutlin3; CHEMBL211045; Nutlin 3(Random Configuration); MDM2 Antagonist, Nutlin-3, Racemic; 4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one; 4-({4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one; 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:93777	.	.	.	581.5	C30H30Cl2N4O4	83.5	919	5.2	40	1	5	6	"1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)"	CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl	BDUHCSBCVGXTJM-UHFFFAOYSA-N
DG00327	Temocapril hydrochloride	443873	Acecol (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32190	DB08836	.	.	513.1	C23H29ClN2O5S2	150	644	.	33	3	8	11	"1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl	XDDQNOKKZKHBIX-ASBZXGSUSA-N
DG00328	Ceftolozane sulfate	11592969	"Ceftolozane; CXA-101; CXA-301; CXA-301); Cephalosporin derivatives, Astellas; Cephalosporinderivatives, Calixa Therapeutics; FR-193879; FR-264205; FR-295389; CXA-101 (inhaled), Calixa; CXA-101 (inhaled), Cubist; Cephalosporin derivative (H pylori/P aeruginosa infection), Astellas; CXA-101 (inhaled, bacterial lung infection), Cubist"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB09050	.	.	764.8	C23H32N12O12S3	439	1360	.	50	9	20	12	"1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11+;/t12-,18-;/m1./s1"	CC(C)(C(=O)O)O/N=C(\\C1=NSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)[O-]	UJDQGRLTPBVSFN-GZGOMJRCSA-N
DG00329	Levothyroxine	5819	"Eltroxin; Euthyrox; Forthyron; Laevothyroxinum; Laevoxin; Levolet; Levothroid; Levothyrox; Levothyroxin; Levoxyl; Oroxine; Synthroid; THX; Tetraiodothyronine; Thyratabs; Thyrax; Thyreoideum; Thyroxevan; Thyroxin; Thyroxinal; Levothyroxine sodium; Synthroid sodium; Thyroxine [BAN]; Thyroxine iodine; LT00440967; T4 levothyroxine; DL-Thyroxin; Eltroxin (TN); Euthyrox (TN); Eutirox (TN); Forthyron (TN); L-Thryoxin; L-Thyroxin; L-thyroxine; Laevothyroxinum (acid); Levaxin (TN); Levo-T; Levothyroxine (BAN); Levothyroxinum (acid); Levoxyl (TN); Synthroid (TN); T-3850; T4 (Hormone); Thyrax (TN); Thyrox (TN); Thyroxine (VAN); Thyroxine (l); L-thyroxine (TN); Levothyroxine Sodium (L-thyroxine); Levothroid (*Sodiumsalt*); Synthroid (*Sodium salt*); Thyroxine, L-(8CI); L-3,5,3',5'-Tetraiodothyronine; O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine; Beta-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine; O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine; O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine; (-)-Thyroxine; (125I)T4; (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid; 2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid; 3,3',5,5""-Tetraiodo-L-thyronine; 3,3',5,5''-Tetraiodo-L-thyronine; 3,3',5,5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodothyronine; 3,5,3'5'-Tetraiodo-L-thyronine; 3-(4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)alanine; 3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine; 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:18332	DB00451	.	DR1950	776.87	C15H11I4NO4	92.8	420	2.4	24	3	5	5	"1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1"	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N	XUIIKFGFIJCVMT-LBPRGKRZSA-N
DG00330	Icotinib hydrochloride	44609731	Conmana; Conmanna; Icotinib; BPI-2009-H	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11737	.	.	427.9	C22H22ClN3O4	74.7	553	.	30	2	7	3	"1S/C22H21N3O4.ClH/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20;/h1,3-5,12-15H,6-11H2,(H,23,24,25);1H"	C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4.Cl	PNNGXMJMUUJHAV-UHFFFAOYSA-N
DG00331	Dovitinib lactate	135611162	"Dovitinib; 405169-16-6; CHIR-258; TKI-258; Chir 258; 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; CHIR258; Dovitinib (TKI-258, CHIR-258); UNII-I35H55G906; CHEMBL522892; 804551-71-1; I35H55G906; TKI 258; 1027263-12-2; (3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone; C21H21FN6O; 4-Amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)quinolin-2(1H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05928	.	DR1815	500.5	C24H29FN6O5	149	737	.	36	6	10	3	"1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2"	CC(C(=O)O)O.CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N.O	QDPVYZNVVQQULH-UHFFFAOYSA-N
DG00332	Pazopanib HCl	11525740	Votrient (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71217	DB06589	DR00185	.	474	C21H24ClN7O2S	127	717	.	32	3	8	5	"1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H"	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl	MQHIQUBXFFAOMK-UHFFFAOYSA-N
DG00333	Nelfinavir	64143	"Nelfinavir; nelfinavir; 159989-64-7; Viracept; Nelfinavir [INN:BAN]; AG1343; UNII-HO3OGH5D7I; AG-1343; C32H45N3O4S; NELFINAVIR MESYLATE AG1343; Viracept (TN); HO3OGH5D7I; CHEBI:7496; AG 1343; NLF; 1UN; 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE; (3S-(2(2S*,3S*),3alpha,4abeta,8abeta))-N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide; NFV; NFV; Nelfinavir Monomethane Sulfonate; AG1346; Nelfinavir (INN); Nelfinavir [BAN:INN]; AG1343 (*Mesylate salt*); Viracept (TM)(*Mesylate salt*); Met-SDF-1beta & Nelfinavir; Met-Stromal Cell-derived Factor-1beta (Human) & Nelfinavir; (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Antisense drug	.	.	DB00220	DR00420	.	567.8	C32H45N3O4S	127	830	5.7	40	4	6	10	"1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1"	CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	QAGYKUNXZHXKMR-HKWSIXNMSA-N
DG00334	Veliparib dihydrochloride	45480520	Veliparib; 912444-00-9; ABT-888; ABT 888; ABT-888 (Veliparib); Veliparib (ABT-888); ABT888; UNII-01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; CHEBI:62880; 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide; 01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-; (2r)-2-(7-Carbamoyl-1h-Benzimidazol-2-Yl)-2-Methylpyrrolidinium; Veliparib dihydrochloride	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB07232	.	.	317.21	C13H18Cl2N4O	83.8	348	.	20	5	3	2	"1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1"	C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl	DSBSVDCHFMEYBX-FFXKMJQXSA-N
DG00335	Viomycin sulfate	135524783	Viocin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06827	.	.	783.8	C25H45N13O14S	476	1360	.	53	17	17	10	"1S/C25H43N13O10.H2O4S/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;1-5(2,3)4/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);(H2,1,2,3,4)/b13-7-;/t10-,11+,12-,14-,15-,17-,18-;/m0./s1"	C1[C@@H](N=C(N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N.OS(=O)(=O)O	AQONYROJHRNYQQ-QMAPKBLTSA-N
DG00336	Pleuromutilins	9886081	"BC-3004; BC-3080; BC-3291; Pleuromutilins (oral, bacterial infection); Pleuromutilins (oral, bacterial infection), Nabriva"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	378.5	C22H34O5	83.8	645	3.5	27	2	5	4	"1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1"	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C	ZRZNJUXESFHSIO-BKUNHTPHSA-N
DG00337	Pirarubicin	636397	Pinorubicin (TN); Therarubucin (TN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32011	DB11616	DR01430	.	627.6	C32H37NO12	204	1120	2.7	45	5	13	7	"1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21-,22-,31+,32-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@H]6CCCCO6	KMSKQZKKOZQFFG-HSUXVGOQSA-N
DG00338	Rituximab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00073	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00339	Trastuzumab emtansine	.	.	Approved	1	Approved Drug(s)	Approved	Antibody drug conjugate	.	.	DB05773	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00340	Cetuximab	.	Erbitux; Cetuximab (genetical recombination); Erbitux (TN); Cetuximab (USAN/INN); Cetuximab (genetical recombination) (JAN); novel EGFR mAb inhibitors	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00002	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00341	Panitumumab	.	Vectibix; Panitumumab (genetical recombination); Vectibix (TN); Panitumumab (USAN/INN); Panitumumab (genetical recombination) (JAN); Panitumumab (EGFR mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01269	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00342	Pertuzumab	.	Pertuzumab (genetical recombination); Pertuzumab (USAN/INN); Pertuzumab (genetical recombination) (JAN); Pertuzumab (ERBB2 mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06366	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00343	L-asparaginase	.	"L-asparaginase (erythrocyte-encapsulated, acute lymphoblastic leukemia/solid tumor), ERYtech"	Approved	1	Approved Drug(s)	Approved	Other protein based therapies	.	.	DB00023	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00344	Pembrolizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB09037	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00345	Benzalkonium chloride	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11105	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00346	Trastuzumab	.	Herceptin; Herceptin (TN); Trastuzumab (INN); Trastuzumab (genetical recombination); Trastuzumab (genetical recombination) (JAN); Trastuzumab (ERBB2 mAb inhibitor)	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB00072	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00347	Matrine	91466	"Matrine; 519-02-8; (+)-Matrine; Matrinium; UNII-N390W430AC; CHEBI:6700; Matrene, (+)-; (7aS,13aR,13bR,13cS)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; N390W430AC; NSC 146051; BRN 0085851; Vegard; alpha-Matrine; cis-Neomatrine; trans-Neomatrine; a-Matrine; Matrine,(S); Matrine ((+)-Matrine); Matridin-15-one (9CI); 5-24-02-00301 (Beilstein Handbook Reference); SCHEMBL177907; CHEMBL204860; DTXSID00274188; HMS3884F13; AMY25701; BCP08193; HY-N0164; ZINC2083329; BDBM50249581; CM0087; MFCD00210527; NSC146051; s2322; AKOS007930266; CCG-208589; CS-1601; KS-5203; NSC-146051; NCGC00346593-01; O723; M2120; N1836; 19M028; (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	248.36	C15H24N2O	23.6	356	1.6	18	0	2	0	"1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1"	C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1	ZSBXGIUJOOQZMP-JLNYLFASSA-N
DG00348	Oxymatrine	114850	"Oxymatrine; 16837-52-8; Ammothamnine; Matrine N-oxide; Oxysophoridine; Matrine oxide; Oxymatrine,(S); Matrine 1beta-oxide; 54809-74-4; CHEBI:2672; (7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide; MFCD00210339; (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one; (1R,2R,9S,13R,17S)-13-Oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one; SMR000543093; Pachycarpidine; Matrine 1-oxide; MLS001215101; MLS006011817; Oxymatrine (Matrine N-oxide); CHEMBL458337; SCHEMBL13394285; DTXSID40937482; HMS2854E03; AMY25589; ZINC3881804; 7967AB; BBL030371; s2338; STK801916; AKOS004120031; AKOS022168212; AC-6063; CCG-267091; NCGC00346596-01; NCGC00346596-02; SOPHORIDINE N-OXIDE/OXYSOPHORIDINE; AS-15173; O357; AB0016411; A870349; Q-100202; Q15425294; (4(1)S,7aS,13aR,13bR)-10-oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide; 1212383-03-3; 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,dodecahydro-, 4-oxide, (7aR,13aR,13bR,13cS)-; 4-Oxotetradecahydro-1H,10H-4lambda~5~-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; rel-(41S,7aS,13aR,13bR)-10-Oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16276	.	.	264.36	C15H24N2O2	38.4	400	1	19	0	2	0	"1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17 /m0/s1"	C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]	XVPBINOPNYFXID-LHDUFFHYSA-N
DG00349	Calycosin	5280448	"Calycosin; 20575-57-9; 3'-hydroxyformononetin; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one; UNII-09N3E8P7TA; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; 3',7-dihydroxy-4'-methoxyisoflavone; 09N3E8P7TA; CHEBI:17793; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-; 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 7,3'-dihydroxy-4'-methoxyisoflavone; HSDB 8109; 3-Hydroxyformononetin; 3'-hydroxy-formononetin; SCHEMBL73013; MLS000876988; CHEMBL241608; MEGxp0_001325; ACon1_000650; DTXSID70174580; HMS2268B05; BCP28682; HY-N0519; ZINC6018563; LMPK12050056; MFCD00210598; s9038; AKOS015896719; 3',7-dihydroxy-4'-methoxy-isoflavone; AC-8043; CS-3715; MCULE-7559555984; NCGC00169494-01; LS-14468; SMR000440659; DB-045290; FT-0630465; N1412; X1103; C01562; 575C579; A814711; Q-100254; Q5024637; BRD-K05039497-001-01-6"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	284.26	C16H12O5	76	432	2.4	21	2	5	2	"1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3"	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O	ZZAJQOPSWWVMBI-UHFFFAOYSA-N
DG00351	NSC141562	5458295	"NSC141562; NSC-141562; CHEMBL2003340; 1-[(2-methylquinolin-3-yl)methyl]-3,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane, bromide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	376.3	C17H22BrN5	22.6	398	.	23	0	5	2	"1S/C17H22N5.BrH/c1-14-16(6-15-4-2-3-5-17(15)18-14)7-22-11-19-8-20(12-22)10-21(9-19)13-22;/h2-6H,7-13H2,1H3;1H/q+1;/p-1"	CC1=NC2=CC=CC=C2C=C1C[N+]34CN5CN(C3)CN(C5)C4.[Br-]	IYASYYOEAXFOPQ-UHFFFAOYSA-M
DG00352	2-Bromo-4-fluorobenzaldehyde	2773319	"2-Bromo-4-fluorobenzaldehyde; 59142-68-6; 2-bromo-4-fluoro-benzaldehyde; 2-Bromo-4-Fluoro Benzaldehyde; Benzaldehyde, 2-bromo-4-fluoro-; MFCD00672923; 4-FLUORO-2-BROMOBENZALDEHYDE; Bromo-4-fluoro benzaldehyde; 2-Bromo-4-fluorobezaldehyde; 2-bromo4-fluoro-benzaldehyde; SCHEMBL249018; DTXSID70378369; ACT00250; BCP29430; ZINC2567808; BBL021382; STK894095; AKOS005144223; AB06851; AC-2291; AS03017; CM11837; CS-W007439; LS10393; MCULE-8213351363; PS-8173; VZ23974; 2-Bromo-4-fluorobenzaldehyde, AldrichCPR; BC002351; L203; SY014169; AB0014585; DB-024154; AM20060032; B3498; FT-0640583; 142B686; J-508293; 2-Bromo-4-Fluoro Benzaldehyde;Benzaldehyde, 2-bromo-4-fluoro-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	203.01	C7H4BrFO	17.1	129	2.2	10	0	2	1	1S/C7H4BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H	C1=CC(=C(C=C1F)Br)C=O	OPZDXMCOWFPQPE-UHFFFAOYSA-N
DG00353	Cucurbitacin B	5281316	"Cucurbitacin B; 6199-67-3; Datisca principle B; Amarine; DATISCACIN; Datiscn Principle B; 1,2-Dihydro-alpha-elaterin; UNII-0115W5MABF; 0115W5MABF; CHEBI:3941; CUCURBITACIN R - DATISCA PRINCIPLE B; NSC49451; Cucurbitacin B hydrate; (R,E)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate; Cucurbitacine (B); Cucurbitacin-B; Cucurbitacine B; Cuc B; MLS002702988; HSDB 3476; 19-nor-9.beta.,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-; C32H46O8; NSC 49451; NSC 144154; SCHEMBL231815; CHEMBL508185; HY-N0416; ZINC4097797; LMST01010104; MFCD07778083; NSC-49451; NSC144154; s8165; AKOS015897085; CCG-270043; CS-3816; NSC-144154; 25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione; [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; 19-Nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 2beta,16alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-; AC-34283; Cucurbitacin B hydrate, >=97% (HPLC); N2787; X1115; C08794; 199C673; A924078; Q-100715; Q27106259; UNII-W3RWP6CB48 component IXQKXEUSCPEQRD-DKRGWESNSA-N; (2S,4R,23E)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate; (3E,6R)-6-[(1R,2R,4S,10S,11S,13R,14R,15R)-4,13-dihydroxy-1,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0 , .0 , ]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate; 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 2-beta,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate; 19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-; 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI); 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 25-acetate; 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanosta-5,23-dien-25-yl acetate"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	558.7	C32H46O8	138	1210	2.6	40	3	8	6	"1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1"	CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O	IXQKXEUSCPEQRD-DKRGWESNSA-N
DG00354	Iridium	23924	"7439-88-5; Ir; Iridium; Iridium black; iridium atom; Iridium wire; iridium ion (4+); Iridium, powder; MFCD00011062; Iridium metallicum; Iridium, elemental; Iridium, ion(Ir4 ); hydrido-iridium; Iridium powder; Iridium sponge; Iridium foil; Iridium-Mohr; iridium dihydride; Iridium Nanorods; Iridium compounds; HSDB 7067; Iridium Nanowires; iridium pentahydride; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (110) orientation, +/-0.5 degrees; EINECS 231-095-9; iridium(4+); iridium(iv) hydride; Iridium (IV) ion; Iridium Nanoparticles; UNII-44448S9773; Ir/C; Iridium powder, -60 mesh; Iridium powder, -325 mesh; Iridium sponge, -100 mesh; DTXSID0064674; CHEBI:49666; HSDB 7066; Ir(4+); 7282AH; Iridium, powder, puriss., 99.9%; Iridium powder, -22 mesh, Premion ; AKOS015833373; Iridium wire, 0.5mm (0.02in) dia; Iridium wire, 1.0mm (0.04in) dia; Iridium foil, 0.5mm (0.02in) thick; Iridium foil, 1.0mm (0.04in) thick; Iridium wire, 0.25mm (0.01in) dia; Q877; Iridium foil, 0.05mm (0.002in) thick; Iridium shot, 6-7mm (0.24-0.28in); Iridium wire, 0.075mm (0.003in) dia; Iridium wire, 0.125mm (0.005in) dia; CS-0082565; FT-0627287; Iridium, powder, 99.9% trace metals basis; Iridium foil, 0.25mm (0.01in) thick, hard; Iridium foil, 0.127mm (0.005in) thick, hard; Iridium pellet, approximately 1.3cm (0.5in) dia; Lanthanum Nickel Oxide (LaNiO3) Sputtering Targets; Q27461515; 44448S9773; I000000010; Iridium, sponge, -20 mesh, 99.9% trace metals basis; Iridium, AAS standard solution, Specpure , Ir 1000 g/ml; Iridium, rod, 100mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 100mm, diameter 3.0mm, as drawn, 99.9%; Iridium, rod, 25mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 25mm, diameter 3.0mm, as drawn, 99.9%; Iridium, rod, 50mm, diameter 2.0mm, as drawn, 99.9%; Iridium, rod, 50mm, diameter 3.0mm, as drawn, 99.9%; Iridium, wire, diam. 0.15 mm, 99.9% trace metals basis; Iridium, wire, diam. 0.5 mm, 99.9% trace metals basis; Iridium slug, 6.0mm (0.24in) dia x 6.0mm (0.24in) length; Iridium, black, powder, -200 mesh, >=99% trace metals basis; Iridium, foil, thickness 0.07 mm, 99.5% trace metals basis; Iridium, foil, thickness 0.1 mm, 99.5% trace metals basis; Iridium, foil, thickness 0.25 mm, 99.9% trace metals basis; Iridium, plasma standard solution, Specpure , Ir 10,000 g/ml; Iridium, plasma standard solution, Specpure , Ir 1000 g/ml; Iridium, rod, 4.0 mm diameter, length 25 mm, purity 99.9%; Iridium, rod, 4.0 mm diameter, length 50 mm, purity 99.9%; Iridium, wire reel, 0.1m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.3m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.4m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.5mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 1m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 1m, diameter 0.2mm, as drawn, 99.9%; Iridium, wire reel, 2m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 2m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 2m, diameter 0.15mm, as drawn, 99.9%; Iridium slug, 6.0mm (0.24in) dia x 12.0mm (0.48in) length; Iridium, foil, 25x25mm, thickness 0.125mm, as rolled, 99.9%; Iridium, foil, 25x25mm, thickness 0.15mm, as rolled, 99.9%; Iridium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.9%; Iridium, foil, thickness 0.1 mm, size 25 x 25 mm, purity 99.9%; Iridium, wire reel, 0.025m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.1mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 0.8mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 1.0mm, as drawn, 99.9%; Iridium, wire reel, 0.05m, diameter 2.0mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.1m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.1m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.2m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.2m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.075mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.125mm, as drawn, 99.5%; Iridium, wire reel, 0.5m, diameter 0.125mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.15mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.177mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.25mm, as drawn, 99.9%; Iridium, wire reel, 0.5m, diameter 0.38mm, as drawn, 99.9%; Iridium, wire, 0.25 mm diameter, size 100 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 1000 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 200 mm, purity 99.9%; Iridium, wire, 0.25 mm diameter, size 500 mm, purity 99.9%; Iridium, wire, straight, 100mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 100mm, diameter 1.0mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 200mm, diameter 1.0mm, as drawn, 99.9%; Iridium, wire, straight, 500mm, diameter 0.5mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.6mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.7mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 0.8mm, as drawn, 99.9%; Iridium, wire, straight, 50mm, diameter 1.0mm, as drawn, 99.9%; Iridium, 0.5% on activated carbon powder, reduced, nominally 50% water wet; Iridium, foil, thickness 0.03 mm, size 25 x 25 mm, purity 99.9%; Iridium, powder, 50 max. part. size (micron), weight 5 g, purity 99.9%; Iridium, powder, max. particle size 50 micron, weight 1 g, purity 99.9%; Iridium, powder, max. particle size 50 micron, weight 2 g, purity 99.9%; Iridium, evaporation slug, diam. x L 0.6 cm x 1.2 cm, 99.9% trace metals basis; Iridium, foil, 0.025m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.05m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.18m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, 0.1m coil, thickness 0.05mm, coil width .5mm, as rolled, 99.9%; Iridium, foil, light tested, 25x25mm, thickness 0.025mm, as rolled, 99.9%; Iridium, foil, light tested, 25x25mm, thickness 0.05mm, as rolled, 99.9%; Iridium, foil, light tested, 50x50mm, thickness 0.025mm, as rolled, 99.9%; Iridium, foil, light tested, 50x50mm, thickness 0.05mm, as rolled, 99.9%; Iridium, powder, 850 max. part. size (micron), high purity 99.995%, weight 1 g; Iridium, powder, 850 max. part. size (micron), weight 2 g, high purity 99.995%; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (100) orientation, +/-0.5 degrees; Iridium single crystal disc, 10mm (0.39in) dia, 1-2mm (0.04-0.08in) thick, (111) orientation, +/-0.5 degrees; Iridium, microfoil, disks, 10mm, thinness 0.1mum, specific density 224mug/cm2, permanent mylar 3.5mum support, 99.9%; Iridium, microfoil, disks, 25mm, thinness 0.1mum, specific density 224mug/cm2, permanent mylar 3.5mum support, 99.9%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	192.22	Ir	0	0	.	1	0	0	0	1S/Ir	[Ir]	GKOZUEZYRPOHIO-UHFFFAOYSA-N
DG00355	Taxane	9548828	"Taxane; 1605-68-1; (1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane; (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene; (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene; CHEBI:36064; DTXSID70936327; BAY59-8862; 87501-EP2270018A1; 87501-EP2272537A2; 87501-EP2277507A1; 87501-EP2281820A2; 87501-EP2286795A1; 87501-EP2289876A1; 87501-EP2289892A1; 87501-EP2295416A2; 87501-EP2295417A1; 87501-EP2298748A2; 87501-EP2298754A1; 87501-EP2298780A1; 87501-EP2301940A1; 87501-EP2305642A2; 87501-EP2305689A1; Q27116688; 6,10-Methanobenzocyclodecene, tetradecahydro-4,9,12a,13,13-pentamethyl-, (4R,4aR,6S,9R,10S,12aR)-; 6,10-Methanobenzocyclodecene, tetradecahydro-4,9,12a,13,13-pentamethyl-, (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	276.5	C20H36	0	355	8.1	20	0	0	0	"1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1"	C[C@@H]1CCC[C@@]2([C@@H]1C[C@@H]3CC[C@H]([C@@H](C3(C)C)CC2)C)C	DKPFODGZWDEEBT-QFIAKTPHSA-N
DG00356	S-1	146157327	S-1; BMS 247616; S 1; S 1 (antitumor agent); TS 1; TS 1 (pharmaceutical)	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	544.9	C17H19ClFKN6O9	215	683	.	35	5	10	2	"1S/C8H11FN2O3.C5H4ClNO2.C4H5N3O4.K/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;6-3-2-7-5(9)1-4(3)8;8-2(9)1-5-3(10)7-4(11)6-1;/h5-6H,1-4H2,(H,10,12,13);2H,1H2,(H,7,9);1H,(H,8,9)(H3,5,6,7,10,11);/q;;;+1/p-1"	C1CC(OC1)N2CC(C(=O)NC2=O)F.C1C(=O)C(=CNC1=O)Cl.C1(NC(=O)NC(=O)N1)C(=O)[O-].[K+]	IOYPGLLFUCOOCZ-UHFFFAOYSA-M
DG00357	Braf inhibitor	53438230	"BRAF inhibitor; N-[2,4-Difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-2-propanesulfonamide; C22H18F2N4O2S; N-(2,4-Difluoro-3-{[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)-2-propanesulfonamide; SCHEMBL150401; BCP27823; EX-A2629; 5506AC; ZINC71257194; AKOS025117572; CS-0055; PLX-4032(RG7204); NCGC00378825-01; AC-25237; HY-10247; DB-003735; R7204; F12499; 505D610; 2-Propanesulfonamide, N-[2,4-difluoro-3-[[5-(3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-; N-(2,4-difluoro-3-(5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)propane-2-sulfonamide; propane-2-sulfonic acid [2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-carbonyl)-phenyl]-amide; propane-2-sulfonic acid [2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	456.5	C22H18F2N4O3S	113	778	3.2	32	2	8	6	"1S/C22H18F2N4O3S/c1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13/h3-12,28H,1-2H3,(H,26,27)"	CC(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=CC=C4)F	SUNCACOTKLUNHD-UHFFFAOYSA-N
DG00358	Tyrosine kinase inhibitor	24956525	"Tyrosine kinase inhibitor; 1021950-26-4; 1-N'-(4-fluorophenyl)-1-N-[4-[[2-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide; SCHEMBL10108314; C31H31FN6O5; DTXSID40648066; BCP04781; EX-A2282; MDK-0264; 4136AH; NSC757436; ZINC43195804; CS-0524; NSC-757436; NCGC00390567-01; HY-10421; DB-058774; FT-0753909; EC-000.2366; 1,1-Cyclopropanedicarboxamide, N-(4-fluorophenyl)-N-[4-[[2-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-; N'1-(4-fluorophenyl)-N1-{4-[(2-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}cyclopropane-1,1-dicarboxamide; N~1~-(4-Fluorophenyl)-N'~1~-{4-[(2-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}cyclopropane-1,1-dicarboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	586.6	C31H31FN6O5	138	978	3.8	43	4	8	10	"1S/C31H31FN6O5/c32-20-1-3-21(4-2-20)35-29(40)31(10-11-31)30(41)36-22-5-7-23(8-6-22)43-26-9-12-33-27-24(26)19-25(37-27)28(39)34-13-14-38-15-17-42-18-16-38/h1-9,12,19H,10-11,13-18H2,(H,33,37)(H,34,39)(H,35,40)(H,36,41)"	C1CC1(C(=O)NC2=CC=C(C=C2)OC3=C4C=C(NC4=NC=C3)C(=O)NCCN5CCOCC5)C(=O)NC6=CC=C(C=C6)F	PKOVTRMHYNEBDU-UHFFFAOYSA-N
DG00359	GDP-beta-L-galactose	135398680	"GDP-beta-L-galactose; Guanosine-5'-Diphosphate-Beta-L-Galactose; guanosine 5'-diphospho-beta-L-galactopyranoside; guanosine 5'-[3-(beta-L-galactopyranosyl) dihydrogen diphosphate]; [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name); GDC; CHEBI:42660; C02280; Q27120477"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	605.3	C16H25N5O16P2	327	1050	-6.2	39	10	18	9	"1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1"	C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	MVMSCBBUIHUTGJ-JGQUBWHWSA-N
DG00360	Arborcandin C	9941831	"Arborcandin C; 21,24-Bis(carbamoylmethyl)-15-(2-carbamoyl-2-hydroxyethyl)-9,12-bis(1-hydroxyethyl)-6-(3-hydroxydodecyl)-27-(8-hydroxytetradecyl)-18-methyl-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	1284.5	C59H105N13O18	521	2320	0.9	90	18	18	33	"1S/C59H105N13O18/c1-6-8-10-12-13-15-20-24-38(76)26-27-40-53(84)64-33-48(81)63-29-28-47(80)66-39(25-21-17-14-16-19-23-37(75)22-18-11-9-7-2)54(85)69-43(32-46(61)79)56(87)70-42(31-45(60)78)55(86)65-34(3)52(83)68-41(30-44(77)51(62)82)57(88)71-50(36(5)74)59(90)72-49(35(4)73)58(89)67-40/h34-44,49-50,73-77H,6-33H2,1-5H3,(H2,60,78)(H2,61,79)(H2,62,82)(H,63,81)(H,64,84)(H,65,86)(H,66,80)(H,67,89)(H,68,83)(H,69,85)(H,70,87)(H,71,88)(H,72,90)"	CCCCCCCCCC(CCC1C(=O)NCC(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)C(C)O)CC(C(=O)N)O)C)CC(=O)N)CC(=O)N)CCCCCCCC(CCCCCC)O)O	AHATVKJRQUTSJV-UHFFFAOYSA-N
DG00361	Brefeldin A	5287620	"Brefeldin A; Ascotoxin; Synergisidin; Decumbin; Nectrolide; Cyanein; 20350-15-6; Cyanaein; Brefeldin-A; Brefeldin A prodrug; (+)-Brefeldin A; Bredfeldin A; UNII-XG0D35F9K6; NSC-89671; MLS001074108; XG0D35F9K6; CHEBI:48080; SMR000653527; Pfizer B 174987; (1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one; Antibiotic from Penicillium cyaneum; NSC 56310; SR-01000000180; MLS002701937; MLS002702862; CCRIS 9386; NSC107456; NSC244390; 1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-methyl-4H-cyclopent[f]oxacyclotridecin-4-one; NSC 89671; B 174987; Probes1_000313; SCHEMBL29267; MLS002153500; CHEMBL19980; PFIZER B174987; BDBM97307; cid_5287620; DTXSID00880041; HMS2233O20; 60132-23-2; BFA; 2283AH; NSC-56310; s7046; ZINC12371944; AM84700; CCG-208161; CS-3783; DB07348; NSC 107456; NSC 244390; NSC-107456; NSC-244390; NCGC00022909-02; (1S,2E,7S,10E,12R,13R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; 4H-Cyclopent(f)oxacyclotridecin-4-one,1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; HY-16592; SMR000768725; TOXIC SOLID, N.O.S. (BREFELDIN A); SW220015-1; C73840; Q168790; SR-01000000180-5; SR-01000000180-7; W-201775; BRD-K77841042-001-14-1; Brefeldin A, from Penicillium brefeldianum, >=99% (HPLC and TLC); Brefeldin A, >=99% (HPLC and TLC), BioXtra, for molecular biology; (1S,2E,7S,10E,12R,13R,15S)-7-methyl-12,15-bis(oxidanyl)-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; 11006-23-8; 4H-Cyclopent(f)oxacyclotridecin-4-one, 1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a,12,13, 14,14a-decahydro-1,13-dihydroxy-6-methyl-, [1R-(1R*,2E,6S*, 10E,11aS*,13S*,14aR*)]-; 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro- 1.beta.,13.alpha.-dihydroxy-6.beta.-methyl-; Brefeldin A, from Penicillium brefeldianum, Ready Made Solution, 10 mg/mL in DMSO, 0.2 mum filtered; Pfizer B 174987 4H-Cyclopent[f]oxacyclotridecin-4-one,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1R,2E,6S,10E,11aS,13S,14aR)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07348	.	.	280.36	C16H24O4	66.8	388	2	20	2	4	0	"1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1"	C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O	KQNZDYYTLMIZCT-KQPMLPITSA-N
DG00362	Nocodazole	4122	"Nocodazole; 31430-18-9; Oncodazole; R 17934; Nocodazolum; Nocodazol; NSC 238159; R 17,934; Methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; C14H11N3O3S; methyl (5-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; UNII-SH1WY3R615; Methyl 5-(2-thenoyl)-2-benzimidazolecarbamate; Methyl N-(5-thenoyl-2-benzimidazolyl)carbamate; NSC-238159; Methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate; N-(5-(2-Thenoyl)-2-benzimidazolyl)carbamic acid methyl ester; NSC238159; Methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate; R-17934; 2-Benzimidazolecarbamic acid, 5-(2-thienylcarbonyl)-, methyl ester; CHEMBL9514; MLS001164242; SH1WY3R615; 2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester; CHEBI:34892; Methyl (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)carbamate; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-, methyl ester; MFCD00005588; NCGC00015647-05; Nocidazole; SMR000326904; CAS-31430-18-9; [5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]-carbamic acid methyl ester; methyl (6-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazole-2-yl)-, methyl ester; Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; Methyl 5-(2-thienoyl)-2-benzimidazolecarbamate; DSSTox_CID_11800; DSSTox_RID_78890; DSSTox_GSID_31800; 2-Benzimidazolecarbamic acid, 5-(2-thienoyl)-, methyl ester; Methyl [5-(2-thienylcarbonyl)-1H- benzimidazol-2-yl]carbamate; methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate; N-(5-(2-Thienoyl)-2-benzimidazolyl)carbamic acid methyl ester; methyl N-[5-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; Nocodazole [USAN:INN]; Nocodazol [INN-Spanish]; Nocodazolum [INN-Latin]; R17934; SR-01000075979; EINECS 250-626-5; NSC 238 159; Nococazole; Methyl(5-(2-thienylcarbonyl))-1H-benzimidazole-2-yl carbamate; Methyl[5-(2-thienylcarbonyl)]-1H-benzimidazole-2-yl carbamate; N-[5-(2-Thenoyl)-2-benzimidazolyl]carbamic acid methyl ester; N-[5-(2-Thienoyl)-2-benzimidazolyl]carbamic acid methyl ester; (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester; Carbamic acid, (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-, methyl ester (9CI); Carbamic acid, [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI); NZO; Prestwick_359; Tocris-1228; 3ee2; Nocodazole (USAN/INN); Prestwick0_000100; Prestwick1_000100; Prestwick2_000100; Prestwick3_000100; Spectrum3_001768; Spectrum4_001060; Lopac-M-1404; ChemDiv1_000089; Probes1_000012; Probes1_000176; Probes2_000086; Probes2_000148; UPCMLD-DP111; Cambridge id 5175348; cid_4122; SCHEMBL9477; Lopac0_000733; Oprea1_483899; Oprea1_741554; BSPBio_000060; BSPBio_000982; BSPBio_003235; CBDivE_004971; CBDivE_008428; KBioGR_000322; KBioGR_001360; KBioSS_000322; MLS000860046; BIDD:GT0494; SPECTRUM1503266; Nocodazole Ready Made Solution; SPBio_001999; BPBio1_000066; DTXSID9031800; UPCMLD-DP111:001; BCBcMAP01_000161; BDBM97233; HMS587E01; KBio2_000322; KBio2_002890; KBio2_005458; KBio3_000643; KBio3_000644; KBio3_002735; ZINC56509; AOB6196; Bio1_000461; Bio1_000950; Bio1_001439; Bio2_000331; Bio2_000811; HMS1362B03; HMS1568C22; HMS1792B03; HMS1922O09; HMS1990B03; HMS2094G13; HMS2095C22; HMS2235E18; HMS3262C08; HMS3267F03; HMS3403B03; HMS3412A10; HMS3604E13; HMS3656J06; HMS3676A10; HMS3712C22; Pharmakon1600-01503266; BCP07558; EX-A5289; Tox21_110189; Tox21_500733; 2593AH; NSC759882; s2775; STK832483; Nocodazole, >=99% (TLC), powder; AKOS000538825; AKOS015901529; Tox21_110189_1; API0003615; CCG-101240; CCG-208075; CP-0076; CS-1893; DB08313; LP00733; MCULE-3133043736; NSC-759882; SB19455; SDCCGSBI-0050711.P003; IDI1_002086; QTL1_000062; SMP2_000261; NCGC00015647-01; NCGC00015647-02; NCGC00015647-03; NCGC00015647-04; NCGC00015647-06; NCGC00015647-07; NCGC00015647-08; NCGC00015647-09; NCGC00015647-10; NCGC00015647-11; NCGC00015647-12; NCGC00015647-13; NCGC00015647-14; NCGC00015647-15; NCGC00015647-18; NCGC00015647-33; NCGC00025058-01; NCGC00025058-02; NCGC00025058-03; NCGC00025058-04; NCGC00025058-05; NCGC00025058-06; NCGC00025058-07; NCGC00025058-08; NCGC00025058-09; NCGC00025058-10; NCGC00261418-01; AC-25615; AM807900; HY-13520; NCI60_001911; SBI-0050711.P002; AB0109635; EU-0100733; FT-0660415; SW102861-5; D05197; M 1404; 4-HYDROXY-3-IODO-BIPHENYL-4-CARBONITRILE; R17,934; Q2506092; SR-01000075979-1; SR-01000075979-3; SR-01000075979-6; SR-01000075979-9; W-202288; BRD-K12539581-001-06-2; BRD-K12539581-001-14-6; methyl 6-(thien-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; 2-Benzimidazolecarbamic acid, 5-(2-thenoyl)-, methyl ester (8CI); methyl [5-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate; methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate; methyl(6-(thiophene-2-carbonyl)-1H-benzo[d]imidazol-2-yl)carbamate; N-[6-(2-thenoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; [[5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]]carbamic acid methyl ester; [5-(2-Thienylcarbonyl)-1H-benzimidazol-2-yl]carbonic acid, methyl ester; carbamic acid, [6-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; Carbamic acid, N-[5-(2-thenoyl)-1H-benzimidazol-2-yl]-, methyl ester; [5-(Thiophene-2-carbonyl)-1H-benzoimidazol-2-yl]-carbamic acid methyl ester; Carbamic acid, N-[6-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]-, methyl ester; N-[6-[oxo(thiophen-2-yl)methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB08313	.	.	301.32	C14H11N3O3S	112	420	2.8	21	2	5	4	"1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3	KYRVNWMVYQXFEU-UHFFFAOYSA-N
DG00363	Cevipabulin	11488110	"Cevipabulin; 849550-05-6; UNII-P14M0DWS2J; TTI-237; P14M0DWS2J; 849550-05-6 (free base); 5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-((1S)-2,2,2-trifluoro-1-methylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(1S)-2,2,2-trifluoro-1- methylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.; 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; Cevipabulin [INN]; TTI 237; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; Cevipabulin(TTI 237); SCHEMBL4042827; CHEMBL1182714; AOB5715; DTXSID00233997; EX-A607; BCP28162; MFCD09832720; ZINC13981125; CS-4196; DB12533; HY-14949; B5922; A12591; 550C056; J-690362; Q27285989; TTI 237; TTI-237; TTI237; D06576; D 06576; D-06576; (S)-5-Chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino) propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6-{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine; 5-chloro-6{2,6-difluoro-4-[3-(methylamino)propoxy]phenyl}-N-[(1S)-2,2,2-trifluoro-1-methylethyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	DB12533	.	.	464.8	C18H18ClF5N6O	76.4	566	4.6	31	2	11	8	"1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1"	C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F	ZUZPCOQWSYNWLU-VIFPVBQESA-N
DG00364	Cadmium	23973	"7440-43-9; Cadmium; Cd; Colloidal cadmium; Cadmium, elemental; Kadmium; UNII-00BH33GNGH; Cadmium hydride (CdH2); MFCD00010914; 00BH33GNGH; Cadmium compounds; Kadmium [German]; 72172-64-6; cadmio; Cadmium powder; Cadmium, Reference Standard Solution; CCRIS 112; HSDB 282; 81271-94-5; Cadmium, mass of 135; EINECS 231-152-8; Cadmium metal; Cadmium pieces; C I 77180; Cadmium granules; C.I. 77180; Elemental cadmium; CD135; Cadmium single crystal, 15mm (0.59in) dia, 50mm (2.0in) long, (111) orientation, +/-2 degrees; Cadmium, p.a.; Cadmium metal-sticks; Cadmium shot, 3N5; Cadmium [Cadmium and cadmium compounds]; Cadmium powder 325 mesh; 48Cd; Cadmium, >=99.9%; EC 231-152-8; Cadmium powder - 100mesh; Cadmium [Cadmium and certain cadmium compounds]; Cadmium powder, -200 mesh; Cadmium powder, -325 mesh; Cadmium, thermovacuum aerosol; Aerosol of thermovacuum cadmium; Cadmium shot, 5cm (2in) dia; DTXSID1023940; NIOSH/EV3380000; CHEBI:22977; CHEBI:37249; Cadmium powder, 99.999%, 5N; 8234AF; AKOS015902734; Cadmium rod, 12.7mm (0.5in) dia; DB14085; Cadmium foil, 0.5mm (0.02in) thick; Cadmium shot, tear drop, -5+20 mesh; Cadmium shot, tear drop, 3mm (0.1in); Cadmium, granular, >=99%, 5-20 mesh; Cadmium, granular, 30-80 mesh, >=99%; Cadmium, purum p.a., for filling reductors; Cadmium rod, 8mm (0.3in) dia, Puratronic; EV33800000; Q1091; C01413; Cadmium, rod, 25mm, diameter 40mm, 99.9%; Cadmium, rod, 50mm, diameter 40mm, 99.9%; H11246; Cadmium, rod, 100mm, diameter 40mm, 99.9%; Cadmium shot, 1-3mm (0.04-0.1in), Puratronic ; Cadmium wire, 0.64mm (0.025in) dia, Puratronic; Cadmium, rod, 50mm, diameter 10.0mm, 99.999%; Cadmium, shot, 3 mm, 99.999% trace metals basis; Cadmium foil, 0.025mm (0.001in) thick, Puratronic; Cadmium, rod, 100mm, diameter 10.0mm, 99.999%; Cadmium, rod, 200mm, diameter 10.0mm, 99.999%; Cadmium, foil, 4mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.01mm, 99.7+%; Cadmium, powder, -100 mesh, 99.5% trace metals basis; Cadmium, foil, 10mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 10mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.01mm, 99.7+%; Cadmium, foil, 15mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 4mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 6mm disks, thickness 0.025mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.005mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.015mm, 99.7+%; Cadmium, foil, 8mm disks, thickness 0.025mm, 99.7+%; Cadmium, rod, diam. 4.0 mm, 99.999% trace metals basis; Cadmium, wire reel, 1m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 1m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 2m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 2m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 5m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 5m, diameter 0.5mm, hard, 99.99+%; Cadmium wire, 0.5mm (0.02in) dia, 99.998% (metals basis); Cadmium wire, 1.0mm (0.04in) dia, 99.998% (metals basis); Cadmium wire, 2.0mm (0.08in) dia, 99.998% (metals basis); Cadmium, foil, 0.5m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 10mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 15mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 1m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 25mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 2m coil, thickness 0.5mm, as rolled, 100%; Cadmium, foil, 4mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 50mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 50x50mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 6mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, foil, 8mm disks, thickness 1.0mm, as rolled, 100%; Cadmium, purum p.a., for metal reduction, 99.99%, granular; Cadmium, rod, 1000mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 100mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 150mm, diameter 10.0mm, as drawn, 99.99+%; Cadmium, rod, 200mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, rod, 300mm, diameter 10.0mm, as drawn, 99.99+%; Cadmium, rod, 500mm, diameter 5.0mm, as drawn, 99.99+%; Cadmium, wire reel, 0.1m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.1m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.1m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.1m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.1m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.2m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.2m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.2m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 0.5mm, hard, 99.95+%; Cadmium, wire reel, 0.5m, diameter 0.5mm, hard, 99.99+%; Cadmium, wire reel, 0.5m, diameter 1.0mm, hard, 99.999%; Cadmium, wire reel, 0.5m, diameter 2.0mm, hard, 99.99+%; Cadmium, wire reel, 10m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 1m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire reel, 1m, diameter 1.2mm, as drawn, 99.99+%; Cadmium, wire reel, 2m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 2m, diameter 1.2mm, as drawn, 99.99+%; Cadmium, wire reel, 5m, diameter 0.125mm, as drawn, 99.9%; Cadmium, wire reel, 5m, diameter 0.25mm, hard, 99.99+%; Cadmium, wire, diam. 1.0 mm, 99.999% trace metals basis; Cadmium foil, 0.05mm (0.002in) thick, 99.999% (metals basis); Cadmium foil, 0.1mm (0.004in) thick, 99.9975% (metals basis); Cadmium foil, 0.25mm (0.01in) thick, 99.9975% (metals basis); Cadmium foil, 0.5mm (0.02in) thick, 99.9975% (metals basis); Cadmium foil, 1.0mm (0.04in) thick, 15x15cm (5.9x5.9in); Cadmium foil, 1.0mm (0.04in) thick, 99.998% (metals basis); Cadmium foil, 2.0mm (0.08in) thick, 99.998% (metals basis); Cadmium ingot/button, ca. 36mm (1.4in) dia x 8mm (0.3in) thick; Cadmium wire, 0.3mm (0.013in) dia, 99.999% (metals basis); Cadmium, foil, 100x100mm, thickness 0.25mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 100x100mm, thickness 1.0mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 100x100mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 10mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 10mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 10mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 10mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 150x150mm, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 150x150mm, thickness 3.0mm, as rolled, 99.9%; Cadmium, foil, 15mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 15mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 15mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 15mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 195x200mm, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 200x200mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 200x200mm, thickness 1.0mm, as rolled, 99.99%; Cadmium, foil, 25mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 25mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 25mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 25mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 25x25mm, thickness 0.125mm, as rolled, 99.99+%; Cadmium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 25x25mm, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 25x25mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 25x25mm, thickness 1.0mm, as rolled, 99.999%; Cadmium, foil, 300x1000mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 300x300mm, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 300x300mm, thickness 0.5mm, as rolled, 99.99%; Cadmium, foil, 300x300mm, thickness 2.0mm, as rolled, 99.99%; Cadmium, foil, 30x100mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 30x150mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 30x50mm, thickness 0.5mm, as rolled, 99.999%; Cadmium, foil, 4mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 0.125mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.9%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 0.25mm, as rolled, 99.99+%; Cadmium, foil, 4mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 4mm disks, thickness 1.0mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.05mm, as rolled, 99.99+%; Cadmium, foil, 50mm disks, thickness 0.125mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.25mm, as rolled, 99.95%; Cadmium, foil, 50mm disks, thickness 0.5mm, as rolled, 99.95%; Cadmium, foil, 50x100mm, thickness 1.0mm, as rolled, 99.999%; Cadmium, foil, 50x200mm, "	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14085	.	.	112.41	Cd	0	0	.	1	0	0	0	1S/Cd	[Cd]	BDOSMKKIYDKNTQ-UHFFFAOYSA-N
DG00365	Desethylamodiaquine	122068	"Desethylamodiaquine; Monodesethylamodiaquine; 79352-78-6; N-DESETHYL AMODIAQUINE; UNII-BY36SG7NP9; BY36SG7NP9; CHEMBL1235; 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol; N-MONODESETHYLAMODIAQUINE (DEAQ); 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol; N-Desethyl amodiaquine diHCl; N-desethylamodiaquine; bidesethylamodiaquine; 4-((7-Chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)phenol; DESETHYL AMODIAQUINE; SCHEMBL14067597; DTXSID20229630; BCP34368; ZINC5139697; BDBM50056190; AKOS025401980; SB73009; AC-27753; HY-128554; CS-0095816; FT-0665940; A933931; 4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl-phenol; 4-[(7-chloro-4-quinolyl)amino]-2-(ethylaminomethyl)phenol; Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-; N-Desethyl Amodiaquine-d5 Phenol,2-(aminomethyl)-4-[(7-chloro-4-quinolinyl)amino]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	327.8	C18H18ClN3O	57.2	370	2.3	23	3	4	5	"1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)"	CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O	VRXFDHAGFYWGHT-UHFFFAOYSA-N
DG00366	Disorazole C1	101668901	Disorazole C1; 158181-52-3	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	774.9	C44H58N2O10	164	1350	8.9	56	2	12	8	"1S/C44H58N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-24,29-32,35-38,47-48H,25-28H2,1-8H3/b13-11-,14-12-,19-15-,20-16-,21-9+,22-10+,23-17-,24-18-/t31-,32-,35-,36-,37-,38-/m0/s1"	C/C=C/[C@H](O)C([C@H]1OC(=O)C2=COC(=N2)C[C@H](/C=C\\C=C/C=C\\C[C@H](OC(=O)C3=COC(=N3)C[C@H](/C=C\\C=C/C=C\\C1)OC)C([C@@H](O)/C=C/C)(C)C)OC)(C)C	FGVAPNZAWLGHCU-BBJFQTBJSA-N
DG00367	Disorazole A1	44566233	Disorazole A1; CHEMBL501853; SCHEMBL13593476	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	758.9	C43H54N2O10	167	1490	8.3	55	2	12	7	"1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3/b11-10-,14-12-,18-8+,19-9+,20-13+,21-15+,22-17-,25-16-/t29-,32-,33+,34-,35-,36-,37-/m0/s1"	C/C=C/[C@@H](C(C)(C)[C@@H]1C/C=C\\C=C/C=C/[C@@H](CC2=NC(=CO2)C(=O)O[C@@H](C/C=C\\[C@@H]3[C@@H](O3)/C=C/C=C\\C4=NC(=CO4)C(=O)O1)C(C)(C)[C@H](/C=C/C)O)OC)O	FRFRWOXVYJSPCG-YEYPPUHMSA-N
DG00368	4-Nitroquinoline N-oxide	5955	"4-Nitroquinoline N-oxide; 56-57-5; 4-Nitroquinoline 1-oxide; 4-Nitroquinoline-1-oxide; 4-NITROQUINOLINE-N-OXIDE; Nitrochin; 4-NQO; Quinoline, 4-nitro-, 1-oxide; 4-Nitroquinoline oxide; 4-nitro-1-oxidoquinolin-1-ium; 4 NQO; 4-nitroquinolin-1-ium-1-olate; CHEBI:16907; 4-Nitroquinolin-1-oxide; Quinoline, 4-nitro-, oxide; CCRIS 458; 4-nitroquinolin-1-ol; HSDB 4316; 4-Nitrochinolin N-oxid; NSC 19645; AI3-60200; UNII-X5081510EV; 4-Nitrochinoline-N-oxide; BIDD:ER0541; SCHEMBL105454; CHEMBL127655; WLN: T66 BNJ BO ENW; DTXSID5025780; CS-D0398; EX-A4093; NSC19645; ZINC1529664; 4-Nitroquinoline N-oxide, >=98%; AB4039; MFCD00006738; NSC-19645; AKOS015897246; SB67483; X5081510EV; AS-58188; DB-052942; FT-0619297; N0250; Z2900; 4-Nitroquinoline N-oxide, analytical standard; C03474; 95599-EP2277881A1; 95599-EP2305672A1; AC-907/25014229; Quinoline, 4-nitro-, 1-oxide (6CI,8CI,9CI); J-515890; J-640451; J-800475; Q4637188; NQO"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	190.16	C9H6N2O3	71.3	229	1.1	14	0	3	0	1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H	C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]	YHQDZJICGQWFHK-UHFFFAOYSA-N
DG00369	Gentamicin C	3084091	"Gentamicin C; 11097-82-8; (2R,3S,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Gentamicin C complex"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	449.5	C19H39N5O7	214	592	-5	31	8	12	6	"1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12+,13-,14+,15-,16+,17+,18+,19-/m0/s1"	C[C@@]1(CO[C@@H]([C@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O	VEGXETMJINRLTH-ALRICIOSSA-N
DG00370	Sisomicin	36119	"Sisomicin; Rickamicin; Sisomycin; 32385-11-8; Sissomicin; Antibiotic 6640; Antibiotic 66-40; Sch 13475; Dehydrogentamicin Cla; Sch-13475; UNII-X55XSL74YQ; X55XSL74YQ; CHEBI:9169; Sisomin; D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-; Sisomicinum; Sisomicina; Sisomicine; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Sch 13475 sulfate; Sisomicine [INN-French]; Sisomicinum [INN-Latin]; Salvamina; Sisomicina [INN-Spanish]; Siseptin sulfate; (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yloxy]-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside; (1s,2s,3r,4s,6r)-4,6-Diamino-3-{[(2s,3r)-3-Amino-6-(Aminomethyl)-3,4-Dihydro-2h-Pyran-2-Yl]oxy}-2-Hydroxycyclohexyl 3-Deoxy-4-C-Methyl-3-(Methylamino)-Beta-L-Arabinopyranoside; (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-diamino-3-(((2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol; O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine; C19H37N5O7; EINECS 251-018-2; BRN 1357913; Sisomicin [USAN:INN:BAN]; Sch13475; sisomicin-sulfate; SiS; SISO; Sisomicin (USAN/INN); SCHEMBL49395; O-2,6-Diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-2-deoxy-D-streptamine; O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-L-streptamine; CHEMBL221886; GTPL10858; ZINC56870809; AKOS015895179; DB12604; (2S-cis)-4-O-(3-Amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl)-2-deoxy-6-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl)-D-streptamine; 85S118; C00494; D02544; Q3962119; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12604	.	DR2408	447.5	C19H37N5O7	214	643	-5.1	31	8	12	6	"1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	URWAJWIAIPFPJE-YFMIWBNJSA-N
DG00371	Colistin A	202195	"Colistin A; Polymyxin E1; Colistin IV; Polymixin E1; CHEBI:59064; 4,10-anhydro{N-[(6R)-6-methyloctanoyl]-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine}; NCGC00161620-01; DSSTox_CID_29005; DSSTox_RID_83270; DSSTox_GSID_49079; SCHEMBL49226; CHEMBL3183122; Tox21_113638; CAS-7722-44-3; Q27126429"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1169.5	C53H100N16O13	491	2070	-2.8	82	18	18	29	"1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,42+,43+/m1/s1"	CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O	XDJYMJULXQKGMM-RVYUQJQSSA-N
DG00372	Colistin B	25138298	"Colistin b; Polymyxin E2; 7239-48-7; UNII-B142O7Y03E; CHEBI:59673; B142O7Y03E; polymyxin E2 sulfate; N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide; 4,10-anhydro[N-(6-methylheptanoyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine]; SCHEMBL1860364; CHEMBL1089240; Polymyxin E2 sulfate (P056); Q27126844; UNII-Z67X93HJG1 component KNIWPHSUTGNZST-SSWRVQTPSA-N; 30387-41-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1155.4	C52H98N16O13	491	2050	-3.3	81	18	18	28	"1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1"	C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O	KNIWPHSUTGNZST-SSWRVQTPSA-N
DG00373	Gentamicin B	11754987	"Gentamicin B; BETAMICIN; 36889-15-3; Gentamycin B; UNII-67W9DGG4C7; 67W9DGG4C7; Sch 14342; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; Betamicina; Betamicine; Betamicinum; Betamicin [INN]; Betamicine [INN-French]; Betamicinum [INN-Latin]; Betamicina [INN-Spanish]; SCHEMBL509198; CHEMBL2110604; ZINC8214501; Q27264175; (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-((1R,2R,3S,4R,6S)-4,6-diamino-3-((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yloxy)-2-hydroxycyclohexyloxy)tetrahydro-2H-pyran-3,4,5-triol; D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-; O-6-Amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	482.5	C19H38N4O10	248	652	-6.2	33	10	14	6	"1S/C19H38N4O10/c1-19(29)5-30-17(13(28)16(19)23-2)32-14-6(21)3-7(22)15(12(14)27)33-18-11(26)10(25)9(24)8(4-20)31-18/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)N)O	RHRAMPXHWHSKQB-GGEUKFTFSA-N
DG00374	Pristinamycin IIA	5459319	"Virginiamycin m1; Streptogramin A; Mikamycin A; Pristinamycin IIA; Ostreogrycin a; Virginiamycin Factor M1; 21411-53-0; UNII-8W4UOL59AZ; 8W4UOL59AZ; CHEBI:9997; VERNAMYCIN A; NSC87434; NSC 244426; Vernamycin A & B mixture; SCHEMBL673193; CHEMBL1236670; HY-N6686; EINECS 244-376-6; MFCD00869411; NSC 87432; NSC-87434; Vernamycin A & vernamycin B (1:1); DB01669; Vernamycin A, mixture with vernamycin B; VERNAMYCIN A & B MIXTURE (1:1); CS-0019826; Virginiamycin M1 100 microg/mL in Acetonitrile; UNII-4O8O7Q7IU4 component DAIKHDNSXMZDCU-FQTGFAPKSA-N; (3R,4R,5E,10E,12E,14S)-14-hydroxy-3-isopropyl-4,12-dimethyl-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; 8,9,14,15,24,25-Hexahydro-14-hydroxy-3-isopropyl-4,12-dimethyl-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone; 8,9,14,15,24,25-Hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-3H-21,18-nitrilo-1H,22H-pyrrolo(2,1-c)(1,8,4,19)dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB01669	.	.	525.6	C28H35N3O7	139	1030	2.5	38	2	8	1	"1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1"	C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C	DAIKHDNSXMZDCU-FQTGFAPKSA-N
DG00375	Dibekacin	470999	"Dibekacin; Panamicin; Dideoxykanamycin B; 34493-98-6; 3',4'-Dideoxykanamycin B; UNII-45ZFO9E525; BRN 1441606; CHEBI:37945; 45ZFO9E525; Debecacin; DKB; DKM; O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-2-deoxy-L-streptamine; Dibekacina; Dibekacine; Dibekacinum; Kappati; (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside; (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside; Dibekacin [INN:BAN]; Dibekacine [INN-French]; Dibekacinum [INN-Latin]; Dibekacina [INN-Spanish]; Dibekacin (INN); D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)-(1-4)-2-deoxy-; EINECS 252-064-6; Spectrum_001398; Spectrum2_001528; Spectrum3_000960; Spectrum4_001074; Spectrum5_001613; NCGC00095276-01; DSSTox_CID_2915; DSSTox_RID_76787; DSSTox_GSID_22915; SCHEMBL49816; KBioGR_001428; KBioSS_001878; SPBio_001316; CHEMBL560976; DTXSID2022915; KBio2_001878; KBio2_004446; KBio2_007014; KBio3_002060; HY-B1129; ZINC8214383; Tox21_111496; AC-315; AKOS025402025; CCG-213771; CS-4725; DB13270; NCGC00389765-01; CAS-34493-98-6; D07811; AB01563356_01; Q3706873; (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol; 84D"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13270	.	DR2603	451.5	C18H37N5O8	248	579	-5.8	31	9	13	6	"1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N	JJCQSGDBDPYCEO-XVZSLQNASA-N
DG00376	Streptothricin	475825	"STREPTOTHRICINS; Streptothricin; 54003-27-9; EINECS 258-911-6; DTXSID60202321; [6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-(3,6-diaminohexanoylamino)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate; [6-[(E)-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(3,6-diaminohexanoylamino)-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	502.5	C19H34N8O8	269	816	-5.5	35	10	11	11	"1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7 ,8-,9 ,11-,12+,13 ,14 ,15 ,17 /m1/s1"	C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O	NRAUADCLPJTGSF-WJPMJIHPSA-N
DG00377	Butirosina	72393	"Butirosina; Ambutyrosin; Butirosin; 12772-35-9; (2R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide; Butirosin [INN]; Butirosine; Butirosinum; Butirosine [INN-French]; Butirosinum [INN-Latin]; Butirosina [INN-Spanish]; DTXSID60925967; 4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanimidic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	555.6	C21H41N5O12	312	772	-7.3	38	12	16	10	"1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)O)O[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	XEQLFNPSYWZPOW-NUOYRARPSA-N
DG00378	Florfenicol	114811	"Florfenicol; 73231-34-2; Nuflor; (-)-Florfenicol; Sch-25298; 76639-94-6; Sch 25298; Aquafen; Nuflor gold; C12H14Cl2FNO4S; UNII-9J97307Y1H; 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide; CHEBI:87185; MFCD00864834; D-threo-2,2-Dichloro-N-(alpha-(fluoromethyl)-beta-hydroxy-p-(methylsulfonyl)phenethyl)acetamide; 9J97307Y1H; Acetamide, 2,2-dichloro-N-((1S,2R)-1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)-; 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]acetamide; 2,2-Dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)-2-propyl]acetamide; DSSTox_CID_25500; DSSTox_RID_80918; DSSTox_GSID_45500; 2,2-Dichloro-N-((1R,2S)-3-fluoro-1-hydroxy-1-(4-(methylsulfonyl)phenyl)propan-2-yl)acetamide; Florfenicol [USAN:INN:BAN]; 2,2-Dichloro-N-(1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)acetamide; NCGC00016922-01; CAS-73231-34-2; Nuflor (TN); Prestwick0_000955; Prestwick1_000955; Prestwick2_000955; Prestwick3_000955; Florfenicol (USAN/INN); SCHEMBL49425; BSPBio_000950; MLS002154071; SPBio_003099; BPBio1_001046; CHEMBL1241590; DTXSID9045500; SCHEMBL21835523; (-)-Florfenicol;SCH-25298; D-(-)-threo-2-Dichloroacetamido-3-fluoro-1-(4-methylsulfonylphenyl)-1-propanol; HMS1570P12; HMS2090I10; HMS2097P12; HMS2230K18; HMS3714P12; ZINC537733; ACT06682; HY-B1374; Aquafen; ; ; Nuflor; ; ; SCH-25298; Tox21_110683; s4201; AKOS015889457; Tox21_110683_1; AC-4340; CCG-220955; CS-4857; DB11413; KS-5028; NSC 759287; 2,2-dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide; NCGC00179366-01; NCGC00179366-03; NCGC00179366-04; [R-(R*,S*)]-2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide; 2,2-Dichloro-N-((alphaS,betaR)-alpha-(fluoromethyl)-beta-hydroxy-p-(methylsulfonyl)phenethyl)acetamide; 2,2-Dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide; Acetamide, 2,2-dichloro-N-(1-(fluoromethyl)-2-hydroxy-2-(4-(methylsulfonyl)phenyl)ethyl)-, (R-(R*,S*))-; Benzenesulfonic acid, 4-(2-((dichloroacetyl)amino)-3-fluoro-1-hydroxypropyl)-, methyl ester, (R-(R*,S*))-; BF166386; SMR001233384; AB0008500; (methylsulfonyl)phenyl)propan-2-yl)acetamide; AB00513976; F0811; SW197224-3; D04194; J10454; T72886; AB00513976_09; 231F342; A838774; Q408400; Florfenicol, analytical standard, for drug analysis; BRD-K11298197-001-03-9; 2,2-dichloro-N-((1R,2S)-3-fluoro-1-hydroxy-1-(4-; (1R,2S)-2-DICHLOROACETAMIDO-3-FLUORO-1-[4-(METHYLSULFONYL) PHENYL]-1-PROPANOL; (1R,2S)-2-dichloroacetamido-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol; 2,2-Dichlor-N-((1R,2S)-3-fluor-1-hydroxy- 1-(4-(methylsulfonyl)-phenyl)-propan-2-yl)-ethanamide; 2,2-dichloro-N-[(1R,2R)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide; 2,2-dichloro-N-{(1R,2S)-3-fluoro-1-hydroxy-1-[4-(methanesulfonyl)phenyl]propan-2-yl}acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11413	.	.	358.2	C12H14Cl2FNO4S	91.8	447	0.8	21	2	5	6	"1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1"	CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O	AYIRNRDRBQJXIF-NXEZZACHSA-N
DG00379	Pristinamycin IA	11136668	"Pristinamycin IA; Streptogramin B; Ostreogrycin B; Antibiotic PA 114B; NSC 92554; UNII-V50XJ0NC3I; V50XJ0NC3I; CHEBI:8417; Mikamycin IA; 3131-03-1; Virginiamycin B; Vernamycin BA; Vernamycin B alpha; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-(4-(dimethylamino)benzyl)-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide; 4-(4-(Dimethylamino)-N-methyl-L-phenylalanine)virginiamycin S1; 4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1; PA 114B; Antibiotic PA 114B1; Antibiotic PA 114 B1; CHEMBL1256399; SCHEMBL13176900; HY-A0279A; C45H54N8O10; ZINC9574677; CS-5850; BRN 0078387; X8445; 4-27-00-09718 (Beilstein Handbook Reference); J-018376; Q14035740; UNII-4O8O7Q7IU4 component YGXCETJZBDTKRY-DZCVGBHJSA-N; UNII-JN6G9U5358 component YGXCETJZBDTKRY-DZCVGBHJSA-N; Virginiamycin S1, 4-(4(dimethylamino)-N-methyl-L-phenylalanine)-; Vernamycin Balpha; Virginiamycin S1, 4-(4-(dimethylamino)-N-methyl-L-phenylalanine)- (9CI); N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide; N-[(6R,9S,10R,13S,15aS,22S,24aS)-22-{[4-(dimethylamino)phenyl]methyl}-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB13704	.	.	867	C45H54N8O10	228	1700	2.8	63	4	12	7	"1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)/t26-,31-,32+,33+,34+,36+,37+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C	YGXCETJZBDTKRY-DZCVGBHJSA-N
DG00380	Bacitracin F	3082210	"Bacitracin F; 5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[4-methyl-2-[[2-(2-methylbutanoyl)-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]-5-oxopentanoic acid; 22601-63-4; UNII-W7FFC6JWF9; W7FFC6JWF9; Bacitracin F (~75per cent); B021"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1419.6	C66H98N16O17S	551	2830	-0.5	100	16	21	31	"1S/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)"	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2=CSC(=N2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4	FCLQHQCOKGKLHR-UHFFFAOYSA-N
DG00381	Enacyloxin IIA	5288163	"Enacyloxin iia; Q27459995; (1S,3R,4S)-3-{[(2E,4E,6E,8E,10Z,12S,13R,14S,17R,18S,19R,20E)-19-(carbamoyloxy)-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy}-4-hydroxycyclohexanecarboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	702.6	C33H45Cl2NO11	214	1240	3.7	47	6	11	20	"1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20-,21+,23+,24-,26-,27-,29+,30-,31-/m1/s1"	CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N	IWBADCVFZDCUTN-OCXJTLLTSA-N
DG00382	Kasugamycin	65174	"KASUGAMYCIN; 6980-18-3; Kasumin L; Kasumin 2L; Kasuminl; UNII-O957UYB9DY; alpha-D-lyxo-; O957UYB9DY; CHEBI:81419; 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid; Kasu B; (1s,2r,3s,4r,5s,6s)-2,3,4,5,6-Pentahydroxycyclohexyl 2-Amino-4-{[carboxy(Imino)methyl]amino}-2,3,4,6-Tetradeoxy-Alpha-D-Arabino-Hexopyranoside; HSDB 6695; KSM; BRN 1403823; SR-05000001429; C14H25N3O9; EINECS 234-260-3; NSC 100858; SCHEMBL70535; CHEMBL1631109; DTXSID1040374; SCHEMBL12858482; SCHEMBL16011710; HMS2089A11; ZINC4216682; AKOS025310863; ZINC100042889; ZINC100045947; 11030-24-3; 3-O-(2-Amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-D-chiro-inositol sulphate; D-chiro-Inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-; X6751; C17968; Q3193879; SR-05000001429-1; (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL; (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside; 2-((2R,3S,5S,6R)-5-amino-2-methyl-6-((1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyloxy)tetrahydro-2H-pyran-3-ylamino)-2-iminoacetic acid; 2-[[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]tetrahydropyran-3-yl]amino]-2-imino-acetic acid; 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE; 3-O-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl]-D-chiro-inositol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	379.36	C14H25N3O9	221	532	-6.7	26	8	11	4	"1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6 ,7+,8+,9-,10+,11 ,14-/m1/s1"	C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N	PVTHJAPFENJVNC-UQTMRZPGSA-N
DG00383	Matromycin	72493	"Oleandomycin; Amimycin; Matromycin; Romicil; Landomycin; 3922-90-5; UNII-P8ZQ646136; CHEBI:16869; P8ZQ646136; PA 775; Oleandomicina; Oleandomycine; Oleandomycinum; Oleandomycin [INN]; Antibiotic PA-105; Oleandomycine [French]; Oleandomycin [INN:BAN]; Oleandomycine [INN-French]; Oleandomycinum [INN-Latin]; Oleandomicina [INN-Spanish]; HSDB 7442; EINECS 223-495-7; AI3-50163; Prestwick3_000152; SCHEMBL3717; BSPBio_000284; BPBio1_000314; CHEMBL606258; Oleandomycin (chloroform solvate); BDBM234401; LMPK04000007; ZINC85432018; DB11442; NCGC00179617-01; 12-((2,6-Didesoxy-3-O-methyl-alpha-K-arabino-hexopyranosyl)oxy)-8-hydroxy-5,7,8,11,13,15-hexamethyl-14-((3,4,6-tridesoxy-3-dimethylamino-beta-D-xylo-hexopyranosyl)oxy)-1,9-dioxaspiro(2.13)hexadecan-4,10-dion; E704; HY-116010; AB00513809; CS-0063452; C01946; (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11442	.	DR1189	687.9	C35H61NO12	166	1090	2.6	48	3	13	6	"1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C	RZPAKFUAFGMUPI-QESOVKLGSA-N
DG00384	Gentamicin A	12810388	"Gentamicin A; C01917; 13291-74-2; C18H36N4O10; ZINC56870883; Y1680; (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	468.5	C18H36N4O10	248	608	-6.4	32	10	14	6	"1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1"	CN[C@H]1[C@@H](CO[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O	LKKVGKXCMYHKSL-QVNYEEQUSA-N
DG00385	Piperacillin/Tazobactam	23724843	"Tazocin (TN); Zosyn (TN); Piperacillin-tazobactam; Piperacillin-tazobactam mixt.; Piperacillin-tazobactam mixture; NIOSH/XI0191450; Piperacillin sodium and tazobactam; DTXSID001016418; Tazobactam and piperacillin (JP17); Piperacillin-tazobactam mixt. (4:1); Tazobactam-piperacillin mixt. (1:4); XI01914500; D02505; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2-alpha,3-beta,5-alpha))-, mixt. with (2S-(2-alpha,5-alpha,6-beta(S*)))-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (1:4)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	839.8	C33H38N9NaO12S2	315	1560	.	57	3	15	9	"1S/C23H27N5O7S.C10H12N4O5S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);2-3,7-8H,4-5H2,1H3,(H,16,17);/q;;+1/p-1/t13-,14+,15-,20+;7-,8+,10+;/m01./s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na+]	TUPFOYXHAYOHIB-WZGOVNIISA-M
DG00386	Tiamulin	656958	"Tiamulin; 55297-95-5; Thiamutilin; Tiamulina; Tiamuline; Tiamulinum; Tiamulin pamoate; UNII-E38WZ4U54R; Denagard (TN); E38WZ4U54R; CHEBI:44137; Denagard; Tiavet P; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate; Tiamulina [Italian]; AC1LCVRY; Tiamuline [INN-French]; Tiamulinum [INN-Latin]; Tiamulina [INN-Spanish]; HSDB 7026; Tiamulin [USAN:USP:INN:BAN]; EINECS 259-580-0; BRN 2229396; Tiamulin (USP/INN); SQ 14055; CHEMBL1234521; DTXSID2046701; SCHEMBL18232392; 14-Deoxy-14-((2-diethylaminoethyl-thio)-acetoxy)mutiline; (hydroxy-tetramethyl-oxo-vinyl-[ ]yl) 2-(2-diethylaminoethylsulfanyl)acetate; HY-B2060; ZINC4217557; BBL036673; STL559052; DB11468; ((2-(Diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-; ((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10)-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one; ((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one; Acetic acid, [[2-(diethylamino)ethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester; SO 14055; CS-0014153; D06127; Q7800111; (3aS,4R,5S,6S,8R,9R,9aR,10R)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy- 4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl [[2-(diethylamino)ethyl]sulfanyl]acetate; 3-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-hydroxy-4-(2-naphthyl)butanoic acid; Acetic acid, ((2-(diethylamino)ethyl)thio)-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester; Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11468	.	.	493.7	C28H47NO4S	92.1	770	5.6	34	1	6	10	"1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1"	CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C	UURAUHCOJAIIRQ-QGLSALSOSA-N
DG00387	Methymycin	5282034	"Methymycin; UNII-16QGD97DXG; 497-72-3; 16QGD97DXG; CHEBI:29630; (3r,4s,5s,7r,9e,11s,12r)-12-Ethyl-11-Hydroxy-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 3,4,6-Trideoxy-3-(Dimethylamino)-Beta-D-Xylo-Hexopyranoside; (3R,4S,5S,7R,9E,11S,12R)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione; MT9; SCHEMBL654455; CHEMBL489347; LMPK04000037; Q27110190"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	469.6	C25H43NO7	106	711	2.7	33	2	8	4	"1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1"	CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	HUKYPYXOBINMND-HYUJHOPRSA-N
DG00388	Quinupristin/Dalfopristin	23724510	Quinupristin-dalfopristin; Quinupristin - dalfopristin mixt; Synercid (TN); 126602-89-9; CHEBI:8733; C08034; D00854; Q1763990	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1713.1	C87H117N13O19S2	441	3350	.	121	6	25	17	"1S/C53H67N9O10S.C34H50N4O9S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b;10-9+,12-11+,23-18+/t31-,35 ,37-,38+,39 ,40+,43-,44+,45+;24-,25-,28-,31 ,32-/m11/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(C(=O)CC3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C.CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C	PPKJUHVNTMYXOD-HVWWIRKTSA-N
DG00389	Chalcomycin	5382748	"CHALCOMYCIN; NSC150439; (6E,14E)-12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione; 20283-48-1; NSC-150439; 4,14-diene-5,13-dione, 2-[[(6-deoxy-2,3-di-O-methyl-.beta.-D-allopyranosyl)oxy]methyl]-9-[(4,6-dideoxy-3-O-methyl-.beta.-D-xylo-hexopyranosyl)oxy]-12-hydroxy-3,8,10,12-tetramethyl-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	700.8	C35H56O14	181	1160	1.4	49	3	14	8	"1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+"	CC1CC(C(C(O1)OC2C(CC(C(=O)/C=C/C3C(O3)C(C(OC(=O)/C=C/C2C)C)COC4C(C(C(C(O4)C)O)OC)OC)(C)O)C)O)OC	KLGADJPDTCIJLO-JASOSIDASA-N
DG00390	Ticarcillin/Clavulanic acid	6437075	"Ticarcillin-clavulanic acid; 86482-18-0; BRL 28500; Clavulanic acid mixture with Ticarcillin; (2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Clavulanic acid - ticarcillin mixt.; Ticarcillin - clavulanic acid mixt.; BRL-28500; Ticarcillin disodium and clavulanate potassium; Ticarcillin-clavulanic acid mixt.; TIMENTIN IN PLASTIC CONTAINER; TICAR & CA; Clavulanic acid & Ticarcillin; Ticarcillin & Clavulanic acid; Ticarcillin and clavulanic acid; SCHEMBL1650350; CHEMBL3137696; DTXSID10235588; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-alpha,3Z,5-alpha))-, mixt. with (2S-(2-alpha,5-alpha,6-beta(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; Timentin (Ticarcillin disodium/Clavulanate potassium); (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-(3-thienyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-alpha,3Z,5-alpha))-, & (2S-(2-alpha,5-alpha,6-beta(S*)))-6-((carboxy-3-thienylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	583.6	C23H25N3O11S2	265	963	.	39	5	13	7	"1S/C15H16N2O6S2.C8H9NO5/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	XWMVMWTVLSLJGY-FAJPTIRJSA-N
DG00391	Benzoylecgonine	448223	"Benzoylecgonine; O-Benzoylecgonine; (-)-Benzoylecgonine; o-Benzoyl-(-)-ecgonine; Ecgonine benzoate; 519-09-5; 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; UNII-5353I8I6YS; CHEBI:41001; (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid; 5353I8I6YS; Benzoylecgonine hydrate; Benzoylecgonine solution; DSSTox_CID_26758; DSSTox_RID_81882; DSSTox_GSID_46758; BEG; (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid; (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid; CAS-519-09-5; Theracys; Cocaine metabolite; NCGC00168248-01; NCGC00168248-02; EINECS 208-263-5; Epitope ID:158630; SCHEMBL116803; CHEMBL1231248; DTXSID7046758; Ecgonine, benzoate (6CI,7CI); 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-; ZINC2572652; Tox21_112607; Tox21_112853; MFCD00070263; AKOS030254449; Benzoylecgonine 0.1 mg/ml in Methanol; Benzoylecgonine 1.0 mg/ml in Methanol; DB01515; Q2499888; (1R,5S,8R)-2beta-Carboxy-3beta-(benzoyloxy)tropane; Benzoylecgonine solution, analytical standard, 1.0 mg/mL in methanol; 1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, benzoate (ester) (8CI); 3-beta-hydroxy-1-alpha-H,-5-alpha-H-tropane-2-beta-carboxylic acid benzoate; (1beta,5beta,8-anti)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- (9CI); Benzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Benzoylecgonine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB01515	.	.	289.33	C16H19NO4	66.8	419	-0.3	21	1	5	4	"1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1"	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O	GVGYEFKIHJTNQZ-RFQIPJPRSA-N
DG00392	Microcin J25	101038823	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	2107.3	C101H139N23O27	807	4990	8	151	25	47	21	"1S/C101H139N23O27/c1-11-55(7)84-98(148)108-50-80(134)119-86(58(10)126)101(151)124-38-20-26-74(124)96(146)122-85(56(8)12-2)99(149)117-72(51-125)94(144)116-68(39-59-21-15-13-16-22-59)90(140)113-67(41-61-27-31-64(127)32-28-61)88(138)106-46-76(130)103-45-75(129)104-47-77(131)110-57(9)87(137)105-48-78(132)111-71(43-63-44-102-52-109-63)93(143)121-83(54(5)6)100(150)123-37-19-25-73(123)95(145)112-66(35-36-81(135)136)89(139)114-69(42-62-29-33-65(128)34-30-62)91(141)115-70(40-60-23-17-14-18-24-60)92(142)120-82(53(3)4)97(147)107-49-79(133)118-84/h13-18,21-24,27-34,44,52-58,66-74,82-86,125-128H,11-12,19-20,25-26,35-43,45-51H2,1-10H3,(H,102,109)(H,103,130)(H,104,129)(H,105,137)(H,106,138)(H,107,147)(H,108,148)(H,110,131)(H,111,132)(H,112,145)(H,113,140)(H,114,139)(H,115,141)(H,116,144)(H,117,149)(H,118,133)(H,119,134)(H,120,142)(H,121,143)(H,122,146)(H,135,136)/t55-,56-,57-,58+,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-,86-/m0/s1"	CC[C@H](C)[C@H]1C(=NCC(=N[C@H](C(=O)N2CCC[C@H]2C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=NCC(=NCC(=N[C@H](C(=NCC(=N[C@H](C(=N[C@H](C(=O)N3CCC[C@H]3C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=N1)O)O)C(C)C)O)CC4=CC=CC=C4)O)CC5=CC=C(C=C5)O)O)CCC(=O)O)O)C(C)C)O)CC6=CN=CN6)O)O)C)O)O)O)O)CC7=CC=C(C=C7)O)O)CC8=CC=CC=C8)O)CO)O)[C@@H](C)CC)O)[C@@H](C)O)O)O	TVZWTTNULXZYTK-UBTJVNBSSA-N
DG00393	N-methyl-n-nitro-n-nitrosoguanidine	13146027	SCHEMBL1536062; SCHEMBL8581312; DTXSID00521861; 2-methyl-3-nitro-nitrosoguanidine; N-methyl-N'-nitro-N''-nitrosoguanidine; N''-Methyl-N-nitro-N'-nitrosoguanidine; 66542-13-0	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	147.09	C2H5N5O3	112	159	0	10	2	5	2	"1S/C2H5N5O3/c1-3-2(4-6-8)5-7(9)10/h1H3,(H2,3,4,5,8)"	CN=C(NN=O)N[N+](=O)[O-]	POJDZWIPNZWPAU-UHFFFAOYSA-N
DG00394	Dapt (Gsi IX)	5311272	"Dapt; 208255-80-5; DAPT (GSI-IX); GSI-IX; gamma-Secretase Inhibitor IX; CHEBI:86193; tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate; LY-374973; CHEMBL255682; MFCD04974585; (S)-tert-butyl 2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate; Glycine, N-[2-(3,5-difluorophenyl)acetyl]-L-alanyl-2-phenyl-, 1,1-dimethylethyl ester, (2S)-; tert-butyl (S)-2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate; N-[N-(3,5-difluorophenacetyl)-L-alanyl]-S-phenylglycine tert-butyl ester; DAPT (peptide); GSIIX; GSI IX; N-(2FPhAc)Ala-phenyl-Gly t-butyl ester; DAPT,GSI-IX; DAPT - GSI-IX; MLS006010075; QCR-29; SCHEMBL1360313; TB2634-GMP; GTPL11363; DTXSID00415519; EX-A324; C23H26F2N2O4; HMS3413L17; HMS3677L17; HMS3884P09; AOB33372; ZINC1549363; BDBM50478375; N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester; s2215; AKOS024457209; N-[N-(3,5-Difluorophenacetyl)-L-alanyl]-S-phenylglycine t-butyl ester; CCG-264944; CS-0264; MRF-0000012; NCGC00167803-03; (3,5-Difluorophenylacetyl)-Ala-Phg-OtBu; AC-23163; AS-19399; HY-13027; SMR004701228; AB0033805; D4257; SW219339-1; X7572; AB01566837_01; J-013656; J-524356; Q27158972; (3,5-Difluorophenylacetyl)-L-alanyl-L-2-phenylglycine tert-Butyl Ester; (2S)-N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenyl]glycine 1,1-dimethylethyl ester; (2S)-N-[(3,5-Difluorophenyl)acetyl]-L-alanyl-2-phenylglycine 1,1-dimethylethyl ester; N-[2-(3,5-Difluorophenyl)acetyl]-L-alanyl-L-(2-phenyl)glycine tert-butyl ester; N-{N-[2-(3,5-Difluorophenyl)acetyl]-(S)-alanyl}- (S)-phenylglycine tert-butyl ester; tert-butyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate; (S)-{(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-propionylamino}-phenyl-acetic acid tert-butyl ester; t-butyl (2s)-2-[[(2s)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate; tert-butyl (2R)-[((2S)-2-{[(3,5-difluorophenyl)acetyl]aMino}propanoyl)aMino](phenyl)ethanoate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	432.5	C23H26F2N2O4	84.5	622	3.7	31	2	6	9	"1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1"	C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F	DWJXYEABWRJFSP-XOBRGWDASA-N
DG00395	Orthocresol	335	"O-cresol; 2-Methylphenol; 95-48-7; Orthocresol; 2-hydroxytoluene; Phenol, 2-methyl-; 2-Cresol; o-methylphenol; o-Cresylic acid; o-Oxytoluene; o-Toluol; o-Hydroxytoluene; o-Methylphenylol; 1-Hydroxy-2-methylbenzene; ortho-cresol; o-Kresol; 2-methyl phenol; Cresol, ortho-; Cresol, o-; o-Kresol [German]; 2-Hydroxy-1-methylbenzene; Cresylic acid; 2-methyl-phenol; Cresol, o-isomer; hydroxy toluene; Phenol, methyl-; UNII-YW84DH5I7U; NSC 23076; Cresol mixture of isomers; 1-Methyl-2-hydroxybenzene; YW84DH5I7U; CHEBI:28054; MFCD00002226; TOLUENE,2-HYDROXY (ORTHO-CRESOL); o-Cresol [UN2076] [Poison, Corrosive]; DSSTox_CID_1808; Cresol mixture of isomers;Methylphenol;Tricresol; DSSTox_RID_76341; WLN: QR B1; DSSTox_GSID_21808; CAS-95-48-7; Orthocresol [NF]; Cresols are organic compounds which are methylphenols. They are a widely occurring natural and manufactured group of aromatic organic compounds, which are categorized as phenols.; CCRIS 646; FEMA No. 3480; HSDB 1813; EINECS 202-423-8; ortho cresol; Methyl phenol; 2-methyiphenol; AI3-00137; JZ0; O-Cresol,(S); Carvacrol derivative, 9; o-Cresol, >=99%; bmse000433; UN 2076 (Related); EC 202-423-8; 2-Methylphenol (o-cresol); ortho-cresol,2-methylphenol; SCHEMBL16002; MLS002454426; o-Cresol, analytical standard; BIDD:ER0677; CHEMBL46931; 3C7H8O; DTXSID8021808; FEMA 3480; BDBM248166; HMS2268O24; LABOTEST-BB LTBB001400; ZINC901022; o-Cresol, for synthesis, 99.3%; 2-Methylphenol, analytical standard; NSC23076; NSC36809; Tox21_202305; Tox21_300021; NSC-23076; NSC-36809; STL194295; o-Cresol, ReagentPlus(R), >=99%; AKOS000119021; AS00217; MCULE-4124485112; NCGC00091534-01; NCGC00091534-02; NCGC00091534-03; NCGC00091534-04; NCGC00254140-01; NCGC00259854-01; o-Cresol, SAJ first grade, >=97.0%; SMR001252248; 2-Methylphenol 100 microg/mL in Methanol; FT-0656046; Z3651; 7520-EP2277867A2; 7520-EP2280003A2; 7520-EP2292227A2; 7520-EP2295426A1; 7520-EP2295427A1; 7520-EP2295435A1; 7520-EP2298751A2; 7520-EP2302015A1; 7520-EP2305683A1; 7520-EP2308861A1; 7520-EP2311839A1; 7520-EP2314584A1; 7520-EP2314589A1; 7520-EP2316470A2; 7520-EP2316832A1; 7520-EP2316833A1; 7520-EP2316837A1; C01542; 19034-EP2311811A1; 19034-EP2314576A1; 28670-EP2279750A1; 28670-EP2284146A2; 28670-EP2284147A2; 28670-EP2284165A1; 28670-EP2287159A1; 28670-EP2305673A1; 28670-EP2308838A1; 28670-EP2308865A1; 28670-EP2308877A1; 28670-EP2311815A1; 28670-EP2311834A1; 28670-EP2314579A1; 28670-EP2372017A1; 45193-EP2311821A1; 93911-EP2269977A2; 93911-EP2305625A1; 1-Hydroxyl 2-Methyl Benzene, 2-Hydroxyl Toluene; Q312708; J-006098; J-523819; F0001-2271; UNII-3JYG22FD73 component QWVGKYWNOKOFNN-UHFFFAOYSA-N; UNII-GF3CGH8D7Z component QWVGKYWNOKOFNN-UHFFFAOYSA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	108.14	C7H8O	20.2	70.8	2	8	1	1	0	"1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3"	CC1=CC=CC=C1O	QWVGKYWNOKOFNN-UHFFFAOYSA-N
DG00396	Bisbenzimide (Hoechst 33258)	1464	"Hoechst 33342; 23491-52-3; Bisbenzimide; hoechst33342; UNII-99KZS6CNZX; Ho 342; 2'-(4-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazole; EINECS 245-691-1; 99KZS6CNZX; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole; CHEMBL343002; CHEBI:51232; 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole; 2'-(4'-Ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bis-1H-benzimidazole trihydrochloride trihydrate"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:51232	.	DR01292	.	452.6	C27H28N6O	73.1	664	4.6	34	2	5	5	"1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)"	CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C	PRDFBSVERLRRMY-UHFFFAOYSA-N
DG00397	Anastrozole	2187	"Anastrazole; Anastrole; Anastrozol; Arimidex; Asiolex; Astra brand of anastrozole; AstraZeneca brand of anastrozole; Zeneca brand of anastrozole; ZD 1033; ZD1033; Zeneca ZD 1033; Arimidex (TN); Arimidex (Zeneca); Arimidex, Anastrozole; ZD-1033; Anastrozole [USAN:INN:BAN]; Anastrozole (JAN/USAN/INN); Alpha,alpha,alpha',alpha'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; Alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile; 1,3-benzenediacetonitrile, a, a,a', a'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl); 2,2'-(5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene)bis(2-methylpropionitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile); 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile); 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2704	DB01217	DR00464	DR0113	293.4	C17H19N5	78.3	456	2.1	22	0	4	4	"1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3"	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N	YBBLVLTVTVSKRW-UHFFFAOYSA-N
DG00399	"4',6-Diamidino-2-phenylindole"	2954	"DAPI; 4',6-Diamidino-2-phenylindole; 47165-04-8; 2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide; 4',6-Diamidinophenyl-indole; CHEBI:51231; 2-(4-(Aminoiminomethyl)phenyl)-1H-indole-6-carboximidamide; UNII-K9W25Z7ROH; K9W25Z7ROH; 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE; 2-(4-carbamimidoylphenyl)-1H-indole-6-carboxamidine; DATI; 4',6-Diamino-2-phenylindol; CCRIS 3826; antifade; BRN 3557399; Indole-6-carboximidamide, 2-(4-(aminoiminomethyl)phenyl)-; MolMap_000017; CHEMBL48217; SCHEMBL235865; GTPL5498; NPE759; ZINC56538; DTXSID50963757; BDBM50010058; AKOS025213592; SMP1_000093; A827164; Q238382"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	277.32	C16H15N5	116	413	1.6	21	5	2	3	"1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)"	C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N	FWBHETKCLVMNFS-UHFFFAOYSA-N
DG00400	Gentamicin	3467	"Alcomicin; Apogen; Bristagen; Cidomycin; GENTAMYCIN; Garamycin; Garasol; Gentacidin; Gentacycol; Gentafair; Gentak; Gentamar; Gentamicina; Gentamicine; Gentamicins; Gentamicinum; Gentamycinum; Gentavet; Gentocin; Jenamicin; Refobacin; Uromycine; Garamycin Otic Solution; Genoptic Liquifilm; Gentamcin Sulfate; Gentamicin sulphate sterile; Refobacin TM; Gentamicin C1; G-Mycin; G-Myticin; Garamycin (TN); Gentamicin (BAN); Gentamicin (TN); Gentamicina [INN-Spanish]; Gentamicine [INN-French]; Gentamicinum [INN-Latin];Gentamycin-creme; Gentamycin-creme [German]; Ocu-Mycin; Spectro-Genta; U-Gencin; Genoptic S.O.P.; O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine; (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside; (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl (6x)-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-erythro-heptopyranoside; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; 4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)pentopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00798	DR01198	DR2174	477.6	C21H43N5O7	200	636	-4.1	33	8	12	7	"1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3"	CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	CEAZRRDELHUEMR-UHFFFAOYSA-N
DG00402	Rhodamine 6G	3806	"Juglone; juglone; 481-39-0; 5-Hydroxy-1,4-naphthoquinone; 5-Hydroxy-1,4-naphthalenedione; Regianin; Juglon; Nucin; 5-Hydroxynaphthalene-1,4-dione; Walnut extract; 5-Hydroxynaphthoquinone; Akhnot; Yuglon; 8-Hydroxy-1,4-naphthoquinone; CI Natural Brown 7; 1,4-NAPHTHALENEDIONE, 5-HYDROXY-; 5-Hydroxy-p-naphthoquinone; 1,4-Naphthoquinone, 5-hydroxy-; CI 75500; Juglane; Jugnlon; Iuglon; Caswell No 515AA; 1,4-Naphthoquinone, 8-hydroxy-; 5-Hydroxy-1,4-naphthosemiquinone; 5-Hydroxy-1,4-naftochinon; UNII-W6Q80SK9L6; NSC 622948; NSC 153189; CCRIS; JUGLONE"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:15794	DB03825	.	.	174.15	C10H6O3	54.4	280	1.9	13	1	3	0	"1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H"	C1=CC2=C(C(=O)C=CC2=O)C(=C1)O	KQPYUDDGWXQXHS-UHFFFAOYSA-N
DG00403	Letrozole	3902	"Femara; Femera; Letoval; Letrozol; Novartis Brand of Letrozole; CGS 20267; CGS-20267; FEM-345; Femara (TN); Letrozole [USAN:INN]; CGS 20267, Femara, Piroxicam, Letrozole; Letrozole (JAN/USP/INN); 1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole; 1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole; 4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile; 4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile); 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile; 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-Benzonitrile Letrozole; 4,4'-(1h-1,2,4-triazol-1-ylmethylene) bis-benzonitrile; 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile; 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bisbenzonitrile; 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6413	DB01006	.	DR0929	285.3	C17H11N5	78.3	420	2.7	22	0	4	3	"1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H"	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	HPJKCIUCZWXJDR-UHFFFAOYSA-N
DG00404	Probenecid	4911	"Apurina; Bencid; Benecid; Benemid; Benemide; Benuryl; Panuric; Parabenem; Probalan; Probampacin; Probecid; Proben; Probenecida; Probenecide; Probenecidum; Probenemid; Probenicid; Probenid; Probexin; Prolongine; Robenecid; Sulprin; Tubophan; Uricosid; Urocid; Biokanol Brand of Probenecid; ICN Brand of Probenecid; IDIS Brand of Probenecid; Major Brand of Probenecid; Martec Brand of Probenecid; Merck Brand of Probenecid; Ophthalmic Brand of Probenecid; Parmed Brand of Probenecid; Probenecid Major Brand; Probenecid Martec Brand; Probenecid Parmed Brand; Probenecid Weimer; Probenecid Zenith Brand; Probenecid acid; Synergid R; Valdecasas Brand of Probenecid; Zenith Brand of Probenecid; Benemid (TN); Benuryl (TN); Col-BENEMID; ColBenemid (co mponent of); ColBenemid (component of); P-[Dipropylsulfamoyl]benzoic acid; Polycillin-BRB; Pro-Cid; Probenecida [INN-Spanish]; Probenecide [INN-French]; Probenecidum [INN-Latin]; P-(Dipropylsulfamoyl)benzoic acid; P-(Dipropylsulfamyl)benzoic acid; Polycillin-PRB (component of); Probenecid [INN:BAN:JAN]; Probenecid (JP15/USP/INN); 4-((Dipropylamino)sulfonyl)benzoic acid;4-(Di-n-propylsulfamoyl)benzoesaeure; 4-(Dipropylsulfamoyl)benzoic acid; 4-(N,N-Dipropylsulfamoyl)benzoesaeure; 4-[(dipropylamino)sulfonyl]benzoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8426	DB01032	DR00232	DR1341	285.36	C13H19NO4S	83.1	374	3.2	19	1	5	7	"1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	DBABZHXKTCFAPX-UHFFFAOYSA-N
DG00405	Sanguinarine	5154	"SANGUINARINE; 2447-54-3; Pseudochelerythrine; Sanguinarin; sangvinarin; Veadent; Sanguiritrin; SANGUINARIUM; Dimethylenedioxy benzphenanthridine; UNII-AV9VK043SS; C20H14NO4; EINECS 219-503-3; Benzophenanthridine alkaloid; BRN 3915507; AV9VK043SS; CHEBI:17183; NCGC00015959-03; CAS-2447-54-3; [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-; DSSTox_RID_80748; DSSTox_CID_25204; DSSTox_GSID_45204; 13-Methyl[1,3]benzodioxolo[5,6-C][1,3]dioxolo[4,5-I]phenanthridin-13-Ium; Sangrovit; y-Chelerythrine; SR-01000075650"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17183	.	DR00919	.	332.3	C20H14NO4+	40.8	530	4.4	25	0	4	0	"1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1"	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6	INVGWHRKADIJHF-UHFFFAOYSA-N
DG00406	Sulfathiazole	5340	"Sulfathiazole; 72-14-0; Sulphathiazole; Sulfathiazol; 2-Sulfanilamidothiazole; Sulfanilamidothiazole; Thiazamide; Norsulfasol; Norsulfazole; 2-Sulfonamidothiazole; 4-Amino-N-(thiazol-2-yl)benzenesulfonamide; 2-(Sulfanilylamino)thiazole; Neostrepsan; Sulfocerol; Thiozamide; Sulzol; 2-Sulfanilamidothiazol; 2-(p-Aminobenzenesulfonamido)thiazole; Azoquimiol; Azoseptale; Norsulfazol; Poliseptil; Sanotiazol; Sulfathiazolum; Sulfatiazol; Thiacoccine; Thiasulfol; Wintrazole; Cerazole; Chemosept; Cibazol; Eleudron; Estafilol; Planomide; Septozol; Duatok; Dulana; N(1)-2-Thiazolylsulfanilamide; Coco-Thiazole; Formosulfathiazole; Streptosilthiazole; Sulfamul; 2-(p-Aminobenzenesulphonamido)thiazole; Usaf sn-9; 4-Amino-N-2-thiazolylbenzenesulfonamide; Cerazol (suspension); Ciba 3714; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide; N1-(2-Thiazolyl)sulfanilamide; Benzenesulfonamide, 4-amino-N-2-thiazolyl-; 4-Amino-N-(1,3-Thiazol-2-Yl)Benzene-1-Sulfonamide; 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide; M&B 760; RP 2090; UNII-Y7FKS2XWQH; 4-Amino-N-thiazol-2-yl-benzenesulfonamide; 2090 R.P.; M+B 760; CHEBI:9337; Sulfanilamide, N1-2-thiazolyl-; Y7FKS2XWQH; Sodium sulfathiazole; CHEMBL437; N'-(2-Thiazolyl)sulfanilamide; N(sup1)-(2-Thiazolyl)sulfanilamide; MFCD00005319; NSC-31812; NSC683531; Sulfanilamide, N(sup1)-2-thiazolyl-; NSC-683531; CAS-72-14-0; NCGC00016309-02; NCGC00016309-06; Norsulfazolum; 4-Amino-N-(2-thiazolyl)benzenesulfonamide; DSSTox_CID_6068; DSSTox_RID_78004; DSSTox_GSID_26068; Solfatiazolo [DCIT]; Caswell No. 809B; Solfatiazolo; Sulfathiazol [INN-French]; Sulfatiazol [INN-Spanish]; N1-2-Thiazolylsulfanilamide; Sulfathiazolum [INN-Latin]; CCRIS 765; 2090 rp; 2-Sulfanilamidothiazol [German]; HSDB 4380; N(sup 1)-2-Thiazolylsulfanilamide; SR-05000001722; Sulfanilamide, N(1)-2-thiazolyl-; EINECS 200-771-5; NSC 31812; EPA Pesticide Chemical Code 077903; NSC 683531; Sulfanilamide, N(sup 1)-2-thiazolyl-; sulfthiazole; Enterobiocine; Sulfavitina; Cerazol; AI3-01050; Sulfathiazole [USP:INN:BAN]; 2-Sulfathiazole; YTZ; Prestwick_430; Sulfathiazole-13C6; Spectrum_001000; Prestwick0_000016; Prestwick1_000016; Prestwick2_000016; Prestwick3_000016; Spectrum2_000841; Spectrum3_001729; Spectrum4_000348; Spectrum5_001441; Sulfathiazole (USP/INN); N-2-Thiazolylsulfanilamide; Epitope ID:122234; Cambridge id 5251400; cid_5340; Oprea1_105970; Oprea1_297844; SCHEMBL94165; Triple sulfa (sulfathiazole); BSPBio_000051; BSPBio_003378; KBioGR_000755; KBioSS_001480; [(4-Aminophenyl)sulfonyl]-1,3-thiazol-2-ylamine; MLS002154174; N-1-2-Thiazolylsulfanilamide; DivK1c_000560; SPECTRUM1500553; Sulfathiazole-d4(benzene-d4); SPBio_000821; SPBio_001972; BPBio1_000057; WLN: T5N CSJ BMSWR DZ; DTXSID8026068; HMS501L22; KBio1_000560; KBio2_001480; KBio2_004048; KBio2_006616; KBio3_002598; N(sup1)-2-Thiazolylsulfanilamide; NINDS_000560; HMS1568C13; HMS1921C07; HMS2092K09; HMS2095C13; HMS2259A13; HMS3652A03; HMS3712C13; Pharmakon1600-01500553; ZINC121458; AMY33440; HY-B0507; NSC31812; SULFATHIAZOLE (TRIPLE SULFA); Tox21_110363; Tox21_202243; Tox21_303238; BDBM50027796; CCG-40296; NSC757331; s3116; STK043870; 2-(4-Aminobenzenesulfonamido)thiazole; AKOS000108630; Tox21_110363_1; DB06147; MCULE-1370710137; NSC-757331; SDCCGMLS-0065585.P001; IDI1_000560; NCGC00016309-01; NCGC00016309-03; NCGC00016309-04; NCGC00016309-05; NCGC00016309-07; NCGC00016309-08; NCGC00016309-09; NCGC00016309-10; NCGC00016309-14; NCGC00091133-01; NCGC00091133-02; NCGC00091133-03; NCGC00091133-04; NCGC00257187-01; NCGC00259792-01; Sulfanilamide, N1-2-thiazolyl- (8CI); AC-12783; DS-17245; K225; NCI60_002730; SMR000017368; Pyridine,2-(chloromethyl)-3,4-dimethoxy-; SBI-0051527.P004; Sulfanilamide, N1-4-thiazolin-2-ylidene-; DB-055610; 4-amino-N-(thiazol-2-yl)-benzenesulfonamide; AB00052102; BB 0245015; FT-0631310; Sulfathiazole 100 microg/mL in Acetonitrile; SW149625-4; 4-[(1,3-Thiazol-2-yl)aminosulfonyl]aniline; Sulfathiazole, analytical standard, >=98.0%; 9610-EP2295053A1; 9610-EP2308872A1; 9610-EP2316829A1; D01047; D70411; AB00052102_14; AB00052102_15; Q408427; Sulfathiazole, VETRANAL(TM), analytical standard; 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide #; Q-201765; SR-05000001722-1; SR-05000001722-3; Sulfathiazole, Antibiotic for Culture Media Use Only; BRD-K14705039-001-05-7; BRD-K14705039-001-08-1; F1443-4816; Sulfathiazole, European Pharmacopoeia (EP) Reference Standard; Sulfathiazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06147	.	.	255.3	C9H9N3O2S2	122	320	0.1	16	2	6	3	"1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)"	C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2	JNMRHUJNCSQMMB-UHFFFAOYSA-N
DG00407	Sulfisomidine	5343	"SULFISOMIDINE; sulfisomidin; Sulfaisodimidine; 515-64-0; Sulphasomidine; Sulfasomidine; 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide; Sulfadimetine; Sulfamethin; Sulfaisodimerazine; Elkosin; Domian; Sulfaisodimidinum; Solfisomidina; Aristamid; Aristogyn; Elcosine; Elkosine; Elkosil; Erycon; Mefenal; 4-Sulfa-2,6-dimethylpyrimidine; 2,4-Dimethyl-6-sulfanilamidopyrimidine; 2,6-Dimethyl-4-sulfanilamidopyrimidine; 4-Sulfanilamido-2,6-dimethylpyrimidine; 6-Sulfanilamido-2,4-dimethylpyrimidine; UNII-W03L3ODK6E; 6-(4-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine; 6-(p-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine; 6-(p-Aminobenzenesulfonyl)amino-2,4-dimethylpyrimidine; CHEBI:32166; Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-; W03L3ODK6E; N(sup 1)-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidin; Sulfaisomidine; N(1)-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidine; Sulfanilamide, N(sup 1)-(2,6-dimethyl-4-pyrimidinyl)-; NCGC00164492-01; Sulfisomidina; Sulfisomidinum; Isosulf; Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-(9CI); DSSTox_CID_26390; DSSTox_RID_81570; DSSTox_GSID_46390; Solfisomidina [DCIT]; Sulfisomidinum [INN-Latin]; Sulfisomidina [INN-Spanish]; CAS-515-64-0; EINECS 208-204-3; BRN 0261305; Aristamide; Elcosin; Domain; AI3-50168; Sulfisomidine [INN:BAN:JAN]; N1-(2,6-Dimethyl-4-pyrimidinyl)sulfanilamide; Sulfisomidine (TN); Sulfisomidine (JAN); 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzene-1-sulfonamide; (p-Aminobenzolsulfonyl)-4-amino-2,6-dimethylpyrimidin [German]; Oprea1_339670; SCHEMBL34791; 5-25-10-00216 (Beilstein Handbook Reference); MLS004773916; CHEMBL485696; DTXSID1046390; YZMCKZRAOLZXAZ-UHFFFAOYSA-; ZINC56658; ALBB-023545; HY-B1784; Tox21_112130; BDBM50548727; MFCD00010567; s5291; STL481971; AKOS000119092; Tox21_112130_1; CCG-267227; CS-7658; DB13283; MCULE-6011761791; SB58524; NCGC00164492-02; NCGC00164492-03; NCGC00186655-01; AS-10637; SMR001346487; AB0126295; DB-051990; FT-0632265; S0362; Sulfisomidine 100 microg/mL in Acetonitrile; A12593; D01526; Sulfisomidin, VETRANAL(TM), analytical standard; SR-01000940235; Q6577315; SR-01000940235-2; F1716-0354; 4-Amino-N-(2,6-dimethylpyrimidin-4-yl) benzenesulfonamide; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide (9CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB13283	.	.	278.33	C12H14N4O2S	106	387	1.2	19	2	6	3	"1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)"	CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N	YZMCKZRAOLZXAZ-UHFFFAOYSA-N
DG00413	Quinolones	6038	AC1MI0KP	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:16365	.	.	.	145.16	C9H7NO	29.1	198	1.3	11	1	1	0	"1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)"	C1=CC=C2C(=C1)C=CC(=O)N2	LISFMEBWQUVKPJ-UHFFFAOYSA-N
DG00414	Methylene blue	6099	"Methylene blue; 61-73-4; Methylthioninium chloride; Swiss Blue; Chromosmon; Methylene Blue N; Methylenium ceruleum; Urolene blue; Methylene Blue chloride; Solvent blue 8; Bleu de methylene; Methylene Blue G; Methylene Blue A; External Blue 1; Methylene Blue D; Methylene Blue B; Methylene Blue anhydrous; CI Basic Blue 9; Methylene Blue ZF; Methylene Blue SP; Methylene Blue NZ; Methylene Blue BX; Methylene Blue BD; Methylene Blue SG; Tetramethylene Blue; Methylene Blue ZX; Methylene Blue FZ; Methylene Blue BP; Calcozine; 3,7-Bis-dimethylamino-phenothiazin-5-ylium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6872	DB09241	.	.	319.9	C16H18ClN3S	43.9	483	.	21	0	4	1	"1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]	CXKWCBBOMKCUKX-UHFFFAOYSA-M
DG00415	Cetrimide	14250	Cetrimonium bromide; 57-09-0; Cetyltrimethylammonium bromide; Hexadecyltrimethylammonium bromide; CTAB; Centimide; CETAB; Bromat; Ctmab; Cee dee; Cetavlon; Hexadecyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Cetyl trimethyl ammonium bromide; Quamonium; Lissolamine; Cetaflon; Lauroseptol; Suticide; Pollacid; Cetarol; Micol; Cetrimide bp; Lissolamine A; Lissolamin V; Cetavlon bromide; Cycloton V; Cirrasol OD; Acetoquat CTAB; Softex KW; Cetrimonii bromidum; N-Cetyltrimethylammonium bromide; Bromuro de cetrimonio; Cetrimida	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:3565	DB01718	.	.	336.4	C17H38BrN	0	158	.	19	0	1	13	"1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]	CXRFDZFCGOPDTD-UHFFFAOYSA-M
DG00416	Homidium bromide	14710	"ETHIDIUM BROMIDE; Homidium bromide; 1239-45-8; Dromilac; EtBr; 3,8-Diamino-5-ethyl-6-phenylphenanthridinium bromide; Ethydium bromide; 3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide; 2,7-Diamino-10-ethyl-9-phenylphenanthridinium bromide; 2,7-Diamino-9-phenyl-10-ethylphenanthridinium bromide; UNII-059NUO2Z1L; MFCD00011724; 2,7-Diamino-9-phenylphenanthridine ethobromide; Ethidium bromide solution; MLS002702536; 059NUO2Z1L; CHEBI:4883; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide (1:1); NSC268986; NSC-268986; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide; NCGC00091387-01; NCGC00095070-01; DSSTox_CID_5258; DSSTox_RID_77719; DSSTox_GSID_25258; Homidii bromidum; CHEMBL284328; Bromure d'homidium; Bromuro de homidio; Homidium bromide [INN:BAN]; CAS-1239-45-8; Homidii bromidum [INN-Latin]; CCRIS 1017; 3,8-Diamino-1-ethyl-6-phenylphenantridinium bromide; HSDB 7297; Bromure d'homidium [INN-French]; Bromuro de homidio [INN-Spanish]; EINECS 214-984-6; 2,7-Diamino-9-Phenyl-10-Ethylphenanthridiniumbromide; NSC 268986; RD 1572; AI3-62997; Ethidium (bromide); Ethidium bromide, 98%; SCHEMBL20520; SPECTRUM1503806; Ethidium bromide, >=95.0%; SCHEMBL1505620; DTXSID8025258; HMS502O22; HMS1922I08; HMS3868D03; Pharmakon1600-01503806; Ethidium bromide, ~95% (HPLC); Ethidium bromide solution, 10mg/ml; HY-D0021; Tox21_111123; Tox21_111410; Tox21_202511; CCG-39365; NSC758630; Ethidium bromide solution 1% in H2O; Ethidium bromide solution, 10 mg/mL; AKOS015904050; Tox21_111410_1; AM84361; Ethidium bromide, electrophoresis grade; MCULE-8684380812; NSC-758630; Ethidium bromide solution, 0.625mg/ml; Ethidium bromide, for biochemistry, 98%; NCGC00091387-08; NCGC00095070-02; NCGC00260060-01; AS-79030; SMR001566146; DB-062201; E0370; FT-0614786; E-4000; F16485; Ethidium bromide, Vetec(TM) reagent grade, 95%; SR-01000872761; SR-01000872761-1; Ethidium bromide, for fluorescence, >=95.0% (HPLC); Phenanthridinium,8-diamino-5-ethyl-6-phenyl-, bromide; Ethidium bromide solution, for fluorescence, ~1% in H2O; WLN: T B666 HKJ EJ H2 IR& LZ &E &9/26; Ethidium bromide, ~10 mg/tablet ethidium bromide, tablet; Ethidium bromide, BioReagent, for molecular biology, powder; J Mol Biol 13: 269 (1965); 27: 87 (1967); Ethidium bromide solution, BioReagent, for molecular biology, 10 mg/mL in H2O; Ethidium bromide solution, BioReagent, for molecular biology, 500 mug/mL in H2O"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR01442	.	394.3	C21H20BrN3	55.9	419	.	25	2	3	2	"1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H"	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]	ZMMJGEGLRURXTF-UHFFFAOYSA-N
DG00417	Benzalkonium bromide	23705	"Benzyldodecyldimethylammonium bromide; 7281-04-1; Benzalkonium bromide; Benzododecinium bromide; Sterinol; N-Benzyl-N,N-dimethyldodecan-1-aminium bromide; Bacfor BL; Benzyldimethyldodecylammonium bromide; Sinnoquat BL 95; 8043-47-8; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide; benzyl-dodecyl-dimethylazanium;bromide; Dodecyl dimethyl benzyl ammonium bromide; N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide; Dimethyl laurylbenzene ammonium bromide; UNII-IRY12B2TQ6; IRY12B2TQ6; Ajatin; MFCD00011768; DSSTox_CID_28624; DSSTox_RID_82894; DSSTox_GSID_48698; Lauralkonium bromide; Sinnoquat BL 80; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1); CAS-7281-04-1; Ammonyl BR 1244; Benzododecinium bromatum; Caswell No. 416B; NCGC00164245-02; EINECS 230-698-4; EPA Pesticide Chemical Code 069123; Ammonium, benzyldodecyldimethyl-, bromide; Bromek dwumetylolaurylobenzyloamoniowy [Polish]; Benzalkonium bromide (C12); SCHEMBL119589; CHEMBL2355417; DTXSID4048698; CHEBI:167207; dimethyldodecylbenzylammonium bromide; Tox21_113091; benzyl-dodecyldimethylammonium bromide; Bromek dwumetylolaurylobenzyloamoniowy; AKOS015891185; Tox21_113091_1; NCGC00164245-03; BS-44064; I017; DB-056433; B3748; BENZYL(DODECYL)DIMETHYLAZANIUM BROMIDE; FT-0733931; D87631; N-Benzyl-N,N-dimethyldodecan-1-amonium bromide; N-Benzyl-N,N-dimethyldodecan-1-ammonium bromide; Q-200699; Q4890794; Benzalkonium bromide Dimethyl benzyl lauryl ammonium bromide; UNII-151T1GQ42D component KHSLHYAUZSPBIU-UHFFFAOYSA-M"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11105	.	.	384.4	C21H38BrN	0	240	.	23	0	1	13	"1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]	KHSLHYAUZSPBIU-UHFFFAOYSA-M
DG00418	Iodine-131	24855	"IODINE-131; Iodine 131; UNII-I5X6L61HUT; I5X6L61HUT; 10043-66-0; I-131; Iodine I 131; Radioactive iodine-I131; Radioactive iodine (131I); Iodine, mol. (131I2); Iodine, isotope of mass 131; Iodine, labeled with iodine-131; I 131; 15124-39-7"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	261.81	I2	0	0	1.7	2	0	0	0	"1S/I2/c1-2/i1+4,2+4"	[131I][131I]	PNDPGZBMCMUPRI-HVTJNCQCSA-N
DG00419	Cephalexin	27447	"Adcadina; Ades[prex; Alcephin; Alexin; Alsporin; Ambal; Aristosporin; Azabort; Bactopenor; Beliam; Biocef; CEX; Carnosporin; Cefablan; Cefacet; Cefadal; Cefadin; Cefadina; Cefalekey; Cefaleksin; Cefalessina; Cefalexgobens; Cefalexin; Cefalexina; Cefalexine; Cefalexinum; Cefalin; Cefalival; Cefaloto; Cefaseptin; Cefax; Ceffanex; Cefibacter; Ceflax; Ceforal; Cefovit; Celexin; Cepastar; Cepexin; Cephacillin; Cephalexine; Cephalexinum; Cephalobene; Cephanasten; Cephaxin; Cephin; Cepol; Ceporex; Ceporexin; Ceporexine; Check; Cophalexin; Domucef; Doriman; Durantel; Efemida; Erocetin; Factagard; Felexin; Fexin; Ibilex; Ibrexin; Inphalex; Karilexina; Kefalospes; Keflet; Keflex; Kefolan; Keforal; Keftab; Kekrinal; Kidolex; Lafarine; Larixin; Lenocef; Lexibiotico; Loisine; Lonflex; Lopilexin; Losporal; Madlexin; Maksipor; Mamalexin; Mamlexin; Medolexin; Medoxine; Neokef; Neolexina; Noveol; Novolexin; Nufex; Oracef; Oriphex; Oroxin; Ortisporina; Ospexin; Palitrex; Pectril; Prindex; Pyassan; Rilexine; Roceph; Rogevil; Sanaxin; Sartosona; Sencephalin; Sepexin; Servicef; Servispor; Sialexin; Sinthecillin; Sintolexyn; Sporicef; Sporidex; Syncl; Syncle; Synecl; Tepaxin; Theratrex; Tokiolexin; Uphalexin; Viosporine; Voxxim; Winlex; Zabytrex; Zozarine; Cefalessina [DCIT]; Cefalexin Scand Pharm; Cefalexin Sodium; Cefalexin generics; Cefalexin hydrate; Cefalexin monohydrate; Cefalexina Northia; Cefalexina Richet; Cephalex von ct; Cephalexin hydrate; Cephalexin monohydrate; Ceporex Forte; Durantel DS; Henina Oral; Panixine Disperdose; Roceph Distab; Lilly 66873; S 6437; SQ 20248; Cefa-iskia; Cefalexin (JP15); Cefalexin.H2O; Cefalexina [INN-Spanish]; Cefalexine [INN-French]; Cefalexinum [INN-Latin]; Cephalexin(USP); Cephalexin (anhydrous); Cephalexin 1-hydrate; Cephalexin 1-wasser; Cephalexin [USAN:BAN]; Cephalexin.H2O; Ceporexin-E; Cusisporina-Cefalox; Ed A-Ceph; KS-1134; Keflex (TN); Keftab (TN); L-Keflex; Panixine disperdose (TN); Sporidex (TN); Cephalexin, (6R-(6alpha,7beta))-Isomer; 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta (sup 3)-cephem-4-carboxylic acid; 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta3-cephem-4-carboxylic acid; 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3534	DB00567	DR00330	DR0284	347.4	C16H17N3O4S	138	600	0.6	24	3	6	4	"1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O	ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
DG00421	Cefradine	38103	"Anspor; Cefradin; Cefradina; Cefradinum; Cephradin; Cephradine; Eskacef; Sefril; Velosef; CEPHRADINE SODIUM; SKF D 39304; SQ 11436; VELOSEF 125; VELOSEF 250; VELOSEF 500; Anspor (TN); Cefradina [INN-Spanish]; Cefradinum [INN-Latin]; Cephradine (USP); Cephradine (anhydrous); Cephradine [USAN:BAN]; SQ-11436; SQ-22022; Velosef (TN); Cefradine (JAN/INN); SK&F D-39304; SK-D-39304; (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-caboxylic acid; 7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid; 7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3547	DB01333	DR00544	.	349.4	C16H19N3O4S	138	697	0.4	24	3	6	4	"1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1"	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O	RDLPVSKMFDYCOR-UEKVPHQBSA-N
DG00422	Exemestane	60198	"Aromasil; Aromasin; Aromasine; EXE; Exemestance; Exemestano; Exemestanum; Nikidess; Pfizer brand of exemestane; Curator_000009; Fce 24304; Aromasin (TN); Aromasin, Exemestane; Exemestano [INN-Spanish]; Exemestanum [INN-Latin]; FCE-24304; PNU-155971; Exemestane [USAN:INN:BAN]; Exemestane (JAN/USP/INN); (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione; 6-Methylenandrosta-1,4-diene-3,17-dione; 6-Methyleneandrosta-1,4-diene-3,17-dione; 6-methylideneandrosta-1,4-diene-3,17-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4953	DB00990	.	DR0675	296.4	C20H24O2	34.1	653	3.1	22	0	2	0	"1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	BFYIZQONLCFLEV-DAELLWKTSA-N
DG00424	Pentisomicin	65453	"Pentisomicin; 5-Episisomicin; Sch 22591; UNII-L5BS6WSR0E; 55870-64-9; L5BS6WSR0E; SCH-22591; Mutamicin 6; Mutamycin 6; 5-epi-Sisomicin; (2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; Pentisomicina; Pentisomicine; Pentisomicinum; Pentisomicin [USAN:INN]; Pentisomicine [INN-French]; Pentisomicinum [INN-Latin]; Pentisomicina [INN-Spanish]; Pentisomicin (USAN/INN); O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-D-myo-inositol; SCHEMBL380284; CHEMBL2105403; DTXSID7046887; D-myo-Inositol, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1->3))-4,6-diamino-4,5,6-trideoxy-; D-myo-Inositol, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-3))-4,6-diamino-4,5,6-trideoxy-; O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-1)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-3))-4,6-diamino-4,5,6-trideoxy-D-myo-inositol; D05425; Q27282733"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	447.5	C19H37N5O7	214	643	-5.1	31	8	12	6	"1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19+/m1/s1"	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	URWAJWIAIPFPJE-VHLNBGGKSA-N
DG00425	Cephalosporin C	65536	"Cephalosporin C; 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid; 61-24-5; UNII-3XIY7HJT5L; CHEBI:15776; EINECS 200-501-6; 3XIY7HJT5L; BRN 0065348; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-amino-5-carboxy-1-oxopentyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-; (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15776	DB03313	.	.	415.4	C16H21N3O8S	202	737	-4.4	28	4	10	10	"1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O	HOKIDJSKDBPKTQ-GLXFQSAKSA-N
DG00426	Enrofloxacin	71188	"Enrofloxacin; 93106-60-6; Baytril; Enrofloxacine; CFPQ; Enrofloxacino; Enrofloxacinum; BAY VP 2674; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Enroxil; UNII-3DX3XEK1BN; Baytril (TN); N-Ethylciprofloxacin; ERFX; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; C19H22FN3O3; MFCD00792463; 3DX3XEK1BN; 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-; MLS000069441; CHEBI:35720; NSC-758616; BAY Vp 2674;PD160788; endrofloxicin; NCGC00018143-04; CPD000059011; PD160788; SMR000059011; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid; DSSTox_CID_25619; DSSTox_RID_81007; DSSTox_GSID_45619; 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-; Enrofloxacine [French]; Enrofloxacinum [Latin]; Enrofloxacino [Spanish]; Bay-Vp-2674; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid; CAS-93106-60-6; Enrofloxacin [USAN:BAN:INN]; HSDB 6952; BRN 5307824; CCRIS 8214; Enrofloxacin [USAN:USP:INN:BAN]; Enrofloxacin-[d5]; Opera_ID_1106; Enrofloxacin (USP/INN); Enrofloxacin (USAN/INN); 1,4-Dihydro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid; BAY-Vp2674; MLS001076496; MLS001424169; CHEMBL15511; SCHEMBL149150; SPECTRUM1503721; Enrofloxacin for veterinary use; DTXSID1045619; HMS2052O09; HMS2090E12; HMS2093I21; HMS2234M11; HMS3373P14; HMS3394O09; HMS3715B18; Pharmakon1600-01503721; ZINC597112; ALBB-030792; BCP15457; HY-B0502; Enrofloxacin, >=98.0% (HPLC); Tox21_110831; BBL009982; DL-384; HTS028366; NSC758616; s3059; STK711109; AKOS005530685; BAY-Vp2674;PD160788; Tox21_110831_1; AC-7614; CCG-101102; DB11404; KS-5010; MCULE-6446074322; NC00352; NSC 758616; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 1-cyclopropyl-7-(4-ethylpiperazinyl)-6-fluoro-4-oxohydroquinoline-3-carboxylic acid; NCGC00018143-01; NCGC00018143-02; NCGC00018143-03; NCGC00018143-05; NCGC00021632-03; H734; SBI-0206725.P001; AB0013220; DB-057368; B1742; E0786; FT-0625663; FT-0667862; D02473; AB00384269-16; AB00384269_17; AB00384269_18; Enrofloxacin, VETRANAL(TM), analytical standard; 106E606; A844445; Q414413; SR-01000000045; SR-01000000045-3; BRD-K76534306-001-11-0; Enrofloxacin, European Pharmacopoeia (EP) Reference Standard; Enrofloxacin, United States Pharmacopeia (USP) Reference Standard; 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid; Enrofloxacin for system suitability, European Pharmacopoeia (EP) Reference Standard; Enrofloxacin, Pharmaceutical Secondary Standard; Certified Reference Material; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-ethyl-1-piperazinyl)-3-quinoline-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-ethyl-1-piperazinyl)-3-quinolinecarboxylic acid; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid; 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 9CI; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11404	DR01565	.	359.4	C19H22FN3O3	64.099	613	-0.2	26	1	7	4	"1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)"	CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F	SPFYMRJSYKOXGV-UHFFFAOYSA-N
DG00427	PD131628	72448	"127967-03-7; PD 131628; UNII-YS492L6CHP; YS492L6CHP; 1,8-Naphthyridine-3-carboxylic acid, 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; (S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; (S)-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1,8-Naphthyridine-3-carboxylic acid, 7-((3S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; 7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; CI-990 (Hydrochloride); CHEMBL51678; PD131628 (Hydrochloride); SCHEMBL9838735; DTXSID9074486; PD131628; PD131628-0002B; 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (S)-; 1-Cyclopropyl-6-fluoro-7-[3beta-amino-1-pyrrolidinyl]-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	332.33	C16H17FN4O3	99.8	594	-0.1	24	2	8	3	"1S/C16H17FN4O3/c17-12-5-10-13(22)11(16(23)24)7-21(9-1-2-9)14(10)19-15(12)20-4-3-8(18)6-20/h5,7-9H,1-4,6,18H2,(H,23,24)/t8-/m0/s1"	C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F	MUKSDTOOLRNSIO-QMMMGPOBSA-N
DG00429	Lestaurtinib	126565	A 1544750; CEP 701; KT 5555; KT5555; SP 924; CEP-701; KT-5555; SPM-924; Lestaurtinib (USAN/INN)	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91471	DB06469	.	.	439.5	C26H21N3O4	88.6	886	2.2	33	3	4	1	"1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1"	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O	UIARLYUEJFELEN-LROUJFHJSA-N
DG00430	Tetraphenylphosphonium chloride	164911	"Tetraphenylphosphonium chloride; 2001-45-8; Phosphonium, tetraphenyl-, chloride; tetraphenylphosphanium;chloride; MFCD00011916; tetraphenylphophonium chloride; EINECS 217-890-3; Ph4PCl; Tetraphenylphosphonium chloride, 98%; tetraphenylchlorophosphine; Phosphonium, tetraphenyl-, chloride (1:1); C24H20ClP; Tetraphenylphosphoniumchloride; tetraphenylphosphanium,chloride; SCHEMBL126056; CHEMBL223885; DTXSID00897533; AKOS015833164; TETRAPHENYL-PHOSPHONIUM-CHLORIDE; AS-15199; O459; SY032650; DB-045062; CS-0097966; FT-0633970; T1375; F15456; A855066; Q7706653; W-107657; Tetraphenylphosphonium chloride, for the spectrophotometric det. of Bi, Co, >=97.0%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	374.8	C24H20ClP	0	301	.	26	0	1	4	"1S/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	WAGFXJQAIZNSEQ-UHFFFAOYSA-M
DG00432	Aminodeoxykanamycin	439318	"Aminodeoxykanamycin; bekanamycin; Kanamycin B; nebramycin factor 5; Bekanamycine; Bekanamycinum; Becanamicina; Bekanamycinum [INN-Latin]; Bekanamycine [INN-French]; Becanamicina [INN-Spanish]; EINECS 225-170-5; BRN 0061646; Aminodeoxykanamycin sulfate; 4696-76-8; Antibiotic derived from Streptomyces kanamyceticus; AC1L2FQA; AC1Q57UP; Antibiotic derived from Streptomyces kanamyceticus. Kanamycin B; (1r,2s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-; A-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28098	DB13673	.	.	483.5	C18H37N5O10	288	639	-7.2	33	11	15	6	"1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1"	C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	SKKLOUVUUNMCJE-FQSMHNGLSA-N
DG00433	Acriflavine	443101	"Acriflavine; Xanthacridinum; Euflavine; Pantonsiletten; Flavinetten; Assiflavine; Choliflavin; Bialflavina; Vetaflavin; Buroflavin; Tolivalin; Isravin; Diacrid; Zoriflavin; Trachosept; Gonacin; Flavisept; Flavioform; Bovoflavin; Mediflavin; Bioacridin; Angiflan; Tripla-etilo; Glyco-flavine; Acriflavine neutral; Acriflavine [NF]; Caswell No. 008; Euflavin; Flavacridinum hydrochloricum; Trypaflavine Neutral; CCRIS 5617; UNII-1T3A50395T; EPA Pesticide Chemical Code 000501; Acridinium, 3,6-diamino-10-methyl-, chloride, mixt. with 3,6-acridined"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13373	.	.	469	C27H25ClN6	121	486	.	34	4	6	0	"1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]	PEJLNXHANOHNSU-UHFFFAOYSA-N
DG00434	Decitabine	451668	"AzadC; Dacogen; Dezocitidine; NCGC_5ADOC; Dacogen (TN); E-7373; Decitabine (USAN/INN); Dacogen, 5-aza-2'-deoxycytidine,NSC 127716, Dacogen, DAC, Decitabine; 2'-Deoxy-5-azacytidine; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one; 4-Amino-1-(2-deoxy-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; 5-AZAdC; 5-Aza-2′-Deoxycytidine; 5-Aza-2'-deoxycytidine; 5-Azadeoxycytidine; 5-Deoxy-2′-azacytidine; 5-aza-2-deoxycytidine; 5-aza-CdR; 5-aza-dC; 5A2dc"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50131	DB01262	.	DR1763	228.21	C8H12N4O4	121	356	-1.2	16	3	4	2	"1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O	XAUDJQYHKZQPEU-KVQBGUIXSA-N
DG00435	Pyrimethamine/Atovaquone	456850	"Atovaquone & Pyrimethamine; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	615.5	C34H32Cl2N4O3	132	837	.	43	3	7	4	"1S/C22H19ClO3.C12H13ClN4/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h1-4,9-13,15,24H,5-8H2;3-6H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	BXDNHABGOUHQGH-UHFFFAOYSA-N
DG00436	IFN-alpha	826634	"IFN alpha-IFNAR-IN-1; 844882-93-5; IFN-alpha; CHEMBL1617534; DNDI1417107; N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine; Methyl-[2-(naphthalen-1-ylsulfanyl)-benzyl]-amine; IFNAR-IN-1; ZINC346644; BDBM50014088; AKOS005066179; HY-12836; N-Methyl-2-(1-naphthylthio)benzenemethaneamine; A915034; N-methyl-1-(2-(naphthalen-1-ylthio)phenyl)methanamine; BENZENEMETHANAMINE,N-METHYL-2-(1-NAPHTHALENYLTHIO)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	279.4	C18H17NS	37.3	293	4.6	20	1	2	4	"1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3"	CNCC1=CC=CC=C1SC2=CC=CC3=CC=CC=C32	OHDXDNUPVVYWOV-UHFFFAOYSA-N
DG00437	Tetraphenylphosphonium bromide	2724163	"Tetraphenylphosphonium bromide; 2751-90-8; Phosphonium, tetraphenyl-, bromide; Phosphonium, tetraphenyl-, bromide (1:1); tetraphenylphosphanium;bromide; MFCD00011915; Tetraphenylphosponium bromide; Tetraphenylphosphoniumbromide; tetraphenylphosphanium,bromide; EINECS 220-393-4; Ph4PBr; Bromotetraphenylphosphorane; C24H20BrP; Tetraphenylphosphorus bromide; SCHEMBL42616; CHEMBL456063; DTXSID30883722; BCP24497; Tetraphenylphosphonium bromide, 97%; NSC115672; TETRAPHENYL-PHOSPHONIUM-BROMIDE; AKOS015833052; AKOS025117489; CS-W013858; NSC 115672; NSC-115672; AS-12560; DB-047239; FT-0634467; T1069; A819099; W-107108; Tetraphenylphosphonium bromide, Vetec(TM) reagent grade, 97%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	419.3	C24H20BrP	0	301	.	26	0	1	4	"1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	BRKFQVAOMSWFDU-UHFFFAOYSA-M
DG00438	Toremifene	3005573	"Acapodene; Estrimex; Farestone; Toremifeno; Toremifenum; Toremifene Base; Toremifeno [Spanish]; Toremifenum [Latin]; GTx 006; Acapodene (TN); FC-1157a; Fareston (TN); GTx-006; Toremifene (INN); Toremifene [INN:BAN]; Z-Toremifene; GTX-006 (Acapodene); Toremifene Citrate (1:1); {2-[4-(4-Chloro-1,2-diphenyl-but-1-enyl)-phenoxy]-ethyl}-dimethyl-amine; (Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; 2-(p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]-phenoxy)-N,N-dimethyl-ethylamine citrate(1:1); 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC); 2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine; 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9635	DB00539	DR01170	.	406	C26H28ClNO	12.5	483	7.2	29	0	2	9	"1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-"	CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\\C2=CC=CC=C2)/C3=CC=CC=C3	XFCLJVABOIYOMF-QPLCGJKRSA-N
DG00439	Thiopurine	3015569	"2-Mercaptopurine; 2-Thiopurine; 28128-19-0; 5-Mercaptopurine; Purine-2-thiol; 3,7-dihydropurine-2-thione; Thiopurine; UNII-81XK02929C; 81XK02929C; 2-Purinethiol; 7H-purine-2-thiol; 1,3-Dihydro-2H-purine-2-thione; 2-MP; 3,7-dihydro-2H-purine-2-thione; EINECS 248-855-0; NSC 23720; 2H-Purine-2-thione, 1,3-dihydro-; SCHEMBL3896; DTXSID60878767; NSC23720; MFCD00047145; NSC-23720; ZINC12955987; AKOS006275100; 2-Mercaptopurine, >=95%, crystalline; 2H-Purine-2-thione, 1,3-dihydro- (9CI); FT-0694524; W-202176; Q27269279"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	152.18	C5H4N4S	85.2	190	0.1	10	2	2	0	"1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)"	C1=NC(=S)NC2=C1NC=N2	HDBQZGJWHMCXIL-UHFFFAOYSA-N
DG00440	Sulfonamides	3085933	"Sulfonamides, C12-18-alkane; (C12-18) Alkane sulfonamides; 73138-90-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	249.42	C12H27NO2S	68.5	165	5.5	16	2	4	12	"1S/C12H27NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(14)15/h13H,2-12H2,1H3,(H,14,15)"	CCCCCCCCCCCCNS(=O)O	DVMOOMUBCZHSBG-UHFFFAOYSA-N
DG00441	Sodium lauryl sulfate	3423265	Anticerumen; Dreft; Dupanal; Duponal; Duponol; Gardinol; Irium; NALS; Natriumlaurylsulfat; Neutrazyme; SDS; SLS; Syntapon; WAQE; Akyposal SDS; Aquarex ME; Aquarex methyl; Carsonol SLS; Carsonol SLS Paste B; Carsonol SLS Special; Conco Sulfate WAG; Conco Sulfate WAN; Conco Sulfate WAS; Conco sulfate WA; Conco sulfate WN; DODECYL SULFATE; Dupanol WAQ; Duponal WAQE; Duponol C; Duponol Me; Duponol QC; Duponol WA; Duponol WA dry; Duponol WAQ; Duponol WAQE; Duponol WAQM; Duponol methyl; Duponol qx; Duponol waqa; EMAL O; Empicol LPZ; Hexamol SLS; Incronol SLS; Laurylsiran sodny; Lauyl sodium sulfate; Maprobix NEU; Maprofix LK; Maprofix NEU; Maprofix WAC; Melanol CL; Montopol La Paste; Nikkol SLS; Orvus WA Paste; Perlandrol L; Perlankrol L; Richonol A; Richonol C; Richonol af; SDS Running Buffer; Sintapon L; Sipex OP; Sipex SP; Sipex UB; Sipex sb; Sipex sd; Sipon LS; Sipon LSB; Sipon PD; Sipon WD; Sodium Laurylsulfate; Solsol needles; Standapol WAQ; Stepanol ME; Stepanol ME Dry AW; Stepanol WA; Stepanol WA Paste; Stepanol me dry; Stepanol methyl; Stepanol wac; Stepanol waq; Sterling wa paste; Sulfotex wa; Texapon DL; Trepenol WA; Avirol 101; Avirol 118; Avirol 118 conc; Berol 452; CP 75424; Cycloryl 21; Cycloryl 31; Cycloryl 580; Cycloryl 585N; Detergent 66; Emal 10; Emersal 6400; Empicol LS 30; Empicol LX 28; Finasol osr2; MP SILICA RP 18; Maprofix 563; Melanol CL 30; Monagen Y 100; Monogen Y 100; Odoripon Al 95; Perklankrol ESD 60; Rewopol NLS 30; Sinnopon LS 100; Sinnopon LS 95; Sipon LS 100; Standapol 112; Standapol 112 conc; Standapol was 100; Steinapol NLS 90; Stepanol T 28; Sulfetal L 95; Sulfopon wa 1; Swascol 3L; Tarapon K 12; Tvm 474; Emulsifier no. 104; Finasol osr(sub 2); IPC-SDS;Jordanol SL-300; Lanette Wax-S; Maprofix WAC-LA; Product no. 161; Product no. 75; Quolac EX-UB; S-4600; Standapol wa-ac; Stepanol WA-100; Sterling WAQ-CH; Ultra sulfate sl-1	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8984	DB00815	.	.	288.38	C12H25NaO4S	74.8	249	.	18	0	4	12	"1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1"	CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]	DBMJMQXJHONAFJ-UHFFFAOYSA-M
DG00442	Tilmicosin	5282521	"Tilmicosin; 108050-54-0; Micotil 300; UNII-XL4103X2E3; EL-870; EL870; XL4103X2E3; Ly177370; LY-177370; Tilmicosina; Tilmicosine; Tilmicosinum; Tilmicosine [INN-French]; Tilmicosinum [INN-Latin]; Tilmicosina [INN-Spanish]; C46H80N2O13; HSDB 7446; NSC-759584; Tilmicosin [USAN:USP:INN:BAN]; NCGC00096003-01; (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hy; droxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; LY-177370;EL-870; Micotil (TN); Tilmicosin (USP/INN); DSSTox_CID_26011; DSSTox_RID_81287; DSSTox_GSID_46011; 4(sup A)-O-de(2,6-Dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(cis-3,5-dimethylpiperidino)tylosin; SCHEMBL149192; CHEMBL1908333; DTXSID5046011; ACT06683; HY-B0905; Tox21_111546; s4122; ZINC238809114; ZINC245204941; CCG-270545; DB11471; NSC 759584; NCGC00348375-01; NCGC00348375-02; Tilmicosin 100 microg/mL in Acetonitrile; Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-, 20(cis)-; Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-; CAS-108050-54-0; D02492; AB01566912_01; 050T540; Q722387; Tilmicosine, Antibiotic for Culture Media Use Only; Q-100992; 20-Deoxo-20-(3,5-dimethyl-1-piperidinyl)desmycosin; Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-((3R,5S)-3,5-dimethyl-1-piperidinyl)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11471	.	.	869.1	C46H80N2O13	186	1420	3.6	61	4	15	12	"1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1"	CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	JTSDBFGMPLKDCD-XVFHVFLVSA-N
DG00443	Carbomycin	5287879	"Carbomycin A; CARBOMYCIN; Magnamycin; Magnamycin A; UNII-AIK0XUF3AV; Deltamycin A4; AIK0XUF3AV; Carbomycin acetate; M-4209; 4564-87-8; Carbomicina; Carbomycine; Carbomycinum; GS MAI 5201 52 3; GS-MAI 5201-52-3; (2S,3S,4R,6S)-6-(((2R,3S,4R,5R,6S)-6-(((1S,3R,7R,8S,9S,10R,12R,16S,E)-7-acetoxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl)oxy)-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate; Carbomycin [INN]; Magnamycin (VAN); NSC 51001; Carbomycine [INN-French]; Carbomycinum [INN-Latin]; Carbomicina [INN-Spanish]; Carbomycin A (8CI); AI3-50160; CHEMBL1231649; Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate; DB11383; [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate; Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-; UNII-3952621T3O component FQVHOULQCKDUCY-OGHXVOSASA-N; (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(1S,3R,7R,8S,9S,10R,12R,14E,16S)-7-(acetyloxy)-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 3-methylbutanoate (non-preferred name); An antibiotic obtained from cultures of Streptomyces halstedii, or the same substance produced by any other means"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11383	.	.	842	C42H67NO16	215	1470	1.8	59	2	17	14	"1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	FQVHOULQCKDUCY-OGHXVOSASA-N
DG00444	Colistin	5311054	"Colistin sulphate; Polymyxin E; Colistin sulfate, nonsterile; Polymyxin E. Sulfate; Coly-Mycin M Parenteral (TN)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00803	.	DR2644	1155.4	C52H98N16O13	491	2050	-3.3	81	18	18	28	"1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29 ,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1"	CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O	YKQOSKADJPQZHB-QNPLFGSASA-N
DG00445	Furazolidone	5323714	"Bifuron; Corizium; Coryzium; Diafuron; Enterotoxon; Furall; Furaxon; Furaxone; Furazol; Furazolidine; Furazolidon; Furazolidona; Furazolidonum; Furazolum; Furazon; Furidon; Furovag; Furox; Furoxal; Furoxane; Furoxon; Furoxone; Furozolidine; Giardil; Giarlam; Medaron; Neftin; Nicolen; Nifulidone; Nifuran; Nifurazolidone; Nifurazolidonum; Nitrofurazolidone; Nitrofurazolidonum; Nitrofuroxon; Optazol; Ortazol; Puradin; Roptazol; Sclaventerol; Tikofuran; Topazone; Trichofuron; Tricofuron; Tricoron; Trifurox; Viofuragyn; Fiurox aerosol powder; Furoxone Liquid; Furoxone Swine Mix; NF 180 custom mix ten; F-8900; Furazolidona [INN-Spanish]; Furazolidone [INN:BAN]; Furazolidonum [INN-Latin]; Furox Aerosol Powder (Veterinary); Furoxone (TN); NF-180; Usaf ea-1; Dependal-M (TN); Furazolidone (USP/INN); N-(5-Nitro-2-furfurylidene)-3-amino-2-oxazolidone; N-(5-Nitro-2-furfurylidene)-3-aminooxazolidine-2-one; 3-(((5-Nitro-2-furanyl)methylene)amino)-2-oxazolidinone; 3-((5-Nitrofurfurylidene)amino)-2-oxazolidinone; 3-((5-Nitrofurfurylidene)amino)-2-oxazolidone; 3-((5-Nitrofurylidene)amino)-2-oxazolidone; 3-(5'-Nitrofurfuralamino)-2-oxazolidone; 3-(5-Nitrofurfurylideneamino)-2-oxazolidinone; 3-[(5-Nitrofurfurylidene)amino]-2-oxazolidinone; 3-[(5-Nitrofurfurylidene)amino]-2-oxazolidone; 3-[(5-Nitrofurylidene)amino]-2-oxazolidone; 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one; 3-[[(5-Nitro-2-furanyl)methylene]amino]-2-oxazolidinone; 3-{[(5-Nitro-2-furanyl)methylene]amino}-2-oxazolidinone; 3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazolidin-2-one; 3-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one; 5-Nitro-N-(2-oxo-3-oxazolidinyl)-2-furanmethanimine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5195	DB00614	.	.	225.16	C8H7N3O5	101	326	-0.1	16	0	6	2	"1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+"	C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]	PLHJDBGFXBMTGZ-WEVVVXLNSA-N
DG00447	Cefpirome	5479539	"CEFPIROME; 84957-29-9; Cefpiroma; Cefpiromum; Cefrom; HR 810; UNII-S72Q2F09HY; cefpirome sulfate; CHEBI:3503; S72Q2F09HY; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; cefpirome sulphate; HR-810; (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 5H-Cyclopenta[b]pyridinium,1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-6,7-dihydro-, inner salt; Cefpiromum [Latin]; Cefpiroma [Spanish]; Cefpirome [INN:BAN]; NCGC00181339-01; Broact; Keiten; Cefir; Cefpirome (INN); Cefir (TN); HR-810 FREE BASE; SCHEMBL49406; MLS006010792; CHEMBL65794; DTXSID2048244; SCHEMBL22207951; C22H22N6O5S2; AKOS016013926; DB13682; (6R,7R)-7-(()-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-8-oxo-3-(2beta-trimethylenpyridinio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat; 1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-5H-1-pyridinium hydroxide, inner salt; 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-6,7-dihydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-; H828; SMR004701476; 98753-19-6; D07649; 1-{[(6R,7R)-2-carboxylato-7-{[(2Z)-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium; 5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5,6,7,8-tetrahydro-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-; 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13682	.	DR2656	514.6	C22H22N6O5S2	208	955	0.9	35	2	10	6	"1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1"	CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-]	DKOQGJHPHLTOJR-WHRDSVKCSA-N
DG00448	Amoxicillin/Clavulanic acid	6435924	"Amoxicillin + clavulanic acid; Amoxicillin and clavulanic acid; 79198-29-1; Amoxicillin + clavulinic acid; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Amoksiclav; Amoxyclav; Synulox; Amox-clav; Amoxicillin clavulanate; Augmentin (free acid); Amoxicillin & Clavulanate; Amoxicillin clavulanate acid; Amoxicillin & Clavulanic acid; SCHEMBL591660; CHEMBL2097107; Amoxicillin-clavulanic acid mixt.; DTXSID80872429; Amoxicillin mixture with Clavulanate; Clavulanate mixture with amoxicillin; Clavulanic acid - amoxicillin mixt.; NCGC00188989-01; (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-, mixt. with (2S,5R,6R)-6-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2alpha,3Z,5alpha))-, mixt. with (2S-(2alpha,5alpha,6beta(S*))-6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	564.6	C24H28N4O10S	245	914	.	39	6	12	6	"1S/C16H19N3O5S.C8H9NO5/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t9-,10-,11+,14-;6-,7-/m11/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	QJVHTELASVOWBE-AGNWQMPPSA-N
DG00449	Angolamycin	6438267	"Angolamycin; 1402-83-1; 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; BRN 6045489; Angolamycin, BRN 6045489; 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde; 2-[(2E)-8-[5-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-4-dimethylamino -6-methyl-oxan-2-yl]oxy-14-et"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	.	.	.	.	916.1	C46H77NO17	231	1570	1.2	64	4	18	13	"1S/C46H77NO17/c1-13-33-29(22-57-44-41(56-12)40(55-11)37(52)25(4)60-44)43-46(8,64-43)16-14-31(49)23(2)18-28(15-17-48)38(24(3)32(50)20-34(51)61-33)62-35-19-30(47(9)10)39(26(5)58-35)63-36-21-45(7,54)42(53)27(6)59-36/h14,16-17,23-30,32-33,35-44,50,52-54H,13,15,18-22H2,1-12H3/b16-14+"	CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)CC=O)C)C)COC5C(C(C(C(O5)C)O)OC)OC	KZXDKUWSAVUSKI-JQIJEIRASA-N
DG00450	Rosaramicin	6537204	Rosaramicin; Juvenimicin A3; ROSAMICIN	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:87084	.	.	.	581.7	C31H51NO9	135	941	2.3	41	2	10	6	"1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1"	CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C	IUPCWCLVECYZRV-JZMZINANSA-N
DG00451	Tulathromycin A	9832301	"Tulathromycin A; 217500-96-4; Tulathromycin; Draxxin; UNII-897A3KN7AP; 897A3KN7AP; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; Tulathrmycin A; yl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminometh; CP 472295; Tulathromycin A [USAN]; SCHEMBL14672085; DTXSID60274184; EX-A243; CHEBI:182495; AMY19375; Tulathromycin A, >=95% (HPLC); s3712; ZINC94313254; CCG-270497; CS-1622; DB11474; HY-15662; CP-472,295; A12279; C21788; T-8800; Tulathromycin A 100 microg/mL in Acetonitrile; 500T964; A849260; Q7851973; Tulathromycin, Antibiotic for Culture Media Use Only; UNII-Q839I13422 component GUARTUJKFNAVIK-QPTWMBCESA-N; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2RChemicalbook,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-4-C-((propylamino)methyl)-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one; 1-Oxa-6-azacyclopentadecan-15-one, 13-((2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-((propylamino)methyl)-alpha-l-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-; 1-OXA-6-AZACYCLOPENTADECAN-15-ONE,13-[[2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-4-C-[(PROPYLAMINO)METHYL]-A-L-RIBO-HEXOPYRANOSYL]OXY]-2-ETHYL-3,4,10-TRIHYDROXY-3,5,8,10,12,14-HEXAMETHYL-11-[[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-B-D-XYLO-HEXOPYRANOSYL]OXY]-, (2R,3S; 1-Oxa-6-azacyclopentadecan-15-one,13-[[2,6-dideoxy-3-C-methyl-3-O-methyl-4-C-[(propylamino)methyl]-a-L-ribo-hexopyranosyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11474	.	.	806.1	C41H79N3O12	201	1240	3.8	56	7	15	11	"1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1"	CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O	GUARTUJKFNAVIK-QPTWMBCESA-N
DG00452	Linopristin	9919429	"Linopristin; UNII-312V80FR4J; 325965-23-9; 312V80FR4J; Linopristin [INN]; DTXSID10186288; Q6554731; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-((4-(dimethylamino)phenyl)methyl)-6-ethyl-10,23-dimethyl-18-((morpholin-4-yl)methyl)-5,8,12,15,21,24-hexaoxo-13-phenyl-1,2,3,5,6,7,8,9,10,11,12,13,14,15,15a,16,19,21,22,23,24,24a-docosahydropyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,10,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypyridine-2-carboxamide; N-((6R,9S,10R,13S,15aS,22S,24aS)-22-(4-(dimethylamino)benzyl)-6-ethyl-10,23-dimethyl-18-(morpholinomethyl)-5,8,12,15,21,24-hexaoxo-13-phenyl-1,2,3,5,6,7,8,9,10,13,14,15,15a,16,19,21,22,23,24,24a-icosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamide; N-[(3S,6S,12R,15S,16R,19S,22S)-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-25-(morpholin-4-ylmethyl)-2,5,11,14,18,21-hexaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacos-24-en-15-yl]-3-hydroxypyridine-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	950.1	C50H63N9O10	223	1860	3.1	69	4	13	9	"1S/C50H63N9O10/c1-6-36-47(64)58-23-11-14-38(58)48(65)56(5)39(28-32-16-19-35(20-17-32)55(3)4)49(66)59-30-33(29-57-24-26-68-27-25-57)18-21-37(59)44(61)54-42(34-12-8-7-9-13-34)50(67)69-31(2)41(45(62)52-36)53-46(63)43-40(60)15-10-22-51-43/h7-10,12-13,15-20,22,31,36-39,41-42,60H,6,11,14,21,23-30H2,1-5H3,(H,52,62)(H,53,63)(H,54,61)/t31-,36-,37+,38+,39+,41+,42+/m1/s1"	CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CC(=CC[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CN6CCOCC6)CC7=CC=C(C=C7)N(C)C)C	NVGNYGXBILPHOS-VXNAYKIUSA-N
DG00454	6'-N-Ethylnetilmicin	15344654	6'-N-Ethylnetilmicin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	503.6	C23H45N5O7	186	703	-3.3	35	8	12	10	"1S/C23H45N5O7/c1-5-27-10-12-7-8-13(24)21(33-12)34-18-14(25)9-15(28-6-2)19(16(18)29)35-22-17(30)20(26-4)23(3,31)11-32-22/h7,13-22,26-31H,5-6,8-11,24-25H2,1-4H3/t13-,14+,15-,16+,17-,18-,19+,20-,21-,22-,23+/m1/s1"	CCNCC1=CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NCC)N)N	RZXCDENQJDMFQY-OLUUFXIRSA-N
DG00455	Lankamycin	15560071	"Lankamycin; UNII-68DQY2P51C; 30042-37-6; 68DQY2P51C; Kujimycin B; Lankavamycin; (2R,3S,4S,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5R,6S)-5-acetoxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-10-(((2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((2S,3S)-3-hydroxybutan-2-yl)-3,5,7,9,11,13-hexamethyl-6,14-dioxooxacyclotetradecan-4-yl acetate; Antibiotic A-20338-N2; A-20338-N2; CHEBI:80017; Q27149163; [(2R,3S,4S,5R,7S,9S,10S,11R,12S,13R)-12-[(2R,4R,5R,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-hydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-10-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] acetate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	833	C42H72O16	212	1390	3.9	58	3	16	12	"1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,30-,31-,32+,33-,34+,35-,36-,38+,40-,41-,42+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@@H](C)[C@H](C)O)C)OC(=O)C)C)(C)O)C)O)OC	JQMACDQCTNFQMM-QAOHEUSVSA-N
DG00456	Sodium deoxycholate	23668196	"Sodium deoxycholate; 302-95-4; Deoxycholic acid sodium salt; Sodium desoxycholate; Deoxycholate sodium; Desoxycholate sodium; Sodium 7-deoxycholate; Deoxycholic acid, sodium salt; UNII-436LS6U35Y; 7-Deoxycholic acid sodium salt; CHEBI:9177; 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt; 436LS6U35Y; MFCD00064139; NCGC00091038-01; ATX 101; Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3a,5b,12a)-; 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI); DSSTox_CID_13389; DSSTox_RID_79069; DSSTox_GSID_33389; Sodium deoxycholic acid; Na-Desoxycholat; Na-Desoxycholat [German]; Sodiumdeoxycholate; CAS-302-95-4; CCRIS 655; Deoxycholic acid sodium salt monohydrate; Desoxycholic acid sodium salt; EINECS 206-132-7; sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate; Dihydroxy 3-12 cholanate de Na [French]; Dihydroxy 3-12 cholanate de Na; Natrium-3-alpha,12-alpha-dihydroxycholanat [German]; deoxycholic acid sodium; Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate; Natrium-3-alpha,12-alpha-dihydroxycholanat; 145224-92-6; SCHEMBL37482; MLS002695906; 3alpha,12alpha-Dihydroxy-5beta-cholanic acid sodium salt; CHEMBL1365278; DTXSID5033389; HY-N0593A; Deoxycholic acid sodium salt hydrate; Tox21_111066; Tox21_200896; 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt; AKOS002391107; AKOS017345123; CS-8046; NSC 681065; Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-; NCGC00258450-01; AC-24206; BP-31018; O134; SMR001562102; Sodium deoxycholate, >=97% (titration); 68512-EP2275413A1; 68512-EP2308855A1; Deoxycholic acid sodium salt, for electrophoresis; Sodium 3- ,12- -dihydroxy-5- -cholan-24-oate; Q-200935; Q25474151; sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate; Sodium deoxycholate, Vetec(TM) reagent grade, >=97%; Sodium deoxycholate, BioXtra, >=98.0% (dry matter, NT); Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI); Sodium deoxycholate, Suitable for manufacturing of diagnostic kits and reagents; sodium (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; Sodium deoxycholate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production; sodium(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; Sodium;(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate; sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	414.6	C24H39NaO4	80.6	612	.	29	2	4	4	"1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1"	C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]	FHHPUSMSKHSNKW-SMOYURAASA-M
DG00457	Arylomycin C16	54586211	Arylomycin C16; CHEMBL1784531; SCHEMBL14234622; BDBM50441139	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	881.1	C46H68N6O11	255	1500	6.4	63	8	11	23	"1S/C46H68N6O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39(56)51(4)36(28-53)44(60)48-29(2)42(58)47-27-40(57)52(5)41-32-21-23-38(55)34(26-32)33-24-31(20-22-37(33)54)25-35(46(62)63)50-43(59)30(3)49-45(41)61/h20-24,26,29-30,35-36,41,53-55H,6-19,25,27-28H2,1-5H3,(H,47,58)(H,48,60)(H,49,61)(H,50,59)(H,62,63)/t29-,30+,35+,36-,41+/m1/s1"	CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)O)O	HGWCKYGOWQEYSJ-JBWZRHCTSA-N
DG00459	Corticostatin	56841867	"Corticostatin; 68563-24-6; 113255-28-0; (7-28)-Corticotropin; Acth(7-38); Defensin; Acth (7-38); Corticostatin-I; Corticotripin-inhibiting peptide; Corticotropin-inhibiting peptide; CIP peptide; ACTH (7-38) (human); Corticotropin-Inhibiting Peptide (CIP); FRWGKPVGKKRRPVKVYPNGAEDESAEAFPLE-OH; 103220-14-0; alpha7-38-Corticotropin (pig), 31-L-serine-; H-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly-Lys-Lys-Arg-Arg-Pro-Val-Lys-Val-Tyr-Pro-Asn-Gly-Ala-Glu-Asp-Glu-Ser-Ala-Glu-Ala-Phe-Pro-Leu-Glu-OH"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	3659.1	C167H257N47O46	1510	8780	-18.5	260	51	54	120	"1S/C167H257N47O46/c1-87(2)75-113(150(245)200-112(164(259)260)59-63-131(227)228)203-153(248)120-48-31-73-213(120)162(257)117(77-95-37-16-13-17-38-95)205-138(233)93(11)188-142(237)107(56-60-128(221)222)192-137(232)92(10)189-152(247)119(86-215)207-148(243)109(58-62-130(225)226)197-151(246)116(81-132(229)230)202-147(242)108(57-61-129(223)224)193-136(231)91(9)187-125(218)83-184-141(236)115(80-124(173)217)204-154(249)121-49-32-74-214(121)163(258)118(78-96-52-54-98(216)55-53-96)206-159(254)134(89(5)6)208-149(244)104(43-22-26-66-170)198-158(253)135(90(7)8)210-156(251)123-51-34-72-212(123)161(256)111(47-30-70-182-167(178)179)199-145(240)106(46-29-69-181-166(176)177)196-144(239)103(42-21-25-65-169)195-143(238)102(41-20-24-64-168)190-126(219)85-186-157(252)133(88(3)4)209-155(250)122-50-33-71-211(122)160(255)110(44-23-27-67-171)191-127(220)84-185-140(235)114(79-97-82-183-101-40-19-18-39-99(97)101)201-146(241)105(45-28-68-180-165(174)175)194-139(234)100(172)76-94-35-14-12-15-36-94/h12-19,35-40,52-55,82,87-93,100,102-123,133-135,183,215-216H,20-34,41-51,56-81,83-86,168-172H2,1-11H3,(H2,173,217)(H,184,236)(H,185,235)(H,186,252)(H,187,218)(H,188,237)(H,189,247)(H,190,219)(H,191,220)(H,192,232)(H,193,231)(H,194,234)(H,195,238)(H,196,239)(H,197,246)(H,198,253)(H,199,240)(H,200,245)(H,201,241)(H,202,242)(H,203,248)(H,204,249)(H,205,233)(H,206,254)(H,207,243)(H,208,244)(H,209,250)(H,210,251)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,259,260)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t91-,92-,93-,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,133-,134-,135-/m0/s1"	C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CC=CC=C9)N	ZKALIGRYJXFMNS-XBDDSDALSA-N
DG00460	Lincosamides	56842237	Lincosamides; D055231000	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	831.5	C36H67ClN4O11S2	275	1000	.	54	9	15	14	"1S/C18H33ClN2O5S.C18H34N2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9 ,10-,11+,12 ,13+,14-,15-,16-,18-;9-,10-,11+,12-,13+,14-,15-,16-,18-/m11/s1"	CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl	MMYMXHAXTQPVRO-DGXIQQDPSA-N
DG00461	Insulin	.	"BrioDurance; Insulin (agglomerated vesicle technology, diabetes), Cense Biosciences; Insulin (subcutaneous/nanoparticle/suspension/sustained release formulation, diabetes); Insulin (subcutaneous/nanoparticle/suspension/sustained release formulation, diabetes), Cense Biosciences"	Approved	1	Approved Drug(s)	Approved	Hormones/Insulins	.	.	DB00030	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00463	Anastrazola/Goserelin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00464	Carboplatin/Liposomal doxorubicin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00465	Carboplatin/Paclitaxel	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00466	Cefoxitin/Clavulanate	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00467	Cefoxitin/Sulbactam	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00468	Cefoxitin/Tazobactam	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00469	Ceftazidime/Cloxacillin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00470	Dapsone/Rifampin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00471	Exemestane/Everolimus	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00472	Gefitinib/Pemetrexed	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00473	Lapatinib/Capecitabine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00474	Rituximab/Doxorubicin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00475	Tamoxifen/Goserelin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00476	Tamoxifen/Trastuzumab	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00477	6-N-ethyl-netilmicin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00478	Anti-EGFR treatment	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00479	Bacitracin methylene disalicylate	11980094	"Bacitracin methylene disalicylate; Bacitracin methylene disalicylate; 55852-84-1; MD bacitracin; Kemitracin 10; Caswell No. 066D; Fortracin (bacitracin-MD); Bacitracin, methylenebis(2-hydroxybenzoate); Bacitracin methylenedisalicylate; Bacitracin methylenedisalicylic acid; EINECS 259-862-3; Methylenebis(2-hydroxybenzoate)bacitracin; Bacitracin, methylenebis(2-hydroxybenzoate) (salt)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00626	.	.	1729	C81H117N17O23S	683	3170	.	122	20	29	54	"1S/C66H105N17O17S.C15H12O6/c1-9-35(6)52(70)65-81-48(32-101-65)62(96)76-43(26-34(4)5)58(92)74-42(22-23-50(85)86)57(91)83-53(36(7)10-2)63(97)75-40(20-15-16-24-67)55(89)73-41(21-17-25-68)56(90)82-54(37(8)11-3)64(98)79-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-71-33-72-39)60(94)78-46(30-51(87)88)61(95)80-47(66(99)100)29-49(69)84;16-12-7-3-1-5-10(12)14(18)20-9-21-15(19)11-6-2-4-8-13(11)17/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67-68,70H2,1-8H3,(H2,69,84)(H,71,72)(H,73,89)(H,74,92)(H,75,97)(H,76,96)(H,77,93)(H,78,94)(H,79,98)(H,80,95)(H,82,90)(H,83,91)(H,85,86)(H,87,88)(H,99,100);1-8,16-17H,9H2/t35 ,36-,37-,40-,41+,42+,43-,44+,45-,46+,47-,48 ,52 ,53-,54-;/m0./s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C3CSC(=N3)C(C(C)CC)N.C1=CC=C(C(=C1)C(=O)OCOC(=O)C2=CC=CC=C2O)O	.
DG00480	BPI-derived peptide P2	.	.	Terminated	10	Discontinued Drug(s)	Terminated	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00481	Cefametazole	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00482	Ciprofloxacin	2764	Ciprofloxacin; 85721-33-1; Ciprofloxacine; Ciprobay; Ciproxan; Ciprofloxacina; Ciprofloxacinum; Ciprofloxacino; Cipro IV; Ciproxina; Ciprinol; Bernoflox; Ciprodar; Cifloxin; Septicide; Bacquinor; Ciproquinol; Cipromycin; Ciprocinol; Cipro XR; Superocin; Ciprowin; Ciprolon; Ciproflox; Ciprecu; BAY q 3939; Spitacin; Quintor; Quinolid; Proflaxin; Probiox; Ipiflox; Zumaflox; Ciproxine; Ciprolin; Roxytal; Italnik; Fimoflox; Corsacin; Citopcin; Ciprogis; Rancif; Ciriax; Ciplus; Baflox; Loxan; Cilab; Cycin; Cixan; Unex; GW1843; Ciprofloxacin Hydrochloride; Ciprofloxacin intratympanic - Otonomy	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:100241	DB00537	DR00783	DR2273	331.34	C17H18FN3O3	72.9	571	-1.1	24	2	7	3	"1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)"	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	MYSWGUAQZAJSOK-UHFFFAOYSA-N
DG00483	Cortiosteroids	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00484	Elfamycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00485	FGFR inhibitors	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00487	Fluoroquinolones	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00488	Gefitinib/S-1	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00489	HER2 inhibitors	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00490	Huaier	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00491	Huaier extract	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00492	Moenomycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00493	Moenomycin A	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00494	MPA	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00495	Oncolytic vaccinia virus	.	.	Phase 2	7	Clinical Trial Drug(s)	Phase 2	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00496	Pristinamycin I	.	.	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00497	Purine analogues	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00498	RAWQ01	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00499	Sulfamethizole/Sulfadiazine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00500	Sulphonamides	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00501	Tetracycline/Minocycline	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00502	TKIS	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00503	TRAIL	.	Tumor necrosis factor-related apoptosis-inducing ligand	phase 3	5	Clinical Trial Drug(s)	phase 3	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00504	Tunicamycin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	DB13172	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00505	SARS-CoV-2-neutralizing antibody S2E12	.	SARS-CoV-2-neutralizing antibody S2E12; mAbS2E12	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00506	COV2-2196	.	COV2-2196	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00507	COV2-3025	.	COV2-3025	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00508	COV2-2381	.	COV2-2381	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00509	SARS-CoV-2-neutralizing antibody S2H58	.	SARS-CoV-2-neutralizing antibody S2H58; S2H58; mAbS2H58	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00510	COV2-2050	.	COV2-2050	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00511	SARS-CoV-2-neutralizing antibody 1B07	.	SARS-CoV-2-neutralizing antibody 1B07; 1B07; mAb1B07	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00512	COVOX-384	.	COVOX-384	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00513	SARS-CoV-2-neutralizing antibody SARS2-10	.	SARS-CoV-2-neutralizing antibody SARS2-10; SARS2-10; mAbSARS2-10	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00514	COVOX-40	.	COVOX-40	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00515	SARS-CoV-2-neutralizing antibody 5-24	.	SARS-CoV-2-neutralizing monoclonal antibody 5-24; 5-24; mAb5-24	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00516	SARS-CoV-2-neutralizing antibody 4-8	.	SARS-CoV-2-neutralizing monoclonal antibody 4-8; 4-8; mAb4-8	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00517	SARS-CoV-2-neutralizing antibody 4A8	.	SARS-CoV-2-neutralizing antibody 4A8; mAb4A8	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00518	SARS-CoV-2-neutralizing antibody 2-17	.	SARS-CoV-2-neutralizing monoclonal antibody 2-17; 2-17; mAb2-17	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00519	SARS-CoV-2-neutralizing antibody 4-19	.	SARS-CoV-2-neutralizing monoclonal antibody 4-19; 4-19; mAb4-19	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00520	SARS-CoV-2-neutralizing antibody 5-7	.	SARS-CoV-2-neutralizing monoclonal antibody 5-7; 5-7; mAb5-7	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00521	Casirivimab	.	Casirivimab; REGN10933	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB15941	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00522	SARS-CoV-2-neutralizing antibody 910-30	.	SARS-CoV-2-neutralizing antibody 910-30; mAb910-30	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00523	SARS-CoV-2-neutralizing antibody 2-15	.	SARS-CoV-2-neutralizing monoclonal antibody 2-15; 2-15; mAb 2-15	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00524	Bamlanivimab	.	LY-CoV555; LY3819253	Phase 4	4	Approved Drug(s)	Phase 4	Monoclonal antibody	.	.	DB15718	.	.	146000	C6498H10068N1732O2032S46	.	.	.	.	.	.	.	.	.	.
DG00525	SARS-CoV-2-neutralizing antibody C121	.	SARS-CoV-2-neutralizing antibody C121; C121; mAbC121	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00526	Tocilizumab	.	Atlizumab; ocilizumab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06273	.	.	148000	C6428H9976N1720O2018S42	.	.	.	.	.	.	.	.	.	.
DG00527	Tixagevimab/Cilgavimab	.	.	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	DB16394; DB16393	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00528	Sarilumab	.	REGN88; SAR153191; Sarilumab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB11767	.	.	150000	C6388H9918N1718O1998S44	.	.	.	.	.	.	.	.	.	.
DG00529	Casirivimab/Imdevimab	.	.	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	DB15941;DB15940	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00530	Canakinumab	.	ACZ-885; ACZ885	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB06168	.	.	145200	C6452H9958N1722O2010S42	.	.	.	.	.	.	.	.	.	.
DG00531	Anakinra	.	Anakinra; IL-1RA; Interleukin-1 receptor antagonist anakinra	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB00026	.	.	17257.6	.	.	.	.	.	.	.	.	.	.	.
DG00534	Molnupiravir	145996610	"EIDD 2801; EIDD-2801; EIDD2801; molnupiravir; 2349386-89-4; MK-4482; UNII-YA84KI1VEW; YA84KI1VEW; Eidd 1931-isopropyl ester; Molnupiravir [USAN]; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate; 2492423-29-5; WHO 11853; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-(hydroxyamino)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; molnupiravirum; Lagevrio; Molnupiravir [INN]; Molnupiravir [WHO-DD]; pro-EIDD-1931; EIDD-2801(Molnupiravir); CHEMBL4650320; EIDD 1931 5'-isopropylester; GTPL10737; med.21724, Compound 182; CHEBI:180653; BDBM429508; BCP32744; EX-A3432; MFCD32663515; MK4482; s8969; AT13078; N(4)-hydroxycytidine 5'-isopropylester; N4-Hydroxycytidine, 5'-isopropyl ester; AC-35171; CS-0114880; beta-D-N4 Hydroxycytidine-5'-isopropyl ester; beta-D-N(4)-hydroxycytidine-5'-isopropyl ester; A936190; Uridine, 4-oxime, 5'-(2-methylpropanoate), (4Z)-; N-hydroxy-5'-O-(2-methylpropanoyl)-3,4-dihydrocytidine; EIDD 2801; EIDD2801; Uridine, 4-oxime, 5'-(2-methylpropanoate; ((2R,3S,4R,5R)-3,4-Dihydroxy-5-((4Z)-4-(hydroxyimino)-2-oxo-3,4- dihydropyrimidin-1(2H)-yl)oxolan-2-yl)methyl 2-methylpropanoate; ((2R,3S,4R,5R)-3,4-dihydroxy-5-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl isobutyrate; {(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 2-methylpropanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB15661	.	.	329.31	C13H19N3O7	141	534	-0.8	23	4	7	6	"1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1"	CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O	HTNPEHXGEKVIHG-QCNRFFRDSA-N
DG00535	SARS-CoV-2-neutralizing antibody SARS2-31	.	SARS-CoV-2-neutralizing antibody SARS2-31; SARS2-31; mAbSARS2-31	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00536	Sotrovimab	.	Sotrovimab	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB16355	.	.	149000	.	.	.	.	.	.	.	.	.	.	.
DG00537	Favipiravir	492405	"Favipiravir; 259793-96-9; 6-FLUORO-3-HYDROXYPYRAZINE-2-CARBOXAMIDE; T-705; 6-fluoro-3-oxo-3,4-dihydropyrazine-2-carboxamide; avigan; Favipiravir (T-705); 5-fluoro-2-oxo-1H-pyrazine-3-carboxamide; 6-fluoro-3-hydroxy-2-pyrazinecarboxamide; T 705; UNII-EW5GL2X7E0; Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo-; 6-fluoro-3-hydroxy-pyrazine-2-carboxamide; Favipiravir; T-705; EW5GL2X7E0; T705; MFCD12032148; 2-Pyrazinecarboxamide, 6-fluoro-3-hydroxy-; 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarboxamide; T-705 cpd; Fapilavir; Favilavir; Favipiravir [USAN:INN:JAN]; Avigan (TN); SCHEMBL587913; Favipiravir (JAN/USAN/INN); AMPZ0004; CHEMBL221722; SCHEMBL15157866; GTPL11139; AOB2076; DTXSID60948878; CHEBI:134722; BCPP000056; BCP02422; EX-A2285; BBL104098; QC-771; s7975; STL557913; ZINC13915654; AKOS005166863; AKOS015995178; ZINC584639712; ZINC584639713; ACN-041491; CCG-266269; CS-0612; DB12466; PB25591; NCGC00373041-03; NCGC00373041-06; AC-28900; DA-19682; HY-14768; MS-20791; SY110833; AM20080851; FT-0686297; FT-0701282; A25520; D09537; 6-fluoro-3,4-dihydro-3-oxo-Pyrazinecarboxamide; 793P969; A902150; J-518718; T 705,CAS;259793-96-9; Q16934561"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12466	.	.	157.1	C5H4FN3O2	84.6	282	-0.6	11	2	4	1	"1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)"	C1=C(N=C(C(=O)N1)C(=O)N)F	ZCGNOVWYSGBHAU-UHFFFAOYSA-N
DG00538	Baricitinib	44205240	"Baricitinib; 1187594-09-7; INCB028050; olumiant; LY3009104; 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile; INCB 028050; INCB-028050; 1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile; LY-3009104; UNII-ISP4442I3Y; Baricitinib (LY3009104, INCB028050); ISP4442I3Y; 2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE; LY 3009104; LY3009104 (phosphate);INCB028050 (phosphate); C16H17N7O2S; 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-; Baricitinib [USAN:INN]; INCB 28050; Olumiant (TN); 3-AZETIDINEACETONITRILE, 1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]-; 3JW; MLS006011247; SCHEMBL871150; Baricitinib (JAN/USAN/INN); Baricitinib (LY3009104); Baricitinib (INCB028050); GTPL7792; CHEMBL2105759; AMMD00005; CHEBI:95341; DTXSID30152228; EX-A413; QCR-197; HMS3651L17; HMS3672M15; HMS3747G21; AOB87724; BCP04686; BDBM50021656; MFCD21608464; NSC799357; s2851; ZINC73069247; AKOS022186127; AKOS025401933; AM81232; BCP9000380; CCG-268312; CS-0724; DB11817; DS-7641; NSC-799357; PB27275; SB10845; NCGC00345839-01; NCGC00345839-14; NCGC00345839-16; 2-(3-(4-(3H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile; AC-27404; HY-15315; SMR004703006; BCP0726000031; AB0035958; Baricitinib (INCB28050, LY3009104); FT-0775037; SW220096-1; Y0439; D10308; A892931; J-503551; Q4860707; (1-(Ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)ethanenitrile; {1-(ethylsulfonyl)-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile; INCB 28050; INCB28050; LY-3009104;1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile; INCB-028050; ; ; LY-3009104; ; ; 2-[1-Ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11817	.	.	371.4	C16H17N7O2S	129	678	-0.5	26	1	7	5	"1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)"	CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	XUZMWHLSFXCVMG-UHFFFAOYSA-N
DG00539	Nirmatrelvir/Ritonavir	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16691; DB00503	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00540	Gemtuzumab ozogamicin	.	Gemtuzumab ozogamicin	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB00056	.	.	150500	.	.	.	.	.	.	.	.	.	.	.
DG00541	Brentuximab vedotin	.	"Brentuximab; Brentuximab vedotin; Brentuximab vedotin brentuximab; Brentuximab vedotina; cAC10-vcMMAE; Moab, chimeric, SGN-30, to CD30 antigen; Monoclonal antibody SGN-30"	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB08870	.	.	.	C6476H9930N1690O2030S40	.	.	.	.	.	.	.	.	.	.
DG00542	Inotuzumab ozogamicin	.	Inotuzumab ozogamicin	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB05889	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00543	Loncastuximab tesirine	.	Loncastuximab tesirine; loncastuximab tesirine-lpyl	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB16222	.	.	151000	.	.	.	.	.	.	.	.	.	.	.
DG00544	Erlotinib HCI	176871	"Erlotinib hydrochloride; 183319-69-9; erlotinib HCl; Tarceva; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride; OSI-774; OSI 774; Erlotinib (Hydrochloride); CP 358774; CP-358774; UNII-DA87705X9K; erlotinib, hydrochloride salt; Erlotinib HCl (OSI-744); Tarceva (Erlotinib Hydrochloride); NSC 718781; DA87705X9K; 6,7-bis(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hydrochloride; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride; MFCD07781272; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, hydrochloride (1:1); NSC-718781; 6,7-bis(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hcl; 183319-69-9 (HCl); CP-358,774-01; C22H24ClN3O4; [6,7-BIS-(2-METHOXY-ETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYL-PHENYL)-AMINE HYDROCHLORIDE; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine Monohydrochloride.; CHEBI:53509; OSI-744; SMR002529980; NSC718781; 4-(m-Ethynylanilino)-6,7-bis(2-methoxyethoxy)quinazoline monohydrochloride; RG-1415; 183319-69-9 pound not183321-74-6; R-1415; Erlotinib, HCl; erlotinib hcl salt; Erlotinib hydrochloride [USAN:INN]; Tarceva (OSI); tarceva hydrochloride; erlotonib hydrochloride; Erlotinib hydrochlroide; Erlotinib(OSI-744); MLS003899192; MLS004774139; C22H23N3O4.HCl; CHEMBL1079742; NSC 718781) HCl; DTXSID10171412; EX-A064; SYN1039; Erlotinib Hydrochloride (Tarceva); BCPP000238; AOB87784; BCP02600; AC-400; CP-358; s1023; AKOS015849087; BCP9000658; CCG-269002; CS-0123; KS-1202; MCULE-9498970160; PB30965; SB16917; 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-, monohydrochloride; Ro-50-8231; BE164421; BP-30224; HY-12008; M375; (CP358774; DB-011534; AM20090622; FT-0651479; EC-000.2313; CP-358774-01; E-4007; J10200; 319E699; Q27124083; F0001-2385; Erlotinib Hydrochloride,CP-358774, OSI-774, NSC 718781; 6,7-Bis-(2-methoxyethoxy)-4-(3-ethynylanilino)quinazoline hydrochloride; [6,7-Bis(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl- phenyl)amine hydrochloride; N-(3-Ethynylphenyl)-6,7-bis(1-methoxyethoxy)-4-quinazolinamine hydrochloride; N-(3-ETHYNYLPHENYL)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMINE HYDROCHLORIDE; N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine, monohydrochloride; N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-quinazolin-4-amine hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0603	429.9	C22H24ClN3O4	74.7	525	.	30	2	7	11	"1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H"	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl	GTTBEUCJPZQMDZ-UHFFFAOYSA-N
DG00545	PKI-587	44516953	"Gedatolisib; 1197160-78-3; PKI-587; PF-05212384; PKI 587; PKI587; 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea; PF 05212384; UNII-96265TNH2R; PF-05212384 (PKI-587); CHEMBL592445; 96265TNH2R; 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea; N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea; Gedatolisib (PF-05212384, PKI-587); PKI-587; PF-05212384; 1-(4-((4-(dimethylamino)piperidin-1-yl)carbonyl)phenyl)-3-(4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl)urea; Urea, N-(4-((4-(dimethylamino)-1-piperidinyl)carbonyl)phenyl)-N'-(4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl)-; Gedatolisib [USAN:INN]; 1-(4-{[4-(Dimethylamino)piperidin-1-yl]carbonyl}phenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea; Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-; PK 587; PK 1587; Gedatolisib(PKI-587); Gedatolisib (USAN/INN); Gedatolisib (PKI-587); SCHEMBL32393; GTPL7940; AOB5085; DTXSID40152557; EX-A028; QCR-208; C32H41N9O4; HMS3748M11; BCP01986; BDBM50308135; MFCD16875679; NSC758256; NSC801014; s2628; ZINC49757175; AKOS005766013; CCG-264662; CS-0449; DB11896; FE-0013; NSC-758256; NSC-801014; SB16571; NCGC00370777-01; NCGC00370777-04; AC-31519; HY-10681; FT-0700110; PKI-587,PF-05212384; X7445; A25474; D10635; J-004182; J-523339; Q27077788; PKI-587; 1197160-78-3; PKI587; PKI 587; N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]urea; N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea; VL1"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11896	.	.	615.7	C32H41N9O4	128	913	2.4	45	2	10	7	"1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)"	CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6	DWZAEMINVBZMHQ-UHFFFAOYSA-N
DG00546	MK1775	24856436	"MK-1775; 955365-80-7; Adavosertib; MK1775; MK 1775; AZD1775; AZD 1775; AZD-1775; UNII-K2T6HJX3I3; 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one; 2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one; K2T6HJX3I3; MFCD17215200; 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one; 1-[6-(2-Hydroxypropan-2-Yl)pyridin-2-Yl]-6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-2-(Prop-2-En-1-Yl)-1,2-Dihydro-3h-Pyrazolo[3,4-D]pyrimidin-3-One; 3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-; 3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-(2-propen-1-yl)-; 8X7; Adavosertib (USAN); Kinome_2656; Adavosertib (MK-1775); MLS006011025; GTPL7702; QCR-46; SCHEMBL1504444; CHEMBL1976040; CHEBI:91414; DTXSID30241868; EX-A331; C27H32N8O2; HMS3295K03; HMS3654H20; HMS3744I13; AOB87173; BCP01928; BDBM50240826; MK-1775 (WEE-1); NSC754352; NSC800793; s1525; ZINC63539231; AKOS024259153; MK-1775(AZD-1775,Adavosertib); Adavosertib pound MK-1775 pound(c); AM90274; BCP9000937; CCG-264905; CS-0105; DB11740; NSC-754352; NSC-800793; SB16663; NCGC00263183-01; NCGC00263183-09; NCGC00263183-10; 2-allyl-1-(6-(2-hydroxy-2-propanyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-1,2-dihydro-3H-pyrazolo(3,4-d)pyrimidin-3-one; 2-Allyl-1-[6-(2-hydroxy-2-propyl)-2-pyridyl]-6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3(2H)-one; AC-28416; AS-17001; BM161385; HY-10993; SMR004702820; SY258875; FT-0699265; SW218122-2; X7493; D11361; BRD-K54256913-001-01-2; Q27074716; 1075739-30-8; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one; 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(4-(4-methylpiperazin-1-yl)phenylamino)-1H-pyrazo; 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one; 2-Allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91414	DB11740	.	.	500.6	C27H32N8O2	101	795	3.1	37	2	9	7	"1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)"	CC(C)(C1=NC(=CC=C1)N2C3=NC(=NC=C3C(=O)N2CC=C)NC4=CC=C(C=C4)N5CCN(CC5)C)O	BKWJAKQVGHWELA-UHFFFAOYSA-N
DG00547	Dovitinib	135398510	"Dovitinib; 405169-16-6; CHIR-258; TKI-258; 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; Chir 258; Dovitinib (TKI-258, CHIR-258); CHIR258; TKI258; UNII-I35H55G906; Dovitinib lactate; CHEMBL522892; 804551-71-1; CHEMBL4578973; MFCD10565680; I35H55G906; TKI 258; 4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one; 4-Amino-5-Fluoro-3-(6-(4-Methylpiperazin-1-yl)-1H-Benzo[D]Imidazol-2-yl)Quinolin-2(1H)-One; (3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone; (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 1027263-12-2; C21H21FN6O; Dovitinib [INN]; 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE; 38O; TK-258; Kinome_1513; Dovitinib (TKI-258); NVP-TKI258; MLS006009991; SCHEMBL172687; GFKI-258; GTPL5962; SCHEMBL9975396; SCHEMBL20399550; BDBM25118; CHEBI:91395; AOB6730; QCR-175; SYN1029; BCPP000286; BDBM153731; CHIR-258(Dovitinib,TKI258); Dovitinib,TKI258, CHIR-258; HMS3295E21; HMS3651E03; BCP01981; EX-A2051; ZINC3816310; CHIR-258, TKI258, Dovitinib; CHIR258 (TKI-258); BDBM50507579; NSC759661; NSC800092; NSC807408; s1018; ZINC18710083; Dovitinib; TKI-258; CHIR-258; AKOS005146311; AKOS015951093; ZINC100270141; BCP9000518; CCG-264778; CS-0120; DB05928; NSC-759661; NSC-800092; NSC-807408; PB13248; SB20297; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one; NCGC00249685-01; NCGC00249685-02; NCGC00249685-11; (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 1447274-99-8; AC-32059; AS-19556; HY-50905; SMR004701066; FT-0667782; SW219787-1; Y0345; EC-000.2257; A24080; C75053; TKI-258;CHIR-258;Unii-I35H55G906; 169A166; 326D834; 1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one; J-514396; BRD-K85402309-001-01-7; Q27077102; Q27163255; Q27453625; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-; B2693-091881; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2 (1h)-one; 4-amino-5-fluoro-3-[6(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl]-2(1h)-quinolinone; 4-amino-5-fluoro-3-[6-(4-methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-yl]quinolin-2(1H)-one; (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril; 4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone; 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one; 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB05928	.	.	392.4	C21H21FN6O	90.3	678	1.6	29	3	6	2	"1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N	PIQCTGMSNWUMAF-UHFFFAOYSA-N
DG00548	Aspirin	2244	"Aspirin; ACETYLSALICYLIC ACID; 50-78-2; 2-Acetoxybenzoic acid; 2-(Acetyloxy)benzoic acid; O-Acetylsalicylic acid; Acetylsalicylate; o-Acetoxybenzoic acid; Acylpyrin; Easprin; Ecotrin; Acenterine; Acetophen; Polopiryna; Acetosal; Colfarit; Salicylic acid acetate; o-Carboxyphenyl acetate; Enterosarein; Aceticyl; Acetonyl; Acetosalin; Acetylin; Aspergum; Aspirdrops; Benaspir; Micristin; Pharmacin; Premaspin; Salcetogen; Temperal; Ecolen; Empirin; Endydol; Rhodine; Saletin; Rheumintabletten; Solprin acid; Acidum acetylsalicylicum; Benzoic acid, 2-(acetyloxy)-; Acetisal; Acetylsal; Aspirine; Bialpirina; Bialpirinia; Claradin; Clariprin; Entericin; Enterophen; Enterosarine; Globentyl; Measurin; Neuronika; Salacetin; Solpyron; Acesal; Acisal; Asagran; Asteric; Cemirit; Decaten; Duramax; Extren; Globoid; Helicon; Idragin; Levius; Pirseal; Rhonal; Solfrin; Adiro; Aspec; Aspro; Novid; Yasta; Acetosalic acid; 2-acetyloxybenzoic acid; Triple-sal; Spira-Dine; ZORprin; Bi-prin; Acetilum acidulatum; Acimetten; Delgesic; Entrophen; Persistin; 2-Carboxyphenyl acetate; Acetilsalicilico; Dolean pH 8; A.S.A. empirin; XAXA; Acido acetilsalicilico; Contrheuma retard; Acide acetylsalicylique; Endosprin; Kapsazal; Bayer; ASA; Acetylsalicylsaure; aspirin (acetylsalicylic acid); Solprin; Triaminicin; Asatard; Tasprin; Nu-seals aspirin; Salicylic acid, acetate; Acido O-acetil-benzoico; Kyselina acetylsalicylova; 2-Acetoxybenzenecarboxylic acid; St. Joseph Aspirin for Adults; A.S.A.; St. Joseph; Kyselina 2-acetoxybenzoova; SP 189; Acetard; AC 5230; Acetylsalicylsaeure; Azetylsalizylsaeure; S-211; UNII-R16CO5Y76E; ECM; CHEBI:15365; 2-(acetyloxy)benzoate; o-(Acetyloxy)benzoic acid; acide 2-(acetyloxy)benzoique; R16CO5Y76E; Aspirin form II; component of Midol; NSC27223; component of Synirin; MFCD00002430; NSC-27223; 8-hour Bayer; component of Zactirin; NSC-406186; component of Coricidin; component of Persistin; component of Robaxisal; o-Acetoxybenzoate; NCGC00015067-04; o-acetyl-salicylic acid; Acetysal; Istopirin; Magnecyl; Medisyl; Polopirin; Ronal; Bayer Buffered; DSSTox_CID_108; Aspro Clear; component of Ascodeen-30; Bayer Plus; WLN: QVR BOV1; Rheumin tabletten; AcetylsalicylicAcid; DSSTox_RID_75372; DSSTox_GSID_20108; Aspirina 03; Acetylsalycilic acid; acetyl salicylic acid; component of Darvon with A.S.A; Bayer Aspirin 8 Hour; Asaphen; Aspalon; Durlaza; Asprin; Bayer Children's Aspirin; Nu-seals; component of St. Joseph Cold Tablets; Aspir-Mox; Durlaza ER; Acetylsalicylsaure [German]; CAS-50-78-2; Acetoxybenzoic acid; Acetysalicylic acid; 11126-35-5; 1173022-25-7; AIN; SMR000059138; Ascoden-30; Benzoicacid, 2-(acetyloxy)-; Acetylsalicyclic acid; CCRIS 3243; HSDB 652; Acide acetylsalicylique [French]; Acido acetilsalicilico [Italian]; Kyselina acetylsalicylova [Czech]; Acido O-acetil-benzoico [Italian]; SR-01000075668; Kyselina 2-acetoxybenzoova [Czech]; Bayer Extra Strength Aspirin for Migraine Pain; EINECS 200-064-1; NSC 27223; Aspirin [USP:BAN:JAN]; Bayer Enteric 325 mg Regular Strength; BRN 0779271; Bay E4465; Aspropharm; Bayer Enteric 81 mg Adult Low Strength; Cardioaspirin; Cardioaspirina; Acetyonyl; Asacard; Ascolong; Bayer Enteric 500 mg Arthritis Strength; Colsprin; Miniasal; Salospir; Acesan; Toldex; AI3-02956; acetyl salicylate; 1oxr; 2-Acetoxybenzoate; 99512-66-0; Aspirin,(S); Aspalon (JAN); Durlaza (TN); Easprin (TN); acetyl-salicylic acid; Aspirin USP-26; acetyl salicyclic acid; o-(Acetyloxy)benzoate; Percodan (Salt/Mix); Ascriptin (Salt/Mix); Micrainin (Salt/Mix); 2-acetoxy benzoic acid; Acetylsalicylicum acidum; Spectrum_001245; 2-Acetylsalicyclic acid; Salicylic acid, acetyl-; CHEMBL25; Spectrum2_001899; Spectrum3_001295; Spectrum4_000099; Spectrum5_000740; Aspirin (JP17/USP); Lopac-A-5376; Salycylacetylsalicylic acid; benzoic acid, 2-acetoxy-; Epitope ID:114151; Percodan Demi (Salt/Mix); Soma Compound (Salt/Mix); ZINC53; EC 200-064-1; Acetylsalicylic acid, 99%; Aspirin USP (3080); cid_2244; Pravigard PAC (Salt/Mix); SCHEMBL1353; 2-(Acetyloxy)-benzoic acid; Aspirin USP (2080B); Bay-e-4465; Acetylsalicylic acid-[13C]; Lopac0_000038; KBioGR_000398; KBioGR_002271; KBioSS_001725; KBioSS_002272; 4-10-00-00138 (Beilstein Handbook Reference); MLS001055329; MLS001066332; MLS001336045; MLS001336046; Acetylsalicylic acid (who-ip); BIDD:GT0118; DivK1c_000555; SPECTRUM1500130; SPBio_001838; Acetylsalicylic acid, >=99%; GTPL4139; (non-d)Acetylsalicylic Acid-d3; O-Acetylsalicylic acid; Aspirin; DTXSID5020108; Acetylsalicylic acid-carboxy-14c; BDBM22360; HMS501L17; KBio1_000555; KBio2_001725; KBio2_002271; KBio2_004293; KBio2_004839; KBio2_006861; KBio2_007407; KBio3_002149; KBio3_002751; Empirin with Codeine (Salt/Mix); Acetylsalicylic acid, >=99.0%; cMAP_000006; component of Zactirin (Salt/Mix); NINDS_000555; HMS1920E13; HMS2090G03; HMS2091K13; HMS2233L18; HMS3260G17; HMS3372N15; HMS3656N14; HMS3715P19; HMS3866L03; HMS3885G03; Pharmakon1600-01500130; BCP21790; STR01551; ACETYLSALICYLIC ACID; ASPIRIN; Tox21_110076; Tox21_202117; Tox21_300146; Tox21_500038; CCG-39490; NSC406186; NSC755899; s3017; STL137674; AKOS000118884; component of Ascodeen-30 (Salt/Mix); Tox21_110076_1; BAY1019036; CS-2001; DB00945; LP00038; MCULE-3199019536; NSC-755899; PL-2200; SDCCGSBI-0050027.P005; BAY-1019036; IDI1_000555; Acetylsalicylic acid, analytical standard; NCGC00015067-01; NCGC00015067-02; NCGC00015067-03; NCGC00015067-05; NCGC00015067-06; NCGC00015067-07; NCGC00015067-08; NCGC00015067-09; NCGC00015067-10; NCGC00015067-11; NCGC00015067-12; NCGC00015067-13; NCGC00015067-14; NCGC00015067-24; NCGC00015067-26; NCGC00090977-01; NCGC00090977-02; NCGC00090977-03; NCGC00090977-04; NCGC00090977-05; NCGC00090977-06; NCGC00090977-07; NCGC00254034-01; NCGC00259666-01; NCGC00260723-01; Aspirin, meets USP testing specifications; H740; HY-14654; NCI60_002222; SBI-0050027.P004; DS-017139; UNM-0000306102; component of Darvon with A.S.A (Salt/Mix); EU-0100038; FT-0655181; FT-0661360; SW199665-2; A 5376; Acetylsalicylic Acid 1.0 mg/ml in Acetonitrile; C01405; D00109; Q18216; AB00051918-08; AB00051918_09; AB00051918_10; Arthritis Pain Formula Maximum Strength (Salt/Mix); SR-01000075668-1; SR-01000075668-4; SR-01000075668-6; Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%; Aspirin, British Pharmacopoeia (BP) Reference Standard; F2191-0068; Z234893989; Aspirin, United States Pharmacopeia (USP) Reference Standard; D41527A7-A9EB-472D-A7FC-312821130549; Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard; Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%; Acetylsalicylic acid for peak identification, European Pharmacopoeia (EP) Reference Standard; Aspirin (Acetyl Salicylic Acid), Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:15365	DB00945	DR00203	DR1749	180.16	C9H8O4	63.6	212	1.2	13	1	4	3	"1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)"	CC(=O)OC1=CC=CC=C1C(=O)O	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
DG00549	Clopidogrel	60606	"Clopidogrel; 113665-84-2; Plavix; (S)-Clopidogrel; Zyllt; Clopidogrel bisulfate; Clopidogrel Acino; Clopidogrel Hexal; (+)-Clopidogrel; CLOPIDOGREL SULFATE; (+)-(S)-Clopidogrel; UNII-A74586SNO7; Clopidogrel BMS; SR 25990; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate; CHEBI:37941; SR-25990C; A74586SNO7; Isocover; R 130964; (S)-Methyl 2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; Clopidogrel (TN); Plavix (TN); methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoate; Thrombo; Clopidogrel [INN:BAN]; clopidogrel Sandoz; CHEMBL1083385; methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate; SMR000550475; Clopidogrel Winthrop; Clopidogrel 1A Pharma; HSDB 7430; NSC-758613; Clopidogrel ratiopharm GmbH; Plavix® Clopidogrel apotex; (+) clopidogrel; CGE; Clopidogrel Teva (hydrogen sulphate); Clopidogrel-ratiopharm; Clopidogrel 1a-pharma; Spectrum_000105; CPD000550475; Clopidogrel (USP/INN); Spectrum2_000512; Spectrum3_001606; Spectrum4_000175; SCHEMBL4769; THIAMINELAURYLSULPHATE; CHEMBL1771; methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; BSPBio_003211; KBioGR_000689; KBioSS_000545; MLS001165708; MLS001195633; MLS001304711; MLS006011891; BIDD:GT0284; DivK1c_000787; SPBio_000463; GTPL7150; DTXSID6022848; HMS502H09; KBio1_000787; KBio2_000545; KBio2_003113; KBio2_005681; KBio3_002431; AMY8913; NINDS_000787; HMS2090O21; HMS2234N16; HMS3259B08; HMS3715J08; BBL010770; BDBM50318910; BDBM50397662; MFCD05662337; NSC748298; STK580572; ZINC34781704; AKOS005504280; CCG-221243; CS-0656; DB00758; MCULE-9061369538; NC00703; NSC 758613; NSC-748298; IDI1_000787; Methyl (+)-(S)-alpha-(o-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4H)-acetate; NCGC00163329-02; NCGC00163329-04; AC-19024; DS-13362; HY-15283; Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (S)-; SBI-0052755.P002; D07729; N11780; AB00053786-07; AB00053786-08; AB00053786_09; AB00053786_10; Q410237; R-130964; BRD-K27721098-065-02-9; BRD-K27721098-065-05-2; UNII-MX75HY8K68 component GKTWGGQPFAXNFI-HNNXBMFYSA-N; methyl (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate; (S)-(+)-Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate; (S)-(+)-Methyl (2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetate; methyl (+)-(S)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-acetate; methyl (+)-(s)-alpha-(o-chlorophenyl)-6,7-dihydrothieno-[3,2-c]pyridine-5(4h)-acetate; methyl (S)-(+)-alpha-(o-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-acetate; methyl(+)-(s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4h) acetate; methyl-(S)-(+)-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl)-acetate; (+)-(S)-(2-Chlorophenyl) (6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester; (+)-(S)-2-(2-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyrid-5-yl)acetic acid methyl ester; Thieno[3,2-c]pyridine-5(4H)-acetic acid, .alpha.-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (.alpha.S)-; Thieno[3,2-c]pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (alphaS)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:37941	DB00758	DR00245	.	321.8	C16H16ClNO2S	57.8	381	3.8	21	0	4	4	"1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1"	COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3	GKTWGGQPFAXNFI-HNNXBMFYSA-N
DG00550	Infigratinib	53235510	"NVP-BGJ398; Infigratinib; 872511-34-7; BGJ398; BGJ-398; BGJ 398; Infigratinib free base; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea; UNII-A4055ME1VK; BGJ398 (NVP-BGJ398); MVP-BGJ398; A4055ME1VK; CHEBI:63451; 872511-34-7 (free base); 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-1-methylurea; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea; C26H31Cl2N7O3; Truseltiq; CHEMBL1834657; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea.; 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-[6-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methylurea; Infigratinib [INN]; Infigratinib [USAN]; Infigratinib (BGJ398); Infigratinib (USAN/INN); Infigratinib [USAN:INN]; NVP-BGJ389; NVP-BGJ398(Infigratinib); MLS006010953; SCHEMBL374435; GTPL7877; QCR-48; CHEMBL1852688; DTXSID70236238; EX-A057; SYN1152; BGJ398, BGJ-398; HMS3295O21; AMY10737; AOB87703; BCP03602; BGJ398 - NVP-BGJ398; BDBM50355393; FD5035; MFCD22123241; NSC764487; s2183; WHO 10032; ZINC72105034; AKOS025149513; AKOS032949944; BCP9000399; CS-0586; DB11886; NSC-764487; SB16612; NCGC00274030-01; NCGC00274030-11; 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea; AC-28417; AS-16290; HY-13311; SMR004702757; Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(6-((4-(4-ethyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)-N-methyl-; BCP0726000187; FT-0699366; Y0313; D11589; J-510477; BRD-K42728290-001-01-8; Q27075200; 07J; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63451	DB11886	.	.	560.5	C26H31Cl2N7O3	95.1	724	4.7	38	2	8	8	"1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)"	CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl	QADPYRIHXKWUSV-UHFFFAOYSA-N
DG00551	Leflunomide	3899	"Leflunomide; 75706-12-6; Arava; lefunamide; Leflunomida; Leflunomidum; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; HWA 486; Leflunomidum [INN-Latin]; HWA-486; Repso; SU101; Arava (TN); 5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide; 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide; 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide; 4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-; alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide; UNII-G162GK9U4W; SU-101; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide; RS-34821; CHEMBL960; MLS000069648; CHEBI:6402; G162GK9U4W; 5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide); MFCD00867593; NSC-677411; NSC-759864; NCGC00015610-02; SMR000058209; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-; CAS-75706-12-6; leflunomide medac; DSSTox_CID_3201; DSSTox_RID_76923; DSSTox_GSID_23201; Leflunomida [INN-Spanish]; SU 101 (pharmaceutical); Lefunomide [Inn-Spanish]; HSDB 7289; SR-01000000191; Arabloc; HWA486; Leflunomide teva; N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; L04AA13; Prestwick_87; Leflunomide [USAN:USP:INN:BAN]; Leflunomide winthrop; SU 101; SULOL; Leflunomide ratiopharm; Spectrum_000322; Opera_ID_1709; Prestwick0_000772; Prestwick1_000772; Prestwick2_000772; Prestwick3_000772; Spectrum5_000850; Lopac-L-5025; L 5025; SCHEMBL5057; BIDD:PXR0189; Lopac0_000649; BSPBio_000844; KBioSS_000802; Leflunomide, Immunosuppressant; MLS001076267; DivK1c_000916; Leflunomide (JAN/USP/INN); SPECTRUM1503927; 5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide; SPBio_002783; BPBio1_000930; GTPL6825; ZINC4840; DTXSID9023201; HMS502N18; KBio1_000916; KBio2_000802; KBio2_003370; KBio2_005938; AOB5964; NINDS_000916; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl; HMS1570K06; HMS1922M06; HMS2090O12; HMS2097K06; HMS2235C07; HMS3262A19; HMS3268D12; HMS3371F21; HMS3414P03; HMS3654F07; HMS3673M17; HMS3678N21; HMS3714K06; HMS3865I13; Pharmakon1600-01503927; ALBB-019233; BCP22241; HY-B0083; Tox21_110182; Tox21_301873; Tox21_500649; BDBM50054601; DL-433; NSC677411; NSC759864; s1247; STL426823; AKOS000265193; Tox21_110182_1; AC-6796; BCP9000846; CCG-204736; CS-1781; DB01097; KS-1076; LP00649; MCULE-9490869974; NSC 677411; NSC 759864; SB17287; SDCCGSBI-0050629.P003; IDI1_000916; NCGC00015610-01; NCGC00015610-03; NCGC00015610-04; NCGC00015610-05; NCGC00015610-06; NCGC00015610-07; NCGC00015610-08; NCGC00015610-09; NCGC00015610-10; NCGC00015610-11; NCGC00015610-12; NCGC00015610-13; NCGC00015610-14; NCGC00015610-17; NCGC00015610-18; NCGC00015610-30; NCGC00022625-03; NCGC00022625-04; NCGC00022625-05; NCGC00022625-06; NCGC00022625-07; NCGC00022625-08; NCGC00255370-01; NCGC00261334-01; BM164612; H527; Leflunomide 100 microg/mL in Acetonitrile; A9622; AB00052389; EU-0100649; FT-0621959; L0250; SW196399-3; C07905; D00749; MLS-0003109.0001; AB00052389-17; AB00052389-18; AB00052389_19; AB00052389_21; 706L126; Q248550; Q-201289; SR-01000000191-2; SR-01000000191-4; SR-01000000191-7; BRD-K78692225-001-03-9; BRD-K78692225-001-11-2; 5-methyl-4-(4-trifluoromethyl-phenyl)aminocarbonylisoxazole; 5-methyl-4-(4-trifluoromethylphenyl)aminocarbonylisoxazole; Leflunomide, European Pharmacopoeia (EP) Reference Standard; N-(4-trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; 5-Methyl-N-[4-(trifluoromethyl)-phenyl]isoxazole-4-carboxamide; 5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide; N-(4-trifluoromethylphenyl)-5-methylisoxa-zole-4-carboxamide; Isoxazole-4-carboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-; Leflunomide, United States Pharmacopeia (USP) Reference Standard; 5-methyl-N-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxamide;Leflunomide; HWA486; RS-34821; SU101;HWA 486; RS 34821; SU 101; Leflunomide, Pharmaceutical Secondary Standard; Certified Reference Material; Leflunomide for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6402	DB01097	DR00130	DR0921	270.21	C12H9F3N2O2	55.1	327	2.5	19	1	6	2	"1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)"	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	VHOGYURTWQBHIL-UHFFFAOYSA-N
DG00552	Steroid	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00553	Pexidartinib	25151352	"Pexidartinib; 1029044-16-3; PLX3397; PLX-3397; Pexidartinib (PLX3397); Turalio; UNII-6783M2LV5X; CML-261; 5-((5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)-N-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyridin-2-amine; CHEMBL3813873; 6783M2LV5X; 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine; 5-[(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-{[6-(Trifluoromethyl)pyridin-3-Yl]methyl}pyridin-2-Amine; 5-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine; Pexidartinib [INN]; pexidartinibum; Pexidartinib [USAN]; Pexidartinib(PLX3397); Pexidartinib (USAN/INN); Pexidartinib [USAN:INN]; GTPL8710; SCHEMBL1267310; EX-A589; CHEBI:145373; HMS3886D19; BCP15183; PLX 3397; BDBM50177716; MFCD28900745; NSC789300; NSC793434; NSC800843; s7818; AKOS026750359; ZINC115705166; CCG-268862; DB12978; NSC-789300; NSC-793434; NSC-800843; SB19178; NCGC00480774-01; NCGC00480774-06; 3-Pyridinemethanamine, N-(5-((5-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)methyl)-2-pyridinyl)-6-(trifluoromethyl)-; AC-30300; AS-74915; DA-48267; HY-16749; B5854; FT-0699505; PLX 3397;PLX3397;PL-X3397; D11270; A856116; J-690008; Q25100640; B0084-470807; 2(S)-Amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid hydrochloride; 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyridin-2-amine; N-[5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)-3-pyridinemethanamine; N-[5-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]-6-(trifluoromethyl)-3-pyridinemethanamine;Pexidartinib"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145373	DB12978	.	DR1269	417.8	C20H15ClF3N5	66.5	537	4.5	29	2	7	5	"1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)"	C1=CC(=NC=C1CC2=CNC3=C2C=C(C=N3)Cl)NCC4=CN=C(C=C4)C(F)(F)F	JGWRKYUXBBNENE-UHFFFAOYSA-N
DG00554	Erdafitinib	67462786	"Erdafitinib; 1346242-81-6; JNJ-42756493; Balversa; UNII-890E37NHMV; 890E37NHMV; JNJ42756493; N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine; N1-(3,5-dimethoxyphenyl)-N2-isopropyl-N1-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine; Erdafitinib [USAN:INN]; Balversa (TN); Erdafitinib (USAN/INN); GTPL9039; SCHEMBL2583760; CHEMBL3545376; Erdafitinib; JNJ-42756493; JNJ-42756493 (Erdafitinib); AMY31119; BCP20346; EX-A2564; BDBM50525939; MFCD28502040; NSC781556; s8401; compound 4 [WO2011135376]; ZINC168520308; CCG-269200; CS-4988; DB12147; NSC-781556; SB16854; NCGC00475735-01; 1,2-Ethanediamine, N1-(3,5-dimethoxyphenyl)-N2-(1-methylethyl)-N1-(3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinyl)-; AC-30222; AS-35040; HY-18708; JNJ 42756493; D10927; A857165; Q27077213; B0084-470835; 5SF; N-(3,5-dimethoxyphenyl)-N'-(1-methylethyl)-N-[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine; N-(3,5-dimethoxyphenyl)-N'-(1-methylethyl)-N-[3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;Erdafitinib"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12147	.	DR0595	446.5	C25H30N6O2	77.3	583	3.2	33	1	7	9	"1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3"	CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC	OLAHOMJCDNXHFI-UHFFFAOYSA-N
DG00555	"8-methyl-cipro [1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-(1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00556	"8-methoxy-cipro [1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00557	"Cipro-dione [3-amino-7-(1-piperazinyl)-1-cyclopropyl-6-fluoro-2,4(1H,3H)-quinazolinedione]"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00558	"8-H-moxi {1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00559	"8-methyl-moxi {1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00560	"Moxi-dione {3-amino-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4(1H,3H)-quinazolinedione}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00561	"3'-(AM)P-quinolone {1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-7-[(3S)-3-(aminomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00562	"3'-(AM)P-dione {3-amino-7-[(3S)-3-(aminomethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-2,4(1H,3H)-quinazolinedione}"	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00563	Ombitasvir	54767916	"Ombitasvir; 1258226-87-7; ABT-267; Ombitasvir(ABT-267); ABT267; CHEBI:85183; UNII-2302768XJ8; ABT 267; 2302768XJ8; L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-; L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valyl-; dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate; methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; Ombitasvir [USAN:INN]; Ombitasvir (USAN); SCHEMBL8542284; CHEMBL3127326; GTPL11272; AMY6935; EX-A5846; BDBM50453112; s5403; ZINC150601177; CCG-270561; CS-5330; DB09296; ABT-267;ABT267;ABT 267; compound 38 [PMID: 24400777]; NCGC00510316-01; NCGC00510316-02; Carbamic acid, N,N'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)bis(4,1-phenyleneiminocarbonyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; HY-13997; C72037; D10576; Technivie (ombitasvir + paritaprevir + ritonavir); Q19598175; ABT 267; ; ; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(((((2S,5S)-1-(4-(tert-butyl)phenyl)pyrrolidine-2,5-diyl)bis(4,1-phenylene))bis(azanediyl))bis(carbonyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl N-[(1S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85183	DB09296	DR01311	DR1193	894.1	C50H67N7O8	179	1540	7.9	65	4	9	16	"1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	PIDFDZJZLOTZTM-KHVQSSSXSA-N
DG00564	Daclatasvir	25154714	"Daclatasvir; 1009119-64-5; Daclatasvir (BMS-790052); BMS-790052; Daklinza; EBP 883; 1214735-16-6; BMS790052; BMS 790052; CHEBI:82977; methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; UNII-LI2427F9CI; Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester; C40H50N8O6; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dica; 1009119-65-6; LI2427F9CI; methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate; Daclatasvir (USAN); dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-(biphenyl-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate; MLS006011140; EBP883; SCHEMBL2756027; CHEMBL2023898; SCHEMBL17897804; GTPL11266; EBP-883; EX-A410; AMY36655; AOB87747; dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate; 3503AH; BDBM50387084; MFCD17129086; s1482; ZINC68204830; CA10002; CCG-270425; CS-0588; DB09102; NCGC00346533-07; NCGC00346533-09; AC-28958; AS-75298; BMS 790052; EBP 883; HY-10466; SMR004702917; SW219754-1; X7549; D10065; J-520204; Q5207712; methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl [(2s)-1-{(2s)-2-[4-(4'-{2-[(2s)-1-{(2s)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1h-imidazol-4-yl}-4-biphenylyl)-1h-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl]carbamate; methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate; Methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate; methyl N-[(2S)-1-[(2S)-2-[5-(4'-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl-N-[(2s)-1-[(2s)-2-[5-[4-[4-[2-[(2s)-1-[(2s)-2-(methoxycarbonylamino)-3-methylbutanoyl] pyrrolidin-2-yl]-1h-imidazol-5-yl]phenyl]phenyl]-1himidazol-2-yl]pyrrolidin-1-yl]3-methyl-1-oxobutan-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82977	DB09102	DR00144	.	738.9	C40H50N8O6	175	1190	5.1	54	4	8	13	"1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	FKRSSPOQAMALKA-CUPIEXAXSA-N
DG00565	Ledipasvir	67505836	"Ledipasvir; 1256388-51-8; GS-5885; GS5885; UNII-013TE6E4WV; Ledipasvir acetonate; GS 5885; CHEBI:85089; WHO 9796; 013TE6E4WV; methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl [(2S)-1-{(6S)-6-[4-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-5-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl}-3-methyl-1-oxobutan-2-yl]carbamate; Methyl N-[(2S)-1-[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate; Ledipasvir [USAN:INN]; Ledipasvir (USAN); SCHEMBL2706494; CHEMBL2374220; SCHEMBL15116943; GTPL11271; DTXSID90154829; EX-A411; C49H54F2N8O6; Harvoni (ledipasvir + sofosbuvir); 3774AH; BDBM50505966; MFCD25976756; ZINC150338819; CS-1653; DB09027; NCGC00378990-02; NCGC00378990-05; AC-28378; AS-56214; HY-15602; (non-Isotopelabelled)Ledipasvir-13C2, d6; D10442; Q15409409; Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-yl)-1H-benzimidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)hept-5-yl)carbonyl)-2-methylpropyl)-, methyl ester; Methyl ((1S)-1-((1R,3S,4S)-3-(5-(9,9-difluoro-7-(2-((6S)-5-(N-(methoxycarbonyl)- l-valyl)-5-azaspiro(2.4)hept-6-yl)-1H-imidazol-4-yl)-9H-fluoren-2-yl)-1H-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carbonyl)-2-methylpropyl)carbamate; Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2, AldrichCPR; Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate; methyl N-[(1S)-1-[(5S)-5-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-6-azaspiro[2.4]heptane-6-carbonyl]-2-methyl-propyl]carbamate; Methyl=[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[N-(methoxycarbonyl)-L-valyl]-2-azabicyclo[2.2.1]heptane-3-yl]-1H-benzoimidazole-6-yl]-9H-fluorene-2-yl]-1H-imidazole-2-yl]-5-azaspiro[2.4]heptane-5-yl]-3-methyl-1-oxobutane-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85089	DB09027	DR01290	.	889	C49H54F2N8O6	175	1820	7.4	65	4	10	12	"1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1"	CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC	VRTWBAAJJOHBQU-KMWAZVGDSA-N
DG00566	Elbasvir	71661251	"Elbasvir; 1370468-36-2; MK-8742; UNII-632L571YDK; MK 8742; 632L571YDK; MK8742; Methyl ((1S)-1-(((2S)-2-(4-((6S)-10-(2-((2S)-1-((2S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)-6-phenyl-6H-indolo(1,2-c)(1,3)benzoxazin-3-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)carbonyl)-2-methylpropyl)carbamate; Carbamic acid, N,N'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester; Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate; Elbasvir [USAN:INN]; Carbamic acid, N,N'-(((6S)-6-phenyl-6H-indolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; MK8742; Elbasvir; Elbasvir(MK-8742); CHEMBL3039514; SCHEMBL17429773; CHEBI:132967; EX-A2889; methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; BDBM50531952; s5652; ZINC150588351; CCG-270552; CS-5332; DB11574; NCGC00510317-02; HY-15789; MK8742; ; ; MK-8742; A16855; Q19904043; Dimethyl N,N'-(((6S)-6-phenylindolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl-(2S)-pyrrolidine-2,1-diyl((2S)-3-methyl-1-oxobutane-1,2-diyl)))dicarbamate; METHYL ((S)-1-((S)-2-(4-((S)-10-(2-((S)-1-((METHOXYCARBONYL)-L-VALYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)-6-PHENYL-6H-BENZO[5,6][1,3]OXAZINO[3,4-A]INDOL-3-YL)-1H-IMIDAZOL-2-YL)PYRROLIDIN-1-YL)-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE; methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:132967	DB11574	.	DR0561	882	C49H55N9O7	189	1680	6.7	65	4	9	13	"1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1"	CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC	BVAZQCUMNICBAQ-PZHYSIFUSA-N
DG00567	Velpatasvir	67683363	"Velpatasvir; 1377049-84-7; GS-5816; GS5816; UNII-KCU0C7RS7Z; KCU0C7RS7Z; GS 5816; methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate; Methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; Velpatasvir [USAN:INN]; Verpatasvir; Methyl ((2S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((2R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate; Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate; methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate; Velpatasvir(GS5816); Velpatasvir; GS-5816; Velpatasvir (JAN/USAN/INN); SCHEMBL8756902; CHEMBL3545062; SCHEMBL19236068; GTPL11269; AMY4211; CHEBI:133009; Epclusa (sofosbuvir + velpatasvir); BCP13813; EX-A2320; BDBM50521720; MFCD28411371; s3724; ZINC203686879; CCG-270553; CS-5977; DB11613; NCGC00522503-01; NCGC00522503-02; AC-28744; AS-35237; HY-12530; FT-0700879; J3.631.686A; D10806; GS-5816;GS5816;GS 5816; Vosevi (sofosbuvir + velpatasvir + voxilaprevi); A886410; Q25018296; Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4,3:6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester; methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate; methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0 ,  .0 , .0  ,  ]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.0 , .01 ,1 ]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate; methyl{(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133009	DB11613	DR01314	DR1676	883	C49H54N8O8	193	1690	6.2	65	4	10	13	"1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1"	C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC	FHCUMDQMBHQXKK-CDIODLITSA-N
DG00568	Pibrentasvir	58031952	"Pibrentasvir; 1353900-92-1; ABT-530; ABT 530; UNII-2WU922TK3L; A-1325912.0; 2WU922TK3L; 1353900-92-1 (free); dimethyl ((2S,2'S,3R,3'R)-((2S,2'S)-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methoxy-1-oxobutane-1,2-diyl))dicarbamate; methyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate; Pibrentasvir [USAN]; ABT-530;Pibrentasvir; Pibrentasvir(ABT-530); Pibrentasvir (ABT-530); Pibrentasvir (JAN/USAN/INN); SCHEMBL2756579; CHEMBL3545123; SCHEMBL17639956; GTPL11268; EX-A865; C57H65F5N10O8; BDBM50453100; s9641; CS-8135; DB13878; AC-33418; BS-15250; Dimethyl N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)((2S)-pyrrolidine-2,1-diyl)((2S,3R)-3-methoxy-1-oxobutane-1,2-diyl)))biscarbamate; J3.646.121G; D10816; J-690144; Q47495788; A 1325912.0; Carbamic acid, N,N'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidinediyl)bis((6-fluoro-1H-benzimidazole-5,2-diyl)-(2S)-2,1-pyrrolidinediyl((1S)-1-((1R)-1-methoxyethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester; Methyl ((2S,3R)-1-((2S)-2-(5-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)-5-(6-fluoro-2-((2S)-1-(N-(methoxycarbonyl)-O-methyl-L-threonyl)pyrrolidin-2-yl)-1H-benzimidazol-5-yl)pyrrolidin-2-yl)-6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl)-3-methoxy-1-oxobutan-2-yl)carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13878	DR01291	.	1113.2	C57H65F5N10O8	200	2000	7.4	80	4	17	17	"1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1"	C[C@H]([C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)C7=CC=C(C=C7)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)OC)NC(=O)OC)NC(=O)OC)OC	VJYSBPDEJWLKKJ-NLIMODCCSA-N
DG00569	Cefozopran	9571080	"Cefozopran; CZOP; 113359-04-9; Cefozopran [INN]; SCE 2787; cefozopranum; UNII-1LG87K28LW; Cefozopran (INN); 1LG87K28LW; CHEBI:3502; Imidazo[1,2-b]pyridazinium,1-[[(6R,7R)-7-[[(2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt; CCRIS 6737; C19H17N9O5S2; SCHEMBL49106; (-)-1-(((6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1H-imidazo(1,2-b)pyridazin-4-ium hydroxide inner salt, 7(sup 2)-(Z)-(O-methyloxime); Imidazo(1,2-b)pyridazinium, 1-((6R,7R)-7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt; CHEMBL1276663; (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; HY-B0771; AKOS015896118; DB13667; H710; Imidazo(1,2-b)pyridazinium, 1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6R-(6alpha,7beta(Z)))-; D01052; J-504081; (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 1-[[(6R,7R)-7-[[(2Z)-(5-Amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3 -yl]methyl]-imidazo[1,2-B]pyridazinium hydroxide inner salt; 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3502	.	.	.	515.5	C19H17N9O5S2	238	960	0.7	35	2	12	6	"1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1"	CO/N=C(/C1=NSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]	QDUIJCOKQCCXQY-WHJQOFBOSA-N
DG00570	Flomoxef	65864	"Flomoxef; 99665-00-6; Flomoxefum; FMOX; Flomoxef [INN]; UNII-V9E5U5XF42; V9E5U5XF42; Flomoxef (INN); flomoxef sodium; (6R,7R)-7-[[2-(difluoromethylsulfanyl)acetyl]amino]-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Flomoxefo; 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6r-cis)-; 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R,7R)-; Flomoxefum [Latin]; Flomoxefo [Spanish]; C15H18F2N6O7S2; NCGC00182999-01; SCHEMBL49438; CHEMBL15413; CHEBI:135813; BCP20920; HY-B0706; ZINC3874302; AKOS015896442; DB11935; AC-15832; K789; CS-0009596; D07963; 665F006; A846063; Q5459999; (-)-(6R,7R)-7-(2-((Difluoromethyl)thio)acetamido)-3-(((1-(2-hydroxyethyl)-1H-tetrazol-5-yl)thio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[2-(difluoromethylthio)-1-oxoethyl]amino]-3-[[[1-(2-hydroxyethyl)-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[2-[bis(fluoranyl)methylsulfanyl]ethanoylamino]-3-[[1-(2-hydroxyethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-(2-(difluoromethylthio)acetamido)-3-((1-(2-hydroxyethyl)-1H-tetrazol-5-ylthio)methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Investigative	1	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11935	.	.	496.5	C15H18F2N6O7S2	220	793	-1.3	32	3	14	11	"1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1"	CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)F	UHRBTBZOWWGKMK-DOMZBBRYSA-N
DG00571	Intravenous immunoglobulin	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB00028	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00572	Amphotericin B	5280965	"Amphotericin b; 1397-89-3; Amphotericin; Amphotericine B; Fungizone; Amfotericina B; Amphotericinum B; AMPH-B; Liposomal Amphotericin B; Amphotericin-B; Abelcet; Ambisome; Fungilin; Ampho-Moronal; UNII-7XU7A7DROE; Amphotec; Halizon; MFCD00877763; 7XU7A7DROE; NSC 527017; NCGC00090808-01; Abelecet; C47H73NO17; DSSTox_CID_2601; DSSTox_RID_76653; DSSTox_GSID_22601; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; Amphotericin B trihydrate; Amphortericin B; Anfotericine B; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; IAB; Fungisome; Amfotericina B [INN-Spanish]; Amphotericine B [INN-French]; Amphotericinum B [INN-Latin]; CCRIS 5963; HSDB 3008; Amphotericin B [USP:INN:JAN]; Fungizone (TN); Amphotec (TN); (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; AmBisome (TN); Amp B; CAS-1397-89-3; EINECS 215-742-2; NS 718; BRN 0078342; AI3-26528; Prestwick3_000410; Amphotericin B (85%); Amphotericin B solubilized; SCHEMBL17973; BSPBio_000340; 5-18-10-00525 (Beilstein Handbook Reference); BIDD:GT0351; BPBio1_000374; NKTR-024; Amphotericin B and cinnamon oil; DTXSID9022601; HMS2096A22; HMS3713A22; Amphotericin B (JP17/USP/INN); HY-B0221; Amphotericin B, Streptomyces nodosus; Tox21_111027; Tox21_202484; Amphotericin B from Streptomyces sp.; LMPK06000002; s1636; AKOS024464746; ZINC253387843; CCG-220410; DB00681; NCGC00260033-01; (1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E,25E,27E,29E,31E,33R*,35S*,36R*,37S*))-33-((3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; 14,39-Dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,2 7,29,31-heptaene-36-carboxylic acid, 33-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-(1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E, 25E-27E,29E,31E,33R*,35S*,36R*,37S*))-; AB00513832; C06573; D00203; J10140; AB00513832_02; 397A893; Q412223; 1397-89-3, C47H73NO17; Amphotericin B from Streptomyces sp., ~80% (HPLC), powder; Amphotericin B from Streptomyces sp., BioReagent, suitable for cell culture, ~80% (HPLC); Amphotericin B solubilized, powder, gamma-irradiated, BioXtra, suitable for cell culture; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-Amino-3,6-dideoxy- -D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-he; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-hept; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carbo; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-; 23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; Amphotericin B from Streptomyces sp., Vetec(TM) reagent grade, BioReagent, suitable for cell culture, ~80%; Amphotericin B solution, 250 mug/mL in deionized water, sterile-filtered, BioReagent, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00681	DR01468	DR2632	924.1	C47H73NO17	320	1670	0	65	12	18	3	"1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1"	C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	APKFDSVGJQXUKY-INPOYWNPSA-N
DG00573	Ivermectin	6321424	"IVERMECTIN; Ivermectin B1a; 70288-86-7; Dihydroavermectin B1a; 22,23-Dihydroavermectin B1a; avermectin H2B1a; 71827-03-7; UNII-91Y2202OUW; 70161-11-4; Ivermectin Component B1a; CHEBI:63941; 91Y2202OUW; (2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-Butan-2-Yl]-20,20b-Dihydroxy-5',6,8,19-Tetramethyl-17-Oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-Tetradecahydro-2h,7h-Spiro[11,15-Methanofuro[4,3,2-Pq][2,6]benzodioxacyclooctadecine-13,2'-Pyran]-7-Yl 2,6-Dideoxy-4-O-(2,6-Dideoxy-3-O-Methyl-Alpha-L-Arabino-Hexopyranosyl)-3-O-Methyl-Alpha-L-Arabino-Hexopyranoside; 5-O-demethyl-22,23-dihydroavermectin A1a; MK-933; (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one; C48H74O14 (B1a form); Ivermectin B1a-d2; C48H74O14; 22,23-Dihydroavermectin B(1)a; NCGC00163233-01; Ivermectin (IVM); IVM; EINECS 276-046-2; dihydro avermectin Bla; BRN 4643153; 22,23-Dihydro-5-O-demethylavermectin A1a; H2B1a; Prestwick3_000156; DSSTox_CID_3181; Ivermectin (MK-0933); DSSTox_RID_76909; DSSTox_GSID_23181; BSPBio_000292; SCHEMBL312795; BPBio1_000322; CHEMBL263291; DTXSID8023181; CHEBI:94551; HMS2089M09; HMS2095O14; HMS3712O14; WCA82703; Tox21_112034; BDBM50409816; MFCD00869511; s1351; AKOS027470116; ZINC238808778; ZINC252286706; AC-6014; CCG-220156; NCGC00186639-01; NCGC00186639-03; AS-14167; BI166167; CAS-71827-03-7; HY-126937; AB00513813; CS-0108408; J10179; 22,23-DIHYDROAVERMECTIN B1A; IVERMECTIN; AB00513813-02; AB00513813-03; AB00513813_04; Avermectin A1a, 22,23-dihydro-5-O-demethyl-; 288I867; Ivermectin, Antibiotic for Culture Media Use Only; Q-201262; BRD-K24652731-001-02-7; BRD-K85554912-001-08-9; Q27132923; Ivermectin, British Pharmacopoeia (BP) Reference Standard; Ivermectin, European Pharmacopoeia (EP) Reference Standard; UNII-8883YP2R6D component AZSNMRSAGSSBNP-XPNPUAGNSA-N; Ivermectin, United States Pharmacopeia (USP) Reference Standard; Ivermectin, Pharmaceutical Secondary Standard; Certified Reference Material; (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17; 22,23-Dihydroavermectin B1; ; ; Heartgard 30; ; ; Ivomec; ; ; Ivosint; ; ; Mectizan; ; ; Stromectol; ; ; Uvemec; ; ; Vermic; ; ; Zimecterin; clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63941	DB00602	DR00147	DR0899	875.1	C48H74O14	170	1680	4.1	62	3	14	8	"1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\\C)C	AZSNMRSAGSSBNP-XPNPUAGNSA-N
DG00574	Levedopa	6047	"Levodopa; L-dopa; 59-92-7; 3,4-dihydroxy-L-phenylalanine; 3-Hydroxy-L-tyrosine; Dopar; Bendopa; Larodopa; Levopa; Brocadopa; Cidandopa; Insulamina; Maipedopa; Dopaidan; Dopalina; Dopasol; Eldopal; Eldopar; Pardopa; Prodopa; Syndopa; 3-(3,4-Dihydroxyphenyl)-L-alanine; 3,4-Dihydroxyphenylalanine; (-)-Dopa; Dihydroxy-L-phenylalanine; Helfo-Dopa; Dopaflex; Deadopa; Dopal-fher; Doparkine; Dopaston; Dopastral; Eldopatec; Eurodopa; Doparl; Doprin; Veldopa; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; L-3,4-Dihydroxyphenylalanine; Levedopa; Levodopum; L-o-Hydroxytyrosine; Dopa; Ledopa; (-)-3-(3,4-Dihydroxyphenyl)-L-alanine; L-Tyrosine, 3-hydroxy-; 3,4-Dihydroxyphenyl-L-alanine; Dopaston SE; beta-(3,4-Dihydroxyphenyl)-L-alanine; L-(o-Dihydroxyphenyl)alanine; L-(-)-Dopa; L-3-Hydroxytyrosine; L-beta-(3,4-Dihydroxyphenyl)alanine; Weldopa; Parda; L-Dihydroxyphenylalanine; L-3-(3,4-Dihydroxyphenyl)alanine; C9H11NO4; Ro 4-6316; beta-(3,4-Dihydroxyphenyl)alanine; (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; alanine, 3-(3,4-dihydroxyphenyl)-, L-; component of Sinemet; Dopar (TN); CHEBI:15765; CVT-301; beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine; L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine; UNII-46627O600J; Alanine, 3-(3,4-dihydroxyphenyl)-, (-)-; L(-)-Dopa; (-)-(3,4-Dihydroxyphenyl)alanine; dihydroxyphenylalanine; MFCD00002598; L-3,4-Dihydrophenylalanine; L-.beta.-(3,4-Dihydroxyphenyl)alanine; CHEMBL1009; .beta.-(3,4-Dihydroxyphenyl)-L-alanine; L-(3,4-Dihydroxyphenyl)alanine; L-Tyrosine, 3-hydroxy-, homopolymer; NSC118381; .beta.-(3,4-Dihydroxyphenyl)alanine; NSC-118381; CAS-59-92-7; NCGC00016270-04; Biodopa; Cerepap; Laradopa; Sobiodopa; L-(3,4-Dihydroxyphenyl)-.alpha.-alanine; 46627O600J; Helfo DOPA; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; Atamet; Levodopum [INN-Latin]; BDBM50130192; L-O-Dihydroxyphenylalanine; L Dopa; 65170-01-6; CCRIS 3766; HSDB 3348; WLN: QVYZ1R CQ DQ; 3,4-Dihydroxyphenylalanine (VAN); SR-01000075384; EINECS 200-445-2; NSC 118381; Dopastone; Dopicar; Inbrija; Prolopa; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Prestwick_185; Levodopa (Sinemet); L-DOPA; Levodopa; Madopa (Salt/Mix); Levodopa [USAN:USP:INN:BAN:JAN]; Spectrum_000454; 4-dihydroxyphenylalanine; Carbidopa EP Impurity A; Prestwick0_000017; Prestwick1_000017; Prestwick2_000017; Prestwick3_000017; Spectrum2_000496; Spectrum4_000539; Spectrum5_001899; Lopac-D-9628; Levodopa (JP15/USP); DSSTox_CID_3209; bmse000322; Epitope ID:150927; 3, 4-Dihydroxyphenylalanine; Alanine,4-dihydroxyphenyl)-; DSSTox_RID_76926; DSSTox_GSID_23209; Lopac0_000454; SCHEMBL22655; BSPBio_000053; BSPBio_002354; KBioGR_001177; KBioSS_000934; L-4-5-Dihydroxyphenylalanine; MLS000028514; BIDD:GT0158; DivK1c_000452; SPECTRUM2300205; Levodopa (JP17/USP/INN); SPBio_000391; SPBio_001974; BPBio1_000059; GTPL3639; b-(3,4-Dihydroxyphenyl)alanine; DTXSID9023209; WLN: QVYZ1R CQ DQ -L; 3, 4-Dihydroxy-L-phenylalanine; BDBM60928; HMS501G14; KBio1_000452; KBio2_000934; KBio2_003502; KBio2_006070; Alanine,4-dihydroxyphenyl)-, L-; L-(3, 4-Dihydroxyphenyl)alanine; NINDS_000452; 3-Ethoxy-4-fluorophenylboronicacid; HMS1568C15; HMS1922J14; HMS2090O08; HMS2093N04; HMS2095C15; HMS2230B04; HMS3261K10; HMS3712C15; Pharmakon1600-02300205; ZINC895199; H-Phe{3,4-(OH)2}-OH; HY-N0304; Levodopa;3,4-Dihydroxyphenylalanine; b-(3,4-Dihydroxyphenyl)-L-alanine; Inbrija (levodopa inhalation powder); Tox21_110338; Tox21_500454; CCG-39571; L-3-(3,4-dihydroxy-phenyl)alanine; L-3-(3,4-dihydroxyphenyl)-Alanine; NSC759573; PDSP1_001541; PDSP2_001525; s1726; Alanine, 3-(3,4-dihydroxyphenyl)-; Alanine,4-dihydroxyphenyl)-, (-)-; AKOS010396267; b-(3,4-Dihydroxyphenyl)-a-L-alanine; L-b-(3,4-Dihydroxyphenyl)-a-alanine; .beta.-(3, 4-Dihydroxyphenyl)alanine; AC-8432; AM82124; CS-1945; DB01235; LP00454; MCULE-4743781842; NSC-759573; SDCCGMLS-0066924.P001; SDCCGSBI-0050439.P004; IDI1_000452; NCGC00015384-01; NCGC00016270-01; NCGC00016270-06; NCGC00016270-07; NCGC00016270-09; NCGC00016270-10; NCGC00016270-22; NCGC00093869-04; NCGC00261139-01; AS-13287; BP-12850; H813; SMR000058312; SBI-0050439.P003; L-(3, 4-Dihydroxyphenyl)-.alpha.-alanine; D0600; D9628; EU-0100454; N1648; 59L927; Alanine, 3-(3, 4-dihydroxyphenyl)-, (-)-; C00355; D 9628; D00059; D70595; J10404; V-1512; 3,4-Dihydroxy-L-phenylalanine, >=98% (TLC); AB00052418-06; AB00052418-07; AB00052418_08; AB00052418_09; A832543; Q300989; Q-201294; SR-01000075384-1; SR-01000075384-4; SR-01000075384-6; SR-01000075384-7; (S)-2-Amino-3-(3,4-dihydroxy-phenyl)-propionic acid; F0347-4695; Levodopa, British Pharmacopoeia (BP) Reference Standard; Levodopa, European Pharmacopoeia (EP) Reference Standard; Z1762772338; (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acidL-dopa; UNII-QI9C343R60 component WTDRDQBEARUVNC-LURJTMIESA-N; 1E83F927-C221-46AA-B90A-81B33C5F3868; 3,4-Dihydroxy-L-phenylalanine, Vetec(TM) reagent grade, 98%; Levodopa, United States Pharmacopeia (USP) Reference Standard; 3,4-Dihydroxy-L-phenylalanine, certified reference material, TraceCERT(R); Levodopa, Pharmaceutical Secondary Standard; Certified Reference Material; 122769-74-8; L-Methyldopa ; (2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 3-(3,4-Dihydroxyphenyl)- -methyl-L-alanine; 3-Hydroxy-a-methyl-L-tyrosine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01235	DR00125	DR0939	197.19	C9H11NO4	104	209	-2.7	14	4	5	3	"1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1"	C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O	WTDRDQBEARUVNC-LURJTMIESA-N
DG00575	Metronidazole	4173	"Metronidazole; 443-48-1; Flagyl; Metronidazol; 2-Methyl-5-nitroimidazole-1-ethanol; Anagiardil; Gineflavir; Trichazol; MetroGel; Bayer 5360; Deflamon; Meronidal; Metronidaz; Novonidazol; Trichopol; Trivazol; Danizol; Mexibol; Orvagil; Vagilen; Clont; Flagemona; Giatricol; Metronidazolo; Sanatrichom; Takimetol; Trichocide; Trichomol; Trikacide; Acromona; Atrivyl; Efloran; Entizol; Flagesol; Monagyl; Monasin; Trichex; Tricocet; Trikamon; Trikojol; Trikozol; Trimeks; Vagimid; Vertisal; Wagitran; Arilin; Bexon; Elyzol; Eumin; Flagil; Klion; Klont; Nalox; Tricom; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol; neo-Tric; Tricowas B; Deflamon-wirkstoff; Protostat; Satric; MetroCream; MetroLotion; MetroGel-Vaginal; CONT; NIDA; Methronidazole; Metromidol; Trichopal; Flegyl; Fossyol; 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-; Flagyl Er; Metronidazolum; Metro I.V.; Metrolyl; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol; Metric 21; Trichomonacid 'pharmachim'; 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole; RP 8823; NSC-50364; Metronidazole in Plastic Container; 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole; 2-Methyl-3-(2-hydroxyethyl)-4-nitroimidazole; SC 10295; 1-(beta-Ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol; MFCD00009750; 1-(beta-Hydroxyethyl)-2-methyl-5-nitroimidazole; 1-Hydroxyethyl-2-methyl-5-nitroimidazole; Imidazole-1-ethanol, 2-methyl-5-nitro-; FLAGYL I.V. RTU IN PLASTIC CONTAINER; 1-(beta-Oxyethyl)-2-methyl-5-nitroimidazole; NSC 50364; UNII-140QMO216E; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol; BAY-5360; NSC69587; Noritate; MLS000028590; CHEBI:6909; 140QMO216E; Metro Gel; NSC50364; NSC-69587; NCGC00016446-06; CAS-443-48-1; Metrolag; Metrotop; Rathimed; SMR000058175; Vandazole; Zadstat; Tricho cordes; DSSTox_CID_892; Metronidazolo [DCIT]; Tricho-gynaedron; DSSTox_RID_75848; DSSTox_GSID_20892; Mexibol 'silanes'; Metro I.V. In Plastic Container; 1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole; Metronidazol [INN-Spanish]; Metronidazolum [INN-Latin]; Flagyl I.V. RTU; Flagyl 375; Trichobrol; Florazole; Mepagyl; Nidagyl; Rosased; Zidoval; Caswell No. 579AA; WLN: T5N CNJ A2Q B1 ENW; Noritate (TN); CCRIS 410; Metro cream & gel; Flagyl (TN); HSDB 3129; WLN: T6NTJ DQ ANU1- ET5N CNJ A1 BNW; SR-01000000244; EINECS 207-136-1; NSC 69587; EPA Pesticide Chemical Code 120401; BRN 0611683; Polibiotic; Trikhopol; Donnan; Flazol; CB-01-14 MMX; Metro IV; Vandazole (TN); Metronidazole,(S); Prestwick_334; Nuvessa (TN); IDR-90105; Cimetrol 500LPCI; Metronidazole solution; RP-8823; Metronidazole, BioXtra; Metronidazole (Flagyl); Spectrum_001035; Metronidazole [USAN:USP:INN:BAN:JAN]; HELIDAC (Salt/Mix); 2-(2-methyl-5-nitroimidazolyl)ethan-1-ol; Maybridge1_001999; Opera_ID_1585; Prestwick0_000081; Prestwick1_000081; Prestwick2_000081; Prestwick3_000081; Spectrum2_000883; Spectrum3_000506; Spectrum4_000060; Spectrum5_001289; M0924; CHEMBL137; NCIOpen2_000337; SCHEMBL23042; BSPBio_000002; BSPBio_002031; KBioGR_000559; KBioSS_001515; 5-23-05-00063 (Beilstein Handbook Reference); MLS000758286; MLS001424018; BIDD:GT0107; DivK1c_000007; SPECTRUM1500412; SPBio_000666; SPBio_001941; BAYER-5360; BPBio1_000004; DTXSID2020892; Flagyl I.V. RTU (Salt/Mix); BCBcMAP01_000184; GTPL10914; HMS500A09; HMS547C19; KBio1_000007; KBio2_001515; KBio2_004083; KBio2_006651; KBio3_001531; Metronidazole (JP17/USP/INN); Metronidazole, analytical standard; NINDS_000007; HMS1568A04; HMS1920N19; HMS2051G07; HMS2090B19; HMS2091F14; HMS2095A04; HMS2231E11; HMS3373O05; HMS3393G07; HMS3655E22; HMS3712A04; Pharmakon1600-01500412; ZINC113442; BCP13757; HY-B0318; Tox21_110441; Tox21_202413; Tox21_302794; BBL005452; BDBM50375309; CCG-40016; FP-250; NSC757118; s1907; STK177359; Metronidazole 2.0 mg/ml in Methanol; AKOS000269646; AKOS005169650; Tox21_110441_1; DB00916; KS-5140; MCULE-6891596695; NC00020; NSC-757118; IDI1_000007; SMP1_000189; NCGC00016446-01; NCGC00016446-02; NCGC00016446-03; NCGC00016446-04; NCGC00016446-05; NCGC00016446-07; NCGC00016446-08; NCGC00016446-09; NCGC00016446-11; NCGC00016446-12; NCGC00016446-17; NCGC00022059-03; NCGC00022059-04; NCGC00022059-05; NCGC00256513-01; NCGC00259962-01; AC-23968; SY002821; SBI-0051447.P003; DB-051212; Metronidazole, SAJ first grade, >=99.0%; AB00052046; BB 0218386; FT-0603394; SW196613-4; C07203; D00409; AB00052046-17; AB00052046_18; AB00052046_19; A826552; Metronidazole, VETRANAL(TM), analytical standard; Q169569; 2-(2-methyl-5-nitro-1H-imidazol-1-yl)-1-ethanol; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol #; Metronidazole, Antibiotic for Culture Media Use Only; Q-201403; SR-01000000244-4; SR-01000000244-5; BRD-K52020312-001-05-2; BRD-K52020312-001-15-1; Z87001124; F1773-0073; Metronidazole, certified reference material, TraceCERT(R); Metronidazole, British Pharmacopoeia (BP) Reference Standard; Metronidazole, European Pharmacopoeia (EP) Reference Standard; Metronidazole, United States Pharmacopeia (USP) Reference Standard; Metronidazole solution, 2.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Metronidazole, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6909	DB00916	.	DR1073	171.15	C6H9N3O3	83.9	170	0	12	1	4	2	"1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3"	CC1=NC=C(N1CCO)[N+](=O)[O-]	VAOCPAMSLUNLGC-UHFFFAOYSA-N
DG00576	Amprenavir	65016	"Amprenavir; 161814-49-9; Agenerase; Prozei; VX-478; 141W94; Amprenavir (agenerase); KVX-478; VX 478; UNII-5S0W860XNR; CHEBI:40050; (3S)-Tetrahydro-3-furanyl ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamate; 5S0W860XNR; Vertex VX478; AMV; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester; 141 W94; (3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate; [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER; DRG-0258; Agenerase (TM); Agenerase (TN); (S)-tetrahydrofuran-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; [(3S)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate; GNA & Amprenavir; HHA & Amprenavir; HSDB 7157; Amprenavir (JAN/USAN/INN); Amprenavir [USAN:INN:BAN]; Tetrahydro-3-furyl N-(3-(4-amino-N-isobutylbenzenesulfonamido)-1-benzyl-2-hydroxypropyl)carbamate; 1hpv; 3ekp; 3ekv; 3nuj; 3nuo; VX478; NCGC00159461-02; (3S-(3R*(1R*,2S*)))-(3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl) tetrahydro-3-furanyl carbamate; 1t7j; 3nu3; 3nu4; 3nu5; 3nu6; 3nu9; 3sm2; APV & AAG; APV & HSA; CHEMBL116; SCHEMBL34151; (3S)-Tetrahydro-3-furyl ((alphaS)-alpha-((1R-1-hydroxy-2-(N(sup 1)-isobutylsulfanilamido)ethyl)phenethyl)carbamate; MLS006011492; BIDD:GT0398; Amprenavir & human serum albumin; J05AE05; 3s43; 3s45; HMS2090N10; ZINC3809192; BDBM50215393; MFCD00934214; s1639; Amprenavir & alpha1-acid glycoprotein; AKOS000280844; AM84544; BCP9000297; CCG-269742; CS-1410; DB00701; MCULE-8147835017; NCGC00159461-07; NCGC00159461-08; (3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate; 4-Amino-N-((2 syn,3S)-2-hydroxy-4-phenyl-3-((S)-tetrahydrofuran-3-yloxycarbonylamino)-butyl)-N-isobutyl-benzenesulfonamide; Amprenavir 100 microg/mL in Acetonitrile; AS-30915; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester & Galanthus nivalis agglutinin (GNA); Carbamic acid, (3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, tetrahydro-3-furanyl ester, (3S-(3R*(1S*,2R*)))-; Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-3-furanyl ester; HY-17430; SMR003885056; BCP0726000051; SW219687-1; C08086; D00894; AB01275534-01; AB01275534_02; 814A499; A810295; Q422198; SR-05000001530; SR-05000001530-1; Z1557399789; (3S)-tetrahydrofuran-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-1-benzyl-2-hydroxypropyl]carbamate; (3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate; Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester & Hippeastrum hybrid agglutinin( HHA); Carbamic acid,[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-,(3S)-tetrahydro-3-furanyl ester; N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3S)-3-oxolanyl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40050	DB00701	DR00584	DR0107	505.6	C25H35N3O6S	140	745	2.9	35	3	8	12	"1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1"	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N	YMARZQAQMVYCKC-OEMFJLHTSA-N
DG00577	Ritonavir	392622	"Ritonavir; 155213-67-5; Norvir; ABT-538; Abbott 84538; A-84538; ABBOTT-84538; ABT 538; RTV; UNII-O3J8G9O825; CHEBI:45409; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; O3J8G9O825; MFCD00927142; NSC693184; NSC-693184; 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-; thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate; NCGC00159462-02; NCGC00183130-01; Norvir Softgel; DSSTox_CID_28553; DSSTox_RID_82825; DSSTox_GSID_48627; N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; RIT; ABT538; DRG-0244; 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-; SMR000466395; thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate; thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate; Norvir (TM); Norvir (TN); CAS-155213-67-5; HSDB 7160; 1,3-Thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate; Ritonavirum; TMC 114r; Empetus; Ritomune; Ritovir; Viekirax; Viriton; 1hxw; 3prs; 3tne; 4eyr; Ritonavir [USAN:USP:INN:BAN]; Ritonavir- Bio-X; 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-; Ritonavir & PLGA; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 1sh9; Abbot 84538; CHEMBL163; SCHEMBL6679; Ritonavir (JAN/USP/INN); BIDD:PXR0023; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; MLS000759541; MLS001424063; MLS006011764; BIDD:GT0387; GTPL8804; DTXSID1048627; Ritonavir, >=98% (HPLC); AOB1044; HMS2051B08; HMS2235O10; HMS3715L22; Pharmakon1600-01502391; Ritonavir related compounds mixture; ZINC3944422; Tox21_112969; Tox21_113431; AC-733; BDBM50088504; NSC760369; s1185; STK634209; AKOS000280930; Ritonavir & Poly-lactide-co-glycolide; Tox21_112969_1; CCG-101007; CS-0432; DB00503; KS-5017; MCULE-9029064305; NC00257; NSC 693184; NSC 760369; NSC-760369; MRF-0000287; NCGC00159462-03; NCGC00159462-04; NCGC00159462-07; NCGC00159462-20; Ritonavir 100 microg/mL in Acetonitrile; BR164353; HY-90001; MLS000759541-02; R0116; SW197637-2; C07240; D00427; AB00639991-06; AB00639991-08; AB00639991_09; AB00639991_10; 213R675; A 84538; A904691; Q422618; J-009178; BRD-K51485625-001-07-6; Ritonavir solution, 1.0 mg/mL in acetonitrile, certified reference material; (2S, 3S, 5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinvl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S )-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl) methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-MethyI-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino )-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3hydroxyhexane; (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate; 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate; N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; N1-((1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl)-N2-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}-L-valinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45409	DB00503	DR00332	DR1430	720.9	C37H48N6O5S2	202	1040	6	50	4	9	18	"1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1"	CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O	NCDNCNXCDXHOMX-XGKFQTDJSA-N
DG00578	Tenofovir disoproxil fumarate	6398764	"Tenofovir Disoproxil Fumarate; 202138-50-9; Viread; Tenofovir DF; UNII-OTT9J7900I; OTT9J7900I; Tenofovir Disoproxil (fumarate); Tenofovir (Disoproxil Fumarate); GS-4331-05; CHEBI:63718; GSK-548470; 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate; (R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate fumarate; 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1); Tenofovir Disoproxil Fumarate; (2E)-but-2-enedioic acid bis({[(propan-2-yloxy)carbonyl]oxy}methyl) {[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methanephosphonate; [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid; HSDB 7165; Tenofovirdisoproxilfumarate; C19H30N5O10P.C4H4O4; Tenofovir Disoproxil Fumarate [USAN]; Virea; GS 4331-05; GSK548470; Viread (TN); PMPA-PRODRUG; tenofovir-disoproxil-fumarate; CHEMBL1486; SCHEMBL40021; Tenofoviri disoproxili fumaras; MLS004774141; GS-1278 Disoproxil Fumarate; SCHEMBL2670560; AOB5580; EX-A590; s1400; Tenofovir disoproxil fumarate- Bio-X; AKOS016340707; AKOS025149493; CCG-270300; CS-1346; GS-US-104-0321; KS-1246; 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, fumarate; (R)-5-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis(1-methylethyl) ester, 5-oxide, (E)-2-butenedioate (1:1); 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate (1:1); Bis(hydroxymethyl) (((R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonate, bis(isopropyl carbonate) (ester), fumarate (1:1); BT164457; HY-13782; SMR003500786; Tenofovir disoproxil fumarate (JAN/USAN); BCP0726000258; AM20090676; V1698; GS-4331-05-; D01982; Tenofovir disoproxil fumarate, >=98% (HPLC); Q-201788; Q27132754; [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate; fumaric acid; 9-[(R)-2[[bis[[(isopropoxycarbonyl)oxy]methoxy]phosphinyl]methoxy]propyl]adenine fumarate (1:1); bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate (2E)-but-2-enedioate; Tenofovir disoproxil fumarate, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63718	DB00300	.	DR1554	635.5	C23H34N5O14P	260	817	.	43	3	18	19	"1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1"	C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\\C(=O)O	VCMJCVGFSROFHV-WZGZYPNHSA-N
DG00579	Carbobenzoxy (Z)-D-Phe-L-Phe-Gly	474878	"75539-79-6; Carbobenzoxyphenylalanyl-phenylalanyl-glycine; Z-D-Phe-Phe-Gly-OH; 2-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]acetic acid; Cbz-phe-phe-gly; Z-Phe-phe-gly; Carbobenzoxy-phe-phe-gly; N-CBZ-D-PHE-PHE-GLY; Benzyloxycarbonyl-phe-phe-gly; Virus replication inhibitory peptide ppg; Z-D-Phe-L-Phe-Gly; Carbobenzoxy-D-Phe-L-Phe-Gly; SCHEMBL10521480; DTXSID00997002; ZINC4537280; Glycine, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-L-phenylalanyl-; MFCD00063351; carbobenzoxy-d-phenylalanyl-l-phenylalanylglycine; A811423; Glycine, N-(N-(N-((phenylmethoxy)carbonyl)-D-phenylalanyl)-L-phenylalanyl)-; 2-[[(2S)-1-oxo-2-[[(2R)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropyl]amino]acetic acid; 2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetic acid; 2-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]ethanoic acid; N-{2-[(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}glycine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	503.5	C28H29N3O6	134	742	3.3	37	4	6	13	"1S/C28H29N3O6/c32-25(33)18-29-26(34)23(16-20-10-4-1-5-11-20)30-27(35)24(17-21-12-6-2-7-13-21)31-28(36)37-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,34)(H,30,35)(H,31,36)(H,32,33)/t23-,24+/m0/s1"	C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3	ZSOSVHOISBSKID-BJKOFHAPSA-N
DG00580	Bromocriptine	31101	"Bromocriptine; Bromocryptine; 25614-03-3; Bromocriptin; Bromoergocryptine; Bromoergocriptine; Bromergocryptine; 2-Bromo-alpha-ergocryptine; Parlodel; 2-Bromo-alpha-ergokryptine; Bromocriptina; Bromocriptinum; 2-Bromo-alpha-ergokryptin; Bromocriptinum [INN-Latin]; Bromocriptina [INN-Spanish]; Bagren; Bromocriptine methanesulfonate; UNII-3A64E3G5ZO; CB-154; 2-Bromoergocryptine; Ergocryptine, 2-bromo-; 3A64E3G5ZO; CHEBI:3181; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)-; Ergoset; Bromergon; CB 154; 22260-51-1; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman; 2-Bromo-.alpha.-ergocryptine; Bromocriptine (mesylate); C32H40BrN5O5; CCRIS 3244; NSC169774; EINECS 247-128-5; Bromocriptine (USAN/INN); SR-01000075356; Bromocriptine [USAN:INN:BAN]; NCGC00024584-03; 08Y; 2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotamin-3',6',18-trione; Bromocriptine+ (GTP-); Prestwick0_000121; Prestwick1_000121; Prestwick2_000121; Carboprost Methylate,(S); DSSTox_CID_2687; Biomol-NT_000005; CHEMBL493; GTPL35; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; DSSTox_RID_76692; DSSTox_GSID_22687; Lopac0_000171; SCHEMBL25297; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; BIDD:GT0464; SPBio_002101; BPBio1_001131; DTXSID1022687; SANDOZ 15-754; BDBM81993; Ergocryptine, 2-bromo- (8CI); Tox21_110907; PDSP2_001500; ZINC53683151; AKOS015961273; CCG-204266; DB01200; SDCCGSBI-0050159.P003; dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo; NCGC00024584-04; NCGC00024584-05; NCGC00024584-07; NCGC00024584-09; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman; (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide; AC-13601; NCI60_001365; 10b-hydroxy-5-isobutyl-2-isopropyl-3,6-; CAS-25614-03-3; C06856; D03165; hexahydroindolo[4,3-fg]quinoline-9-carboxamide; Q413581; J-016067; SR-01000075356-5; (6aR,9R)-5-bromo-N-((2R,5S,10aS,10bS)-; [2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-; BRD-K14496212-001-01-1; BRD-K14496212-066-04-8; (4R,7R)-10-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide; (5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; N-[(2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[ ]]pyrrolo[[ ]]pyrazin-2-yl]-bromo-methyl-[ ]carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3181	DB01200	DR00550	.	654.6	C32H40BrN5O5	118	1230	3.8	43	3	6	5	"1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1"	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O	OZVBMTJYIDMWIL-AYFBDAFISA-N
DG00581	TAS-120	71621331	"Futibatinib; TAS-120; 1448169-71-8; FGFR-IN-1; TAS120; UNII-4B93MGE4AL; 4B93MGE4AL; TAS 120; 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]-2-propen-1-one; 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one; 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one; Futibatinib [USAN]; Futibatinib (JAN/USAN/INN); GTPL9786; CHEMBL3701238; SCHEMBL15345470; TAS 120 [WHO-DD]; BDBM161389; AMY16930; BCP17213; EX-A1862; NSC813488; WHO 10879; ZINC207800318; CS-6031; DB15149; Example 2 [WO2013108809]; NSC-813488; (S)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one; BS-15425; HY-100818; D11725; D77976; US9108973, 2; 2-Propen-1-one, 1-((3S)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-pyrrolidinyl)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB15149	.	.	418.4	C22H22N6O3	108	723	2	31	1	7	6	"1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1"	COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)[C@H]4CCN(C4)C(=O)C=C)OC	KEIPNCCJPRMIAX-HNNXBMFYSA-N
DG00582	Bimatoprost	5311027	"Bimatoprost; 155206-00-1; Lumigan; Latisse; AGN 192024; UNII-QXS94885MZ; AGN-192024; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide; QXS94885MZ; CHEBI:51230; (Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide; (E)-7-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide; bimatoprostum; Prostamide; (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide; (5z)-7-{(1r,2r,3r,5s)-3,5-Dihydroxy-2-[(1e,3s)-3-Hydroxy-5-Phenylpent-1-Enyl]cyclopentyl}-N-Ethylhept-5-Enamide; Lumigan (TN); (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide; Bimatoprost [USAN:INN:BAN:JAN]; Latisse (TN); LS-181817; SCHEMBL24425; 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydrdoxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-; MLS006010039; US9271961, Bimatoprost; Bimatoprost (JAN/USAN/INN); GTPL1958; CHEMBL1200963; DTXSID30895042; BDBM220120; EX-A1769; HY-B0191; ZINC4474405; MFCD03411999; AKOS015995566; AM84507; DB00905; NCGC00181745-01; NCGC00181745-03; 5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-; 5-Heptenamide, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (1R-1(alpha(Z),2beta(1E,3S*)3alpha,5alpha))-; AS-35082; M052; SMR000058996; D02724; 206B001; SR-01000942224; Q2393348; SR-01000942224-1; 17-PHENYL TRINOR PROSTAGLANDIN F2ALPHA ETHYL AMIDE; 17-Phenyl-tri-norprostaglandin F2alpha-ethyl amide, >=95%, solid; 15M; 5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-, (5Z)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51230	DB00905	.	DR0213	415.6	C25H37NO4	89.8	541	2.8	30	4	4	12	"1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1"	CCNC(=O)CCC/C=C\\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O	AQOKCDNYWBIDND-FTOWTWDKSA-N
DG00583	Latanoprost	5311221	"Latanoprost; 130209-82-4; Xalatan; PhXA41; PHXA-41; PhXA 41; XA41; UNII-6Z5B6HVF6O; propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; Isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R)-3-hydroxy-5-phenylpentyl)cyclopentyl)-5-heptenoate; 6Z5B6HVF6O; Latanoprost, ethanol solution; latanoprost (isopropyl ester); CHEBI:6384; propan-2-yl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate; MFCD00216074; XA-41; T-2345; 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-; isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinorprost-5-en-1-oate; Catioprost; (Z)-isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate; SMR000466354; Xalatan (TN); latanoprostum; Nova-21027; Latanoprost [USAN:INN:BAN]; XA 41; PhXA34 [as 15(R,S)-isomer]; propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; AR-202; L-PPDS; Latanoprost, (+/-)-; CHEMBL1051; SCHEMBL24698; MLS000759468; MLS001424106; Latanoprost (JAN/USP/INN); GTPL1961; DTXSID1041057; HMS2051H11; HMS2089J17; HMS3715N22; AMY30089; EX-A1770; HY-B0577; BDBM50240648; s4709; ZINC12468792; Latanoprost, >=98% (HPLC), oil; AKOS024458331; CCG-100946; DB00654; NC00196; NCGC00246969-01; NCGC00246969-06; (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptanoic acid 1-methylethyl ester; AS-75099; Isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinor-prost-5-en-1-oate; L0262; D00356; AB00640005-04; AB00640005-06; 209L824; A806039; Q634959; SR-01000759428; J-005764; SR-01000759428-4; UNII-8S5FB3XXG8 component GGXICVAJURFBLW-CEYXHVGTSA-N; Latanoprost, United States Pharmacopeia (USP) Reference Standard; Tris(2,4-dimethylphenyl)phosphine-5,5',5''''-trisulfonic acid trisodium salt; (1R,2R,3R,5S,3''R)-7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)-cyclopentyl]-hept-5-enoic acid isopropyl ester; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester; 155551-81-8; 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester; 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1-alpha(Z),2-beta(R*),3-alpha,5-alpha))-; Isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate; propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6384	DB00654	.	.	432.6	C26H40O5	87	526	4.3	31	3	5	14	"1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1"	CC(C)OC(=O)CCC/C=C\\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O	GGXICVAJURFBLW-CEYXHVGTSA-N
DG00584	Dasabuvir	56640146	"Dasabuvir; 1132935-63-7; ABT-333; N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; exviera; ABT333; Dasabuvir (ABT-333); UNII-DE54EQW8T1; CHEBI:85182; ABT 333; Dasabuvir sodium monohydrate; DE54EQW8T1; N-(6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide; N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide; C26H27N3O5S; Dasabuvir [INN]; Dasabuvir [USAN:INN]; Dasabuvir(ABT-333); Dasabuvir (USAN/INN); EC 805-439-9; SCHEMBL351053; CHEMBL3137312; GTPL11270; AMY6937; EX-A432; BCP09324; BDBM50549803; MFCD27923655; s5402; ZINC95616937; AKOS022178299; CCG-269640; DB09183; SB16833; NCGC00378604-01; NCGC00378604-04; AC-28957; AM808018; AS-55916; DA-35359; HY-13998; Methanesulfonamide, N-(6-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)-2-naphthalenyl)-; N-(6-(3-(tert-butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)met; FT-0726471; Y1902; D10553; A894448; Q19462214; ABT 333; ; ; N-[6-[3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide; N-(6-(3-tert-butyl-5(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2, 4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-(6-(3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide; N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-phenyl]-2-naphthyl]methanesulfonamide; Sodium 3-(3-tert-butyl-4-methoxy-5-{6- [(methylsulfonyl)amino]naphthalene-2-yl}phenyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ide hydrate (1:1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85182	DB09183	DR01289	DR0422	493.6	C26H27N3O5S	113	938	4.3	35	2	6	6	"1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)"	CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O	NBRBXGKOEOGLOI-UHFFFAOYSA-N
DG00585	Sofosbuvir	45375808	"SOFOSBUVIR; PSI-7977; 1190307-88-0; SOVALDI; GS-7977; PSI 7977; UNII-WJ6CA3ZU8B; GS7977; WJ6CA3ZU8B; CHEBI:85083; GS 7977; propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; Sofosbuvir [USAN:INN]; C22H29FN3O9P; Hepcinat; Hepcvir; Resof; SoviHep; HSDB 8226; PSI7977; Sovaldi (TN); Sofosbuvir (JAN/USAN); Sofosbuvir(PSI-7977); Sofosbuvir (GS-7977); 2-((5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy)phenoxyphosphorylamino)propionic acid isopropyl ester; GTPL7368; SCHEMBL2010114; SofosbuvirPSI7977GS-7977; CHEMBL1259059; AMMD00019; EX-A389; (S)-isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; isopropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate; s2794; AKOS024464753; ZINC100074252; AM84279; CCG-269909; CS-0554; DB08934; GI 7977; GI-7977; Sofosbuvir (PSI-7977, GS-7977); Sofosbuvir (PSI-7977; GS-7977); BS165550; HY-15005; SW219116-1; D10366; Q2502747; (S)-2-{[(1R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-(R)-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy]phenoxyphosphorylamino}propionic acid (S)-isopropyl ester; (S)-Isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-h; (S)-Isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate; isopropyl ((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate; isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; S)-Isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)- (phenoxy)phosphorylamino)propanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85083	DB08934	DR00372	DR1495	529.5	C22H29FN3O9P	153	913	1	36	3	11	11	"1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1"	C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3	TTZHDVOVKQGIBA-IQWMDFIBSA-N
DG00586	Corticosteroids	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00587	Penicillin V	6869	"Penicillin v; Phenoxymethylpenicillin; Oracillin; Penicillin phenoxymethyl; 87-08-1; Phenomycilline; Fenospen; Phenoxymethyl penicillin; V-Cillin; Vebecillin; Distaquaine V; Beromycin; Phenoxymethylenepenicillinic acid; Phenoximethylpenicillinum; Phenoxymethylpenicillinum; Fenoximetilpenicilina; Pen-V; phenoxymethylpenicillinic acid; Phenoxymethylpenicilline; Phenopenicillin; 6-Phenoxyacetamidopenicillanic acid; Penapar-Vk; Meropenin; Fenossimetilpenicillina [DCIT]; phenoxomethylpenicillin; Phenocillin; Stabicillin; Fenacilin; Oratren; Apopen; Ospen; Fenoximetilpenicilina [INN-Spanish]; Eskacillian V; V-Tablopen; Pen-vee; Acipen V; Pen-Oral; V-Cyline; Penicillin-Vk; V-Cil; Betapen-VK; Beepen-VK; Veetids; UNII-Z61I075U2W; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; CHEBI:27446; Calcipen; Rocilin; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Compocillin V; Eskacillin V; Crystapen V; V-Cylina; Phenoxymethylpenicillin (INN); (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID; Z61I075U2W; P-Mega-Tablinen; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; PNV; Fenossimetilpenicillina; Phenoxymethylpenicillin [INN]; Penicillanic acid, 6-phenoxyacetamido-; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(phenyloxy)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Phenoxymethylpenicilline [INN-French]; Phenoxymethylpenicillinum [INN-Latin]; CCRIS 752; V-Cillin (TN); Penicillin V (USP); HSDB 6314; phenoxomethylpenicillanyl; phenoxymethylpenicillanyl; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-; EINECS 201-722-0; BRN 0096259; Penicillin V [USAN:USP]; Phenoxymethylpenicillinic acid potassium salt; PENICILLINV; penicillin-v-potassium; 3,3-Dimethyl-7-oxo-6-((phenyloxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-; PC Pen VK; Spectrum_001007; Spectrum2_000495; Spectrum3_000543; Spectrum4_000472; Spectrum5_001409; CHEMBL615; Epitope ID:115011; Epitope ID:116056; SCHEMBL49223; BSPBio_002185; KBioGR_000944; KBioSS_001487; 4-27-00-05884 (Beilstein Handbook Reference); MLS001304105; DivK1c_000779; SPBio_000389; DTXSID3023429; SCHEMBL22099709; CHEBI:53706; GTPL10920; KBio1_000779; KBio2_001487; KBio2_004055; KBio2_006623; KBio3_001685; NINDS_000779; ZINC3831282; 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid; BDBM50370584; 3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN); AKOS015969737; DB00417; IDI1_000779; SMR000539431; SBI-0051477.P003; AB00514745; C08126; D05411; Q422215; W-109316; BRD-K43966364-237-02-2; BRD-K43966364-237-03-0; Phenoxymethylpenicillin 100 microg/mL in Acetonitrile; 6beta-Phenoxyacetamido-2,2-dimethylpenam-3alpha-carboxylic acid; Phenoxymethylpenicillin, Antibiotic for Culture Media Use Only; Penicillin V, United States Pharmacopeia (USP) Reference Standard; Phenoxymethylpenicillin, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27446	DB00417	DR00868	.	350.4	C16H18N2O5S	121	547	2.1	24	2	6	5	"1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	BPLBGHOLXOTWMN-MBNYWOFBSA-N
DG00588	Foscarnet	3415	"Foscarnet; Phosphonoformic acid; Phosphonoformate; Carboxyphosphonic acid; 4428-95-9; Foscarmet; phosphonocarboxylic acid; Dihydroxyphosphinecarboxylic acid oxide; UNII-364P9RVW4X; phosphonomethanoic acid; CHEMBL666; 364P9RVW4X; CHEBI:127780; dihydroxyphosphanecarboxylic acid oxide; Phgosphonocarboxylic acid; NSC313410; Formic acid, phosphono-; Forscarnet; Phosphinecarboxylic acid, dihydroxy-, oxide; HSDB 8122; 1nki; J05AD01; Foscarnet (PFA); Spectrum_001359; PFA & rIFN.alpha.A; Spectrum2_000668; Spectrum3_001484; Spectrum4_000840; Spectrum5_000932; phosphonoformic acid(PFA); MSL & PFA; Phosphono-formic acid(PFA); hydroxycarbonylphosphonic acid; SCHEMBL23633; BSPBio_003067; Foscarnet & IFN-.ALPHA.; KBioGR_001419; KBioSS_001839; DivK1c_000915; SPBio_000735; GTPL5497; DTXSID0048478; KBio1_000915; KBio2_001839; KBio2_004407; KBio2_006975; KBio3_002567; NINDS_000915; ZINC8101109; BDBM50011181; Phosphonoformic acid & IFN-.ALPHA.; AKOS006281397; DB00529; IDI1_000915; Phosphonoformic acid trisodium salt hexa; (PFA)dihydroxyphosphinecarboxylic acid oxide; dihydroxyphosphinecarboxylic acid oxide(PFA); C06456; Q420387; 6-(2-Nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole; Phosphonoformate(trisodium) & Recombinant Alpha-A Interferon; Dihydroxyphosphinecarboxylic acid oxide and MSL, neutralizing monoclonal antibody"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:141644	DB00529	.	.	126.01	CH3O5P	94.8	120	-2	7	3	5	1	"1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)"	C(=O)(O)P(=O)(O)O	ZJAOAACCNHFJAH-UHFFFAOYSA-N
DG00589	Cidofovir	60613	"Cidofovir; 113852-37-2; Vistide; HPMPC; Cidofovir anhydrous; (S)-HPMPC; GS-504; Cidofovir (Vistide); Cidofovir hydrate; GS 0504; (S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine; CDV; UNII-768M1V522C; [1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid; GS-0504; (S)-1-[3-hydroxy-2-(phosphonylmethoxy)propyl]cytosine; (S)-(((1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid; CHEBI:3696; ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; (S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; 768M1V522C; NSC-742135; NCGC00184994-01; 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; 1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine; Cidofovir (anhydrous); Cidofovir hydrate (1:2); Cidofovirum; Forvade; (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid; [(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid; anhydrous cidofovir; Cidofovir [INN]; ({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; C8H14N3O6P; HSDB 7115; GS504; Hpmpc dihydrate; Cidofovir gel; Cidofovir,Vistide; Cidofovir(Vistide); Forvade (TM); Cidofovir, anhydrous; (S)-HPMPC; Cidovir; CHEMBL152; Cidofovir anhydrous- Bio-X; SCHEMBL3948; DSSTox_CID_23734; DSSTox_RID_80069; DSSTox_GSID_43734; (2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine; MLS003915629; (S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine; DTXSID3043734; BDBM31915; 1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate; BCP03734; EX-A4209; ZINC1530600; Tox21_112994; MFCD00866936; MFCD17215968; NSC742135; s1516; AKOS005145721; AKOS015854828; AC-1666; BCP9000528; CCG-267235; CS-1669; DB00369; GS-6438; (S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid; [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid; NCGC00184994-02; NCGC00184994-03; BC164304; HY-17438; Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-; SMR002544687; BCP0726000147; CAS-113852-37-2; AB01566823_01; 394C661; Q423445; SR-01000931969; J-502695; SR-01000931969-2; [[(S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid; ({[(S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid; L8P; Phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-; Phosphonic acid,[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3696	DB00369	DR00066	.	279.19	C8H14N3O6P	146	417	-3.6	18	4	6	6	"1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1"	C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O	VWFCHDSQECPREK-LURJTMIESA-N
DG00590	Ganciclovir	135398740	"Ganciclovir; 82410-32-0; Gancyclovir; Cytovene; Vitrasert; Zirgan; RS-21592; Ganciclovirum; Cymevene; BW-759U; 2-Amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1H-purin-6(9H)-one; Virgan; 2'-Nor-2'-deoxyguanosine; BW 759U; 2'-NDG; BW 759; 9-[(1,3-Dihydroxy-2-propoxy)methyl]guanine; UNII-P9G3CKZ4P5; 9-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)guanine; MFCD00870588; 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE; GA2; CHEBI:465284; 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-3H-purin-6-one; 9-((1,3-Dihydroxy-2-propoxy)methyl)guanine; Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-; Hydroxyacyclovir; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1H-purin-6(9H)-one; P9G3CKZ4P5; 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one; MLS000028481; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one; 2-(6-Amino-purin-9-ylmethoxy)-propane-1,3-diol; NSC-759656; NCGC00015471-02; HHEMG; SMR000058324; Biolf 62; Ganciclovirum [Latin]; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-9H-purin-6-ol; CAS-82410-32-0; 2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-3H-purin-6(9H)-one; 2-Amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-one; 2-amino-9-(2-hydroxy-1-hydroxymethylethoxymethyl)-6,9-dihydro-1H-6-purinone; DSSTox_CID_21032; DSSTox_RID_79613; DSSTox_GSID_41032; GCV; BIOLF-62; 9-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]guanine; 2-[(2-amino-6-hydroxypurin-9-yl)methoxy]propane-1,3-diol; Citovirax; Cymevan; Cymeven; BW-B 759U; 2-(2-Amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol; DRG-0018; 2-amino-9-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-1,9-dihydro-6H-purin-6-one; Vitrasert (TN); Cytovene (TN); CCRIS 9212; HSDB 6512; SR-01000075894; GCV & MSL; Ganciclovir (JAN/USP/INN); 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1H-purin-6-one; Ganciclovir,(S); 2-Amino-1,9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-H-purin-6-one; BW-795; MB3795; Prestwick_1068; ST-605; Zirgan (TN); 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-; GCV & 1110U81; Ganciclovir [USAN:USP:INN:BAN:JAN]; Opera_ID_284; 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; Prestwick0_000839; Prestwick1_000839; Prestwick2_000839; Prestwick3_000839; Lopac-G-2536; BIOLF62; CHEMBL182; EC 627-054-3; G 2536; SCHEMBL3033; Lopac0_000539; BSPBio_000797; MLS001077349; BIDD:GT0783; SPBio_002718; BPBio1_000877; ZINC1505; DTXSID8041032; methyl)-1H-purin-6(9H)-one; SCHEMBL14491348; BDBM85707; HMS1570H19; HMS2090K08; HMS2097H19; HMS2235C21; HMS3259B13; HMS3261L19; HMS3371H01; HMS3604L19; HMS3655M18; HMS3714H19; Pharmakon1600-01502362; ACT03317; BCP12705; NSC_3454; Tox21_110160; Tox21_500539; BBL029078; BDBM50237614; NSC759656; PDSP1_000816; PDSP2_000803; s1878; STK801910; STL514515; 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one; AKOS004119898; AKOS026749928; AKOS037492029; Tox21_110160_1; Valganciclovir hydrochloride impurity a; AC-8069; CCG-204629; CS-2014; DB01004; Ganciclovir, >=99% (HPLC), powder; KS-1065; LP00539; MCULE-9512761592; NC00647; NSC 759656; SDCCGSBI-0050522.P002; 2-Amino-1,9-dihydro-9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6H-purin-6-one; SMP2_000038; NCGC00015471-01; NCGC00015471-03; NCGC00015471-04; NCGC00015471-05; NCGC00015471-06; NCGC00015471-08; NCGC00015471-16; NCGC00093928-01; NCGC00093928-02; NCGC00168567-01; NCGC00188980-01; NCGC00261224-01; 9-(1,3-dihydroxy-2propoxymethyl)guanine; BG164496; HY-13637; SY027981; 9-(1,3-dihydroxy-2-propoxymethyl)guanine; CAS_82410-32-0; 2-amino-9-((1,3-dihydroxypropan-2-yloxy); 9-(1,3-dihydroxy-2-propoxymethyl)-guanine; EU-0100539; FT-0611007; FT-0668948; G0315; SW197135-3; EN300-49857; C07019; D00333; J10127; Ganciclovir 100 microg/mL in Acetonitrile:Water; 410G320; 9-[[(1,3-Dihydroxy-2-propyl)oxy]methyl]guanine; A840322; A935676; Ganciclovir, Antibiotic for Culture Media Use Only; Q417640; SR-01000721941; Q-201148; SR-01000075894-1; SR-01000075894-4; SR-01000721941-3; Z1259084907; Ganciclovir, European Pharmacopoeia (EP) Reference Standard; 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]propane-1,3-diol; Ganciclovir, United States Pharmacopeia (USP) Reference Standard; Ganciclovir, Pharmaceutical Secondary Standard; Certified Reference Material; 2-((6-Hydroxy-2-imino-2,3-dihydro-9H-purin-9-yl)methoxy)propane-1,3-diol; 2-amino-9-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}-1,9-dihydro-6H-purin-6-one; Ganciclovir, 1.0 mg/mL (1% 1M HCl in Methanol), certified reference material; Guanine, 9-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)- and MSL, neutralizing monoclonal antibody"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:465284	DB01004	DR00027	.	255.23	C9H13N5O4	135	346	-2.5	18	4	6	5	"1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)"	C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N	IRSCQMHQWWYFCW-UHFFFAOYSA-N
DG00591	Valganciclovir	135413535	"Valganciclovir; 175865-60-8; Cymeval; L-Valine, ester with ganciclovir; CHEBI:63635; [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)-3-hydroxypropyl ester; Valganciclovir [INN:BAN]; 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate; Valganciclovir (INN); C14H22N6O5; NCGC00168779-01; HSDB 8085; L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester; 5-Amino-3-[1-(hydroxymethyl)-2-(L-valyloxy)ethoxymethyl]-6,7-dihydro-3H-imidazo[4,5-d]pyrimidin-7-one; RS 79070; RO1079070/194; SCHEMBL28996; GTPL4716; CHEMBL1201314; DTXSID8048288; SCHEMBL12672612; SCHEMBL22357189; (2S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)-3-hydroxypropyl 2-amino-3-methylbutanoate; HY-A0032; AKOS015896083; AKOS015966553; CS-0950; DB01610; 2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl L-valinate; NCGC00387997-02; NCGC00387997-04; AM807983; Y0321; Ro-1079070/194; D02495; AB01563009_01; 865V608; Q423384; BRD-A50922295-003-01-9; [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63635	DB01610	DR00404	.	354.36	C14H22N6O5	167	528	-1.5	25	4	8	9	"1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8 ,9-/m0/s1"	CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N)N	WPVFJKSGQUFQAP-GKAPJAKFSA-N
DG00592	Riluzole	5070	"Riluzole; 1744-22-5; Rilutek; 2-Amino-6-(trifluoromethoxy)benzothiazole; 6-(trifluoromethoxy)benzo[d]thiazol-2-amine; 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine; RP-54274; 2-amino-6-trifluoromethoxybenzothiazole; 2-amino-6-(trifluoromethoxy)benzo[d]thiazole; 2-Benzothiazolamine, 6-(trifluoromethoxy)-; PK-26124; RP 54274; C8H5F3N2OS; UNII-7LJ087RS6F; Riluzole (Rilutek); Amino-2 trifluoromethoxy-6 benzothiazole; MLS000069369; 6-Trifluoromethoxy-benzothiazol-2-ylamine; 2-Benzothiazolamine,6-(trifluoromethoxy)-; 2-Amino-6-(trifluoromethoxy)-benzothiazole; CHEMBL744; SMR000058231; 7LJ087RS6F; CHEBI:8863; Riluzol; 2-amino-6-(trifluoromethoxy)-1,3-benzothiazole; BENZOTHIAZOLE, 2-AMINO-6-TRIFLUOROMETHOXY-; MFCD00210213; NSC-753433; NSC-759823; NCGC00015882-09; Riluzolum; Riluzol [INN-Spanish]; Riluzolum [INN-Latin]; DSSTox_CID_25192; DSSTox_RID_80739; DSSTox_GSID_45192; Rilutek (TN); CAS-1744-22-5; Amino-2 trifluoromethoxy-6 benzothiazole [French]; Tiglutik; 2-amino-6-(trifluoromethoxyl)benzothiazole; Riluzole, solid; Riluzole [USAN:USP:INN:BAN]; Riluzole- Bio-X; BF-37; ALBB-006046; Prestwick-03A08; 6-(trifluoromethoxy)-2-benzothiazolamine; Tocris-0768; PK 26124; 6-trifluoromethoxybenzothiazole-2-yl-amine; Opera_ID_548; Lopac-R-116; Riluzole-13C-15N2; Prestwick0_000167; Prestwick1_000167; Prestwick2_000167; Prestwick3_000167; Spectrum2_000550; Biomol-NT_000245; cid_5070; Riluzole (JAN/USP/INN); Lopac0_001064; SCHEMBL78905; BSPBio_000033; BIDD:GT0055; SPBio_000599; SPBio_001954; BPBio1_000037; BPBio1_000837; GTPL2326; ZINC6481; DTXSID3045192; BDBM30705; Bio1_000416; Bio1_000905; Bio1_001394; HMS1773G08; HMS2089O19; HMS2094G07; HMS2233E14; HMS3263E10; HMS3371A09; HMS3657E13; Pharmakon1600-01505348; AMY14166; BCP02142; BHV-0223; HY-B0211; Riluzole - CAS 1744-22-5; Tiglutik (thickened oral suspension); Tox21_110252; Tox21_501064; AC-730; BBL013272; CCG-39528; NSC753433; NSC759823; s1614; STK503686; AKOS000265071; Tox21_110252_1; DB00740; KS-5231; LP01064; MCULE-9362288181; NSC 753433; NSC 759823; SDCCGSBI-0051034.P003; 2-amino-6-trifluoromethoxy-benzothiazole; 6-(trifluoromethoxy)benzothiazol-2-amine; 6-trifluoromethoxy-2-amino-benzothiazole; NCGC00015882-01; NCGC00015882-02; NCGC00015882-03; NCGC00015882-04; NCGC00015882-05; NCGC00015882-06; NCGC00015882-07; NCGC00015882-08; NCGC00015882-10; NCGC00015882-11; NCGC00015882-12; NCGC00015882-13; NCGC00015882-15; NCGC00015882-28; NCGC00023141-02; NCGC00023141-04; NCGC00023141-05; NCGC00023141-06; NCGC00261749-01; 6-(trifluoromethoxy)-2-aminobenzothiazole; 6-trifluoromethoxybenzo[d]thiazol-2-amine; BR164340; H090; SBI-0051034.P002; 2-Amino-6-(Trifluoromethoxy) Benzothiazole; 6-(Trifluoromethoxy)-2-amino-benzothiazole; DB-030335; EU-0101064; FT-0611194; R1174; SW196805-4; EN300-23782; 6-trifluoromethoxy-1,3-benzothiazol-2-ylamine; C07937; D00775; J10184; J10441; VU0239571-11; 744R225; Q415744; SR-01000002997-3; BRD-K21283037-001-02-5; BRD-K21283037-003-03-9; BRD-K21283037-003-06-2; F3282-0020; Z166605314; Rilutek; ; ; Rilutor; ; ; 6-(Trifluoromethoxy)-2-benzothiazolamine; Riluzole, United States Pharmacopeia (USP) Reference Standard; 2-Amino-6-(trifluoromethoxy)-1,3-benzothiazole;2-AMINO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8863	DB00740	DR00205	DR1425	234.2	C8H5F3N2OS	76.4	238	3.6	15	1	7	1	"1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)"	C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N	FTALBRSUTCGOEG-UHFFFAOYSA-N
DG00593	Rocuronium	441290	"Rocuronium; 143558-00-3; UNII-WRE554RFEZ; CHEBI:8884; WRE554RFEZ; [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; Org-9426; 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium; NCGC00167433-01; Rocuronium ion; Rocuronium cation; Epitope ID:174837; C07556; SCHEMBL29958; C32H53BrN2O4; BIDD:GT0360; GTPL4003; CHEMBL1201244; DTXSID6048339; TQP0579; C32H53N2O4; HMS2090E03; ZINC53229445; CS-0733; DB00728; NCGC00167433-05; (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane; H896; HY-17033; X5020; AB01274786-01; AB01274786-02; AB01274786_03; Q185331; SR-05000001500; SR-05000001500-1; BRD-K43305603-004-02-8; 1-[(2; A,3; A,5; A,16; A,17; A)-17-(Acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)pyrrolidinium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8884	DB00728	DR00442	.	529.8	C32H53N2O4+	59	898	5	38	1	5	6	"1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1"	CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C	YXRDKMPIGHSVRX-OOJCLDBCSA-N
DG00594	Melamine-based arsenicals	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00595	Phenobarbital	4763	"Phenobarbital; Phenobarbitone; Phenobarbitol; Luminal; 50-06-6; Phenylethylbarbiturate; Phenobarbituric acid; Phenylethylmalonylurea; Fenobarbital; Phenemal; Adonal; Phenylethylbarbituric acid; Nunol; Neurobarb; Phenaemal; Dormiral; Gardenal; Hysteps; Aphenylbarbit; Aphenyletten; Dezibarbitur; Lepinaletten; Lumofridetten; Aephenal; Agrypnal; Amylofene; Barbenyl; Barbiphenyl; Barbipil; Barbivis; Barbonal; Barbophen; Bialminal; Cabronal; Calmetten; Calminal; Cardenal; Codibarbita; Coronaletta; Cratecil; Doscalun; Ensobarb; Ensodorm; Episedal; Epsylone; Eskabarb; Fenbital; Fenylettae; Gardepanyl; Glysoletten; Haplopan; Hennoletten; Hypnaletten; Hypnette; Hypnogen; Hypnolone; Hypnoltol; Liquital; Lixophen; Lubergal; Lubrokal; Lumesettes; Luphenil; Nirvonal; Parkotal; Pharmetten; Phenemalum; Phenobal; Phenobarbyl; Phenoluric; Phenolurio; Phenomet; Phenonyl; Phenoturic; Phenyletten; Phenyral; Polcominal; Promptonal; Sedizorin; Sedonettes; Solfoton; Sombutol; Somnolens; Somnoletten; Somnosan; Spasepilin; Starifen; Starilettae; Teolaxin; Barbita; Bardorm; Bartol; Chinoin; Duneryl; Epanal; Epidorm; Epilol; Etilfen; Euneryl; Fenemal; Fenosed; Haplos; Henotal; Leonal; Lepinal; Linasen; Lumesyn; Luramin; Molinal; Noptil; Sedabar; Sedicat; Sedlyn; Sedofen; Sedonal; Sevenal; Somonal; Lumen; Seda-Tablinen; Blu-phen; Nova-Pheno; Solu-Barb; Hypno-Tablinetten; Stental Extentabs; Phen-Bar; PHOB; Phenobarb; Sedophen; Talpheno; Triabarb; Versomnal; 5-Ethyl-5-phenylbarbituric acid; 5-Phenyl-5-ethylbarbituric acid; Tridezibarbitur; Triphenatol; Zadoletten; Barbinal; Barbiphen; Damoral; Dormina; Lefebar; Lephebar; Stental; Teoloxin; Theoloxin; Zadonal; SK-Phenobarbital; 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione; Thenobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; Dormital; Phenylethylbarbitursaeure; Phenylaethylbarbitursaeure; 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Barbituric acid, 5-ethyl-5-phenyl-; 5-Ethyl-5-phenyl-pyrimidine-2,4,6-trione; Barbilehae (barbilettae); UNII-YQE403BP4D; component of Tedral; Sedonal (sedative); component of Slowten; CHEBI:8069; component of Antrocol; component of Hecadrol; component of Bronkotabs; 5-Ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione; component of Primatene P; CHEMBL40; Phenobarbital (in methanol solution); component of Valpin 50-PB; YQE403BP4D; Austrominal; Phenobarbitalum; Phenobarbitonum; NSC-9848; NSC-128143; NCGC00159493-02; Fenobarbitale; Fenobarbitale [DCIT]; Elixir of phenobarbital; Phenobarbitalum [INN]; DSSTox_CID_1122; Chardonna-2; DSSTox_RID_75953; DSSTox_GSID_21122; Phenylethyl barbituric acid; Fenobarbital [INN-Spanish]; Phenyl-ethyl-barbituric acid; Phenobarbitalum [INN-Latin]; WLN: T6VMVMV FHJ F2 FR; Barbinol; Fenemal recip; CAS-50-06-6; Levsin PB Drops and Tablets; CCRIS 502; Luminal (TN); phenobarbital (PB); Acido 5-fenil-5-etilbarbiturico; HSDB 3157; Acido 5-fenil-5-etilbarbiturico [Italian]; 5-Ethyl-5-phenyl-2,6(1H,3H,5H)-pyrimidinetrione; EINECS 200-007-0; 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-; NSC 128143; Phenobar; AI3-02726; Phenobarbital [USP:INN:BAN:JAN]; Tedral (Salt/Mix); Primidone Impurity B; Kinesed (Salt/Mix); Antrocol (Salt/Mix); Donnatal (Salt/Mix); Donnazyme (Salt/Mix); Quadrinal (Salt/Mix); Mephobarbital M (nor); Barbidonna (Salt/Mix); Bronkotabs (Salt/Mix); PHENOBARBITAL CIV; Chardonna-2 (Salt/Mix); Epitope ID:116048; BIDD:PXR0061; Oprea1_384816; SCHEMBL16583; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione; Methylphenobarbital, M(nor-); MLS001240232; DivK1c_000987; GTPL2804; DTXSID5021122; SCHEMBL11114624; HMS503E15; KBio1_000987; NSC9848; Phenobarbital (JP17/USP/INN); NINDS_000987; HMS2272G06; Tox21_111713; Tox21_200510; BDBM50021437; NSC128143; STL367898; ZINC95588079; component of Primatene P (Salt/Mix); Phenobarbital 0.1 mg/ml in Methanol; Phenobarbital 1.0 mg/ml in Methanol; AKOS000605404; AKOS015964976; Barbituric acid, 5-ethyl-5-phenyl-,; AB02704; DB01174; MCULE-1782264021; component of Valpin 50-PB (Salt/Mix); IDI1_000987; NSC-128143-; Levsin PB Drops and Tablets (Salt/Mix); NCGC00159493-03; NCGC00159493-04; NCGC00258064-01; SMR000058986; DB-051722; C07434; D00506; Phenobarbital solution, 1.0 mg/mL in methanol; A827956; Q407241; SR-01000313151; SR-01000313151-1; Phenobarbital, United States Pharmacopeia (USP) Reference Standard; Phenobarbital solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material; 11097-06-6; UQA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8069	DB01174	DR00471	DR1275	232.23	C12H12N2O3	75.3	339	1.5	17	2	3	2	"1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)"	CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	DDBREPKUVSBGFI-UHFFFAOYSA-N
DG00596	Phenytoin	1775	"Phenytoin; 5,5-DIPHENYLHYDANTOIN; 57-41-0; Diphenylhydantoin; Dilantin; 5,5-diphenylimidazolidine-2,4-dione; Phenytoine; Zentropil; Epamin; Dihydantoin; Aleviatin; Dilabid; Diphantoin; Diphenylan; Lepitoin; Diphedan; Fenylepsin; Phentytoin; Sodanton; Difenin; Dihycon; Lehydan; Diphenylhydatanoin; Dantoinal; Di-Hydan; Dilantine; Dillantin; Diphenine; Diphentyn; Ditoinate; Elepsindon; Epilantin; Fenitoina; Fenytoine; Hidantilo; Hidantina; Hidantomin; Hydantoinal; Kessodanten; Phanantin; Phanatine; Phenatoine; Sodantoin; Sylantoic; Thilophenyl; Zentronal; Auranile; Dantinal; Dantoine; Difetoin; Difhydan; Dintoin; Dintoina; Diphedal; Diphenin; Enkelfel; Epifenyl; Epihydan; Fentoin; Hidantal; Hydantal; Idantoil; Idantoin; Labopal; Phentoin; Ritmenal; Saceril; Sanepil; Silantin; Solantin; Danten; Denyl; Epelin; Epinat; Epised; Eptal; Hidan; Lepsin; Ekko; Ictalis simple; Toin unicelles; Dilantin acid; Dantoinal klinos; Om-Hydantoine; Di-Phetine; Epdantoine simple; Hidantina vitoria; Gerot-epilan-D; Epilan-D; Neosidantoina; Comitoina; Hidantina senosian; Hydantol; Minetoin; Novantoina; Causoin; Convul; Di-Lan; Ekko capsules; Neos-Hidantoina; 2,4-Imidazolidinedione, 5,5-diphenyl-; Om hidantoina simple; TOIN; Phenhydanin; Phenytex; Phenytoinum; Sinergina; Sodanthon; Iphenylhydantoin; Phenytoin-Gerot; Difenilhidantoina; Fenytoin Dak; Didan TDC 250; Dilantin-125; Epdantoin Simple; Phenytoin AWD; Epilan D; 5,5-Diphenyl-2,4-imidazolidinedione; Diphenat; Hindatal; Hydantin; Epanutin; Fenitoina [INN-Spanish]; Phenytoine [INN-French]; Phenytoinum [INN-Latin]; Difenilhidantoina [Spanish]; Diphenylhydantoine [French]; 5,5-Dwufenylohydantoina; Antisacer; Fenantoin Mn Pharma; Diphenylhydantoine; Di-Lan (VAN); PHENYTOIN SODIUM; Diphenylhydantoin (VAN); Diphentoin; DILANTIN-30; Solantoin; Solantyl; Eptoin; DPH (VAN); PHENYTEK; 5,5-Diphenylimidazolidin-2,4-dione; 5,5-Diphenyl-imidazolidine-2,4-dione; 5,5-Diphenylhydantoin (IUPAC); 5,5-Dwufenylohydantoina [Polish]; Hydantoin, 5,5-diphenyl-; CCRIS 515; CHEBI:8107; NCI-C55765; 5,5-Diphenylhydantoin (phenytoin); UNII-6158TKW0C5; Diphenylan sodium; AI3-52498; 5,5-diphenyl hydantoin; Dilantin (TN); Novophenytoin; MFCD00005264; MLS000069789; Citrulliamon; Phenitoin; 5,5-diphenyltetrahydro-1H-2,4-imidazoledione; Fenidantoin s; NSC8722; 6158TKW0C5; NSC-8722; Epasmir 5; NCGC00021139-03; SMR000059026; DSSTox_CID_541; Fenidantoin 's'; DSSTox_RID_75650; DSSTox_GSID_20541; Epasmir '5'; Didan-tdc-250; CAS-57-41-0; phenytoin (PHN); component of Mebroin; fenidantoin ''s''; epasmir ''5''; NSC 8722; EINECS 200-328-6; SR-01000075211; IFLab1_000214; Fenidantoin 's'; HSDB 3160; Episar (Salt/Mix); Epasmir '5'; Aladdin (Salt/Mix); Alepsin (Salt/Mix); Epsolin (Salt/Mix); Phenytoin (Lepitoin); Tacosal (Salt/Mix); Phenytoin [USAN:USP:INN:BAN:JAN]; Antisacer (Salt/Mix); Epdantoin (Salt/Mix); Epileptin (Salt/Mix); Hydantoin,5-diphenyl-; Spectrum_001105; Fenigramon (Salt/Mix); Citrullamon (Salt/Mix); Opera_ID_394; 2, 5,5-diphenyl-; CHEMBL16; Spectrum2_001281; Spectrum3_000890; Spectrum4_000984; Spectrum5_001369; Lopac-D-4007; Epitope ID:117723; D 4007; SCHEMBL3440; BIDD:PXR0090; Lopac0_000329; Lopac0_000378; Oprea1_373280; BSPBio_001437; KBioGR_001387; KBioSS_001585; MLS001074087; MLS002454401; BIDD:GT0625; DivK1c_000507; Soluble phenytoin (Salt/Mix); SPBio_001281; Phenytoin (JP17/USP/INN); GTPL2624; 2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one; DTXSID8020541; KBio1_000507; KBio2_001585; KBio2_004153; KBio2_006721; KBio3_001780; WLN: T5MVMV EHJ ER& ER; 5,5-Diphenylhydantoin, >=99%; NINDS_000507; Phenytoin 1.0 mg/ml in Methanol; SM-88 COMPONENT PHENYTOIN; HMS1412J16; HMS1694O05; HMS1791H19; HMS1989H19; HMS2089E11; HMS2236J06; HMS3261K17; HMS3402H19; HMS3657O03; BCP05960; HY-B0448; Hydantoin, 5,5-diphenyl- (8CI); ZINC2510358; Tox21_110861; Tox21_202299; Tox21_300281; Tox21_500378; AC-376; BDBM50003655; BDBM50101816; s2525; STK058029; STK182871; STL454130; AKOS000416887; AKOS003245432; Tox21_110861_1; 5,5-diphenylimidazolidine-2,4-dione.; CCG-104011; CCG-221682; DB00252; LP00378; MCULE-2376673346; Phenytoin 1000 microg/mL in Methanol; 5,5-di(phenyl)imidazolidine-2,4-dione; IDI1_000507; IDI1_008433; NCGC00015342-01; NCGC00015342-02; NCGC00015342-03; NCGC00015342-04; NCGC00015342-05; NCGC00015342-06; NCGC00015342-07; NCGC00015342-08; NCGC00015342-09; NCGC00015342-10; NCGC00015342-11; NCGC00015342-12; NCGC00021139-01; NCGC00021139-02; NCGC00021139-04; NCGC00021139-05; NCGC00021139-06; NCGC00021139-07; NCGC00021139-08; NCGC00021139-09; NCGC00021139-10; NCGC00021139-11; NCGC00091492-01; NCGC00091492-02; NCGC00091492-03; NCGC00091492-04; NCGC00091492-05; NCGC00093810-01; NCGC00093810-02; NCGC00254135-01; NCGC00259848-01; NCGC00261063-01; 5,5- Diphenyl- 2,4- imidazolidinedione; 5,5-Diphenyl-1H-imidazolidine-2,4-dione; D0894; EU-0100378; FT-0667653; FT-0699999; P-235; SW203757-2; EN300-16818; 5,5-diphenylimidazolidine-2,4-dione;Phenytoin; C07443; D00512; E76094; 2,4-Imidazolidinedione, 5,5-diphenyl- (9CI); 5,5-diphenyl-1H-imidazole-2,4(3H,5H)-dione; AB00374253-10; AB00374253-11; AB00374253_13; A831435; Q410400; SR-01000003141; SR-01000003141-8; SR-01000075211-2; W-105468; BRD-K55930204-001-02-7; BRD-K55930204-236-11-0; Z56786458; 4-hydroxy-5,5-diphenyl-1,5-dihydro-2H-imidazol-2-one; F0020-1370; Phenytoin, European Pharmacopoeia (EP) Reference Standard; Phenytoin, United States Pharmacopeia (USP) Reference Standard; 5,5-Diphenylhydantoin solution, drug standard, 1.0 mg/mL in methanol; Phenytoin, Pharmaceutical Secondary Standard; Certified Reference Material; Phenytoin for system suitability, European Pharmacopoeia (EP) Reference Standard; Phenytoin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8107	DB00252	DR00431	DR1282	252.27	C15H12N2O2	58.2	350	2.5	19	2	2	2	"1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)"	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3	CXOFVDLJLONNDW-UHFFFAOYSA-N
DG00597	Actinomycin D	457193	Etoposide; Methotrexate; Actinomycin D; Cyclophosphamide; Vincristine	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00598	SL111	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00599	Grazoprevir	44603531	"Grazoprevir; 1350514-68-9; MK-5172; MK5172; UNII-8YE81R1X1J; Grazoprevir monohydrate; MK 5172; MK-5172 ANHYDROUS; MK-5172 MONOHYDRATE; 8YE81R1X1J; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide; Grazoprevir [INN]; Grazoprevir anhydrous; MK-5172; Grazoprevir; SCHEMBL2175313; CHEMBL2063090; GTPL11573; DTXSID50159234; CHEBI:132975; EX-A2253; BDBM50485492; s3728; ZINC95551509; AKOS030253227; CCG-270451; CS-1374; DB11575; ino[11,12-b]quinoxaline-8-carboxamide; analog 15 [PMID: 24900473]; NCGC00378916-02; AC-29227; AS-55861; HY-15298; D82934; A887766; Zepatier [elbasvir (NS5A inhibitor) + grazoprevir]; Q19786991; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-((1R,2S)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-vinylcyclopropyl)-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 ,  .0 ,  .0  ,  ]nonacosa-3,5,7,9,11-pentaene-27-carboxamide; (1R,2S)-N-[[[(1R,2R)-2-[5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-cyclopropanecarboxamide, cyclic (1-->2)-ether;MK-5172; (33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide; oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11575	.	DR0789	766.9	C38H50N6O9S	204	1580	4.7	54	3	11	8	"1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1"	CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1	OBMNJSNZOWALQB-NCQNOWPTSA-N
DG00600	Vaniprevir	24765256	"Vaniprevir; vanihep; 923590-37-8; UNII-CV3X74AO1H; MK7009; MK-7009; CV3X74AO1H; Cyclopropanecarboxamide, N-(((6-(2-carboxy-2,3-dihydro-1H-isoindol-4-yl)-2,2-dimethylhexyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethyl-, (1-2)-lactone, (1R,2R)-; (1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide; Vaniprevir [USAN:INN]; 3su6; vaniprevir; MK-7009; SCHEMBL3264200; CHEMBL4525964; GTPL11570; BDBM103836; BCP09841; MK-7009;MK 7009;Vaniprevir; ZINC95627836; CS-0340; DB11929; MK 7009; analog 35b [PMID: 20163176]; NCGC00485973-01; HY-10243; DS-017783; Q7914945"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11929	.	.	757.9	C38H55N5O9S	189	1550	5.1	53	3	9	7	"1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1"	CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C	KUQWGLQLLVFLSM-ONAXAZCASA-N
DG00601	Glecaprevir	66828839	"Glecaprevir; ABT-493; UNII-K6BUU8J72P; 1365970-03-1; K6BUU8J72P; A-1282576.0; 1365970-03-1 (free); ABT 493; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-{(1R,2R)-2(difluoromethyl)-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}-20,20-difluoro5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10carboxamide; Glecaprevir [USAN]; Maviret; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; O31; ABT-493(Glecaprevir); Glecaprevir (USAN/INN); SCHEMBL883097; ABT493; CHEMBL3545363; GTPL11267; (1R,14E,18R,22R,26S,29S)-26-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide; AMY38157; EX-A1940; s5720; CS-8098; DB13879; AC-33419; HY-17634; J3.646.120I; D10814; A-1282576; A-12825760; 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-((1R,2R)-2-(difluoromethyl)-1-((1-methylcyclopropane-1-sulfonyl)carbamoyl)cyclopropyl)-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta(18,19)(1,10,17,3,6)trioxadiazacyclononadecino(11,12-b)quinoxaline-10-carboxamide; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop; (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-{(1R,2R)-2- (difluoromethyl)-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}-20,20-difluoro- 5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12- methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10- carboxamide hydrate; Cyclopropanecarboxamide, N-((((1R,2R)-2-((4,4-difluoro-4-(3-hydroxy-2-quinoxalinyl)-2-buten-1-yl)oxy)cyclopentyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, cyclic (1->2)-ether, (1R,2R)-; ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13879	DR01308	DR1768	838.9	C38H46F4N6O9S	204	1760	4.6	58	3	15	7	"1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1"	CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C	MLSQGNCUYAMAHD-ITNVBOSISA-N
DG00602	Paritaprevir	45110509	"Paritaprevir; Veruprevir; ABT-450; Veruprevir anhydrous; ABT450; 1216941-48-8; UNII-OU2YM37K86; 1221573-85-8; OU2YM37K86; Paritaprevir(ABT-450); (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide; ABT 450; Veruprevir [INN]; Paritaprevir [USAN:INN]; veruprevir (deprecated INN); SCHEMBL3069964; CHEMBL3391662; GTPL11273; AMY6938; Paritaprevir(Veruprevir ABT-450); (2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; EX-A2278; s5404; AKOS025396424; ZINC197964623; CCG-270449; CS-5051; DB09297; NCGC00509859-02; (2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-(5-methylpyrazin-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16atetradecahydrocyclopropa(E)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide; AC-33061; AS-75348; HY-12594; A857160; (1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0 , ]nonadec-7-ene-4-carboxamide; (1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide; (2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide; Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-dioxo-2-(6-phenanthridinyloxy)-, (2R,6S,12Z,13aS,14aR,16aS)-; Veruprevir; ; ; ABT 450; ; ; (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB09297	DR01312	.	765.9	C40H43N7O7S	198	1600	4.7	55	3	10	7	"1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1"	CC1=CN=C(C=N1)C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)OC5=NC6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8	UAUIUKWPKRJZJV-QPLHLKROSA-N
DG00603	Telaprevir	3010818	"Telaprevir; 402957-28-2; VX-950; Incivek; Telaprevir (VX-950); MP-424; Incivo; VX 950; Telavic; LY-570310; UNII-655M5O3W0U; MP 424; VRT 111950; VRT-111950; LY 570310; CHEMBL231813; CHEBI:68595; 655M5O3W0U; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide; S-Telaprevir; (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide; VX950 cpd; Telaprevir [USAN:INN]; HSDB 8125; Incivek(TM); Telaprevir-[d4]; Incivek (TN); Incivo (TN); Telaprevir,VX-950; Telaprevir (VX950); (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide; VX-950 (Telaprevir); SCHEMBL183996; Telaprevir (JAN/USAN/INN); GTPL7871; DTXSID40193304; EX-A006; AIDS213006; C36H53N7O6; 569364-34-7; AIDS-213006; AOB87136; ZINC3992480; BDBM50326056; FD7166; MFCD11616089; s1538; VRT111950; AKOS005145815; CCG-270366; CS-0285; DB05521; NCGC00346545-03; (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide; AS-16995; HY-10235; W9903; WO-00218369; D09012; 957T282; Q408557; Q-101417; (1S,3aR,6aS)-(2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxo-hexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cydopropylamino)-1,2-dioxo-hexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide; (1S,3aR,6aS)-N-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide; (3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide; 2-(2-{2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68595	DB05521	DR00702	DR1543	679.8	C36H53N7O6	180	1240	4.2	49	4	8	14	"1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1"	CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5	BBAWEDCPNXPBQM-GDEBMMAJSA-N
DG00604	Boceprevir	10324367	"Boceprevir; 394730-60-0; Victrelis; SCH 503034; EBP 520; UNII-89BT58KELH; SCH503034; SCH-503034; 89BT58KELH; CHEBI:68621; EBP-520; 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1R,2S,5S)-N-(4-AMINO-1-CYCLOBUTYL-3,4-DIOXOBUTAN-2-YL)-3-[(2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYLBUTANOYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE; (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; (1S,4S,5R)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide; Boceprevir [USAN:INN]; HSDB 8081; Victrelis(TM); Victrelis (TN); Boceprevir & NM107; Boceprevir (INN/USAN); SCHEMBL640836; CHEMBL218394; EBP520; GTPL7876; BDBM12311; DTXSID30960103; BCP02502; EX-A1336; MFCD22208555; s3733; AKOS005145787; EBP-520;SCH503034; CCG-269852; CS-0361; DB08873; DT-0021; NCGC00378631-01; BOC; HY-10237; SCH 503034 & NM107; D08876; Q410551; J-519910; (1R,2S,5S)-N-(3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-(((1,1-dimethylethyl)carbamoyl)amino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxamide; (1r,5s)-n-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(s)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(s)-carboxamide; 3-Azabicyclo(3.1.0)hexane-2-carboxamide, N-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-((2S)-2-((((1,1- dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6- dimethyl-, (1R,2S,5S)-; 3-azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-; N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; N-(4-Amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-{N-[(tert-butylamino)(hydroxy)methylidene]-3-methylvalyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68621	DB08873	DR01333	DR0218	519.7	C27H45N5O5	151	959	3.1	37	4	5	10	"1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16 ,17-,18-,20+/m0/s1"	CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C	LHHCSNFAOIFYRV-DOVBMPENSA-N
DG00605	Voxilaprevir	89921642	"Voxilaprevir; 1535212-07-7; GS9857; UNII-0570F37359; (1R,18R,20R,24S,27S,28S)-24-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide; 0570F37359; GS-9857; Voxilaprevir [USAN:INN]; Voxilaprevir (USAN/INN); C40H52F4N6O9S; CHEMBL4474855; SCHEMBL15412621; EX-A5390; DB12026; HY-19840; CS-0017027; J3.665.048F; D10899; Q27236086; (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1 R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14- methoxy-3,6-dioxo-1,1a,3,4,5,6,9,1 0,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19]; L9P"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12026	DR01315	DR1714	868.9	C40H52F4N6O9S	204	1780	5.9	60	3	15	9	"1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1"	CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C	MZBLZLWXUBZHSL-FZNJKFJKSA-N
DG00606	Asunaprevir	16076883	"Asunaprevir; 630420-16-5; BMS-650032; BMS 650032; UNII-S9X0KRJ00S; BMS650032; S9X0KRJ00S; 1,1-dimethylethyl ((1S)-1-{((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-({(1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl}carbamoyl) pyrrolidin-1-yl)carbonyl}-2,2-dimethylpropyl)carbamate; Asunaprevir (BMS-650032); sunvepra; N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-4-[(7-Chloro-4-Methoxyisoquinolin-1-Yl)oxy]-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-L-Prolinamide; tert-butyl ((S)-1-((2S,4R)-4-((7-chloro-4-methoxyisoquinolin-1-yl)oxy)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate; tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate; Asunaprevir [USAN:INN]; Sunvepratrade; Sunvepra (TN); 2R9; tert-butyl N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate; Asunaprevir (JAN/USAN); Asunaprevir; BMS-650032; SCHEMBL2630655; CHEMBL2105735; GTPL10882; EX-A386; CHEBI:134723; (1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide; AMY38775; BCP08230; BDBM50287594; MFCD27987900; ZINC85540202; AKOS037515831; CS-0674; DB11586; compound 24 [PMID: 24564672]; NCGC00378691-02; NCGC00378691-05; HY-14434; Asunaprevir;BMS650032;BMS-650032; D10093; A857563; Q4811881; 1,1-Dimethylethyl ((1S)-1-(((2S,4R)-4-(7-chloro-4methoxyisoquinolin-1-yloxy)-2- (((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl)carbamoyl) pyrrolidin-1-yl)carbonyl)-2,2-dimethylpropyl)carbamate; BMS650032;(1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide; Carbamic acid, [(1S)-1-[[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-2-[[[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]amino]carbonyl]-1-pyrrolidinyl]carbonyl]-2,2-dimethylpropyl]-, 1,1-dimethylethyl ester; Cyclopropanecarboxamide, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-L-valyl-(4R)-4- ((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2- ethenyl-, (1R,2S)-; Cyclopropanecarboxamide, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, (1R,2S)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:134723	DB11586	DR00075	DR0148	748.3	C35H46ClN5O9S	191	1470	4.9	51	3	10	14	"1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1"	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C	XRWSZZJLZRKHHD-WVWIJVSJSA-N
DG00607	Simeprevir	24873435	"SIMEPREVIR; Olysio; TMC435; 923604-59-5; TMC435350; TMC-435; TMC 435; TMC 435350; TMC-435350; Simeprevir sodium; CHEMBL501849; UNII-9WS5RD66HZ; (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide; (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide; 9WS5RD66HZ; HCV-PI; SCHEMBL826061; GTPL7367; C38H47N5O7S2; CHEBI:134743; N-cyclopropylsulfonyl-[[2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]-methyl-dioxo-[ ]carboxamide; 4041AH; BDBM50336504; s5015; ZINC85540268; AKOS025401966; CCG-270435; AC-27651; AS-56205; TMC-00435350; TMC-435, TMC-435350; US8741926, 47; US8754106, 47; Q7517689; (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide; (2R,3aR,10Z,12S,13R,15aR)-N-(Cyclopropylsulfonyl)-2-[[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]-5-methyl-4,15-dioxo-2,3,3a,4,5,6,7,8,9,12,13,14,15,15a-tetradecahydro-12,13-methano-5,14-diaza-1H-cyclopentacyclotetradecene-13-carboxamide; (2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-((2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl)oxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide; N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0''4,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134743	DB06290	DR00014	.	749.9	C38H47N5O7S2	194	1490	4.8	52	2	10	8	"1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1"	CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC	JTZZSQYMACOLNN-VDWJNHBNSA-N
DG00608	Oseltamivir	65028	"Oseltamivir; 196618-13-0; Tamvir; Tamiflu-Free; GS-4104; (-)-oseltamivir; GS 4104; GS4104; HSDB 7433; Agucort; UNII-20O93L6F9H; (3R,4R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate; Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; GOP-A-Flu; Ro-640796; Ro-64-0796; CHEBI:7798; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha))-; 20O93L6F9H; Ro 640796; ebilfumin; Oseltamivir [INN:BAN]; oseltamivirum; ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; Agucort (TN); Oseltamivir (INN); Tamiflu (*Phosphate salt 1:1*); SR-05000001499; oseltamivir-phosphate; CHEMBL1229; SCHEMBL32035; BIDD:GT0426; BDBM5025; GS-4071 ETHYL ESTER; DTXSID9044291; GTPL11427; HMS2090C11; EX-A3415; ZINC3929508; AKOS015843442; AKOS015960501; CS-0552; DB00198; DT-0013; MCULE-1441617774; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-cyclohexene-1-carboxylate; Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate; NCGC00095191-06; NCGC00095191-12; NCGC00095191-16; NCGC00178698-01; NCGC00178698-02; NCGC00178698-04; 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-; HY-13317; RO640796; Oseltamivir 100 microg/mL in Acetonitrile; RO64-0796; C08092; D08306; AB00173476-02; AB00173476_04; 618O130; AR-270/43507961; Q211509; SR-05000001499-1; BRD-K76011241-045-01-5; Ethyl (3R, 4R, 5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate; (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy) -1-cyclohexene-1-carboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester; (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)cyclohex-1-enecarboxylic acid ethyl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7798	DB00198	DR00250	.	312.4	C16H28N2O4	90.6	418	1.1	22	2	5	8	"1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1"	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC	VSZGPKBBMSAYNT-RRFJBIMHSA-N
DG00609	Bucillamine	656604	"Bucillamine; 65002-17-7; Rimatil; Tiobutarit; N-(2-Mercapto-2-methylpropionyl)-L-cysteine; De-019; UNII-R80LRA5WTF; (R)-3-mercapto-2-(2-mercapto-2-methylpropanamido)propanoic acid; N-(2-Mercapto-2-methylpropanoyl)-L-cysteine; R80LRA5WTF; N-(2-Mercapto-2-methyl-1-oxopropyl)-L-cysteine; (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid; CHEMBL80830; L-CYSTEINE, N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-; DSSTox_CID_28513; DSSTox_RID_82785; DSSTox_GSID_48587; SA96; Bucilamina; Bucillaminum; (R)-3-Mercapto-2-(2-mercapto-2-methylpropanamido)-propanoic acid; CAS-65002-17-7; Bucilamina [Spanish]; Bucillaminum [Latin]; Bucillamine [INN:JAN]; Bucilant; C7H13NO3S2; CCRIS 5260; N-(2-Mercaptoisobutyryl)cysteine; SA-96; NCGC00182062-02; NCGC00183271-01; Bucilant (TN); N-(2-Mercaptoisobutyryl)-L-cysteine; Bucillamine (JP17/INN); MLS006010100; SCHEMBL121965; DTXSID2048587; CHEBI:31312; ZINC20222; QCR-239; BCP12127; Tox21_112916; Tox21_113147; BDBM50406934; MFCD00867570; RB3025; AKOS015841445; AKOS015895462; AM62722; DB12160; KS-1449; AC-32465; K055; SMR004701240; D01809; 002B177; A834941; SR-01000883966; Q-101254; Q4982752; SR-01000883966-1; (2R)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-sulfanyl-propanoic acid; (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31312	DB12160	.	.	223.3	C7H13NO3S2	68.4	218	0.4	13	4	5	4	"1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1"	CC(C)(C(=O)N[C@@H](CS)C(=O)O)S	VUAFHZCUKUDDBC-BYPYZUCNSA-N
DG00610	Betamethasone	9782	"Betamethasone; 378-44-9; Betadexamethasone; Flubenisolone; Betamethazone; Rinderon; Visubeta; Betacorlan; Betacortril; Betamamallet; Betametasone; Betapredol; Betasolon; Betnelan; Betsolan; Celestene; Methazon; Becort; Bedifos; Cidoten; beta-Methasone; Desacort-Beta; Rinderon A; beta-Methasone alcohol; Betametasona; Betamethasonum; Bebate; 9alpha-Fluoro-16beta-methylprednisolone; SCH 4831; Dermabet; 9-Fluoro-16beta-methylprednisolone; NSC-39470; SCH-4831; UNII-9842X06Q6M; Betafluorene; Betamethasone (Celestone); MFCD00062969; 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; Betamethasone cream; MLS000859943; CHEBI:3077; Betamethasone alcohol; Betametasone [DCIT]; NCS-39470; 9842X06Q6M; (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NCGC00164401-01; SMR000058601; Celestone Syrup and Tablets; Betametasona [INN-Spanish]; Betamethasonum [INN-Latin]; DSSTox_CID_2667; 9a-Fluoro-11b,17a,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione; 16beta-Methyl-1,4-pregnadiene-9alpha-fluoro-11beta,17alpha,21-triol-3,20-dione; DSSTox_RID_76681; DSSTox_GSID_22667; (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.beta.)-; .beta.-Methasone; 9-Fluoro-16.beta.-methylprednisolone; (11beta,16beta)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; Rinderon (TN); .beta.-Methasone alcohol; 9.alpha.-Fluoro-16.beta.-methylprednisolone; 9-alpha-Fluoro-16-beta-methylprednisolone; HSDB 3015; EINECS 206-825-4; NSC 39470; Prednisolone, 9-fluoro-16beta-methyl-; BRN 3176546; NSC39470; Desacort-.beta.; .beta.-Corlan; 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione; NCGC00091019-08; CAS-378-44-9; Prestwick_703; Prednisolone, 9-fluoro-16.beta.-methyl-; 9-Fluoro-11-beta,17,21-trihydroxy-16-beta-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-; Betamethasone, topical; Betamethasone [USAN:USP:INN:BAN:JAN]; Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16beta-methyl-; Betamethasone, >=98%; Prestwick0_000362; Prestwick1_000362; Prestwick2_000362; Prestwick3_000362; CHEMBL632; EC 206-825-4; cid_9782; SCHEMBL4565; 16-beta-Methyl-1,4-pregnadiene-9-alpha-fluoro-11-beta,17-alpha,21-triol-3,20-dione; 9-alpha-Fluoro-16-beta-methyl-1,4-pregnadiene-11-beta,17-alpha,21-triol-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16beta-methyl-; BIDD:PXR0047; BSPBio_000483; 4-08-00-03501 (Beilstein Handbook Reference); MLS001066413; MLS001332616; MLS002153244; SPBio_002404; Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16.beta.-methyl-; BPBio1_000533; GTPL7061; DTXSID3022667; BDBM73823; Betamethasone (JP17/USP/INN); BCPP000345; HMS1569I05; HMS2096I05; HMS2233I08; HMS3713I05; BCP02020; ZINC3876136; Tox21_112115; Tox21_301455; s1500; AKOS008901360; AKOS015894863; Tox21_112115_1; BCP9000393; CCG-220362; CS-1897; DB00443; KS-5302; 9-Fluoro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione; SMP1_000043; Betamethasone Dipropionate EP Impurity A; NCGC00164401-02; NCGC00164401-03; NCGC00255195-01; HY-13570; Betamethasone 100 microg/mL in Acetonitrile; D1961; Betamethasone, meets USP testing specifications; C06848; D00244; D88866; 378M449; Betamethasone, VETRANAL(TM), analytical standard; Q416132; SR-01000780582; SR-01000780582-2; W-106509; BRD-K39188321-001-03-9; Betamethasone, British Pharmacopoeia (BP) Reference Standard; Betamethasone, European Pharmacopoeia (EP) Reference Standard; Betamethasone, pharmaceutical impurity standard, >=95.0% (HPLC); Betamethasone, United States Pharmacopeia (USP) Reference Standard; (11.beta.,16.beta.)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9-.alpha.-Fluoro-11-.beta.,17,21-trihydroxy-16-.beta.-methylpregna-1,4-diene-3,20-dione; 9-alpha-Fluor-11-beta,17-alpha,21-trihydroxy-16-beta-methylpregna-1,4-dien-3,20-dion; 9-fluoro-16beta-methyl-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione; 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; 9alpha-Fluoro-16beta-methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione; Betamethasone, Pharmaceutical Secondary Standard; Certified Reference Material; Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-16.beta.-methyl-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16beta-methyl- (8CI); Pregna-1,4-diene-3,20-dione, 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-; (1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; 16-.beta.-Methyl-1,4-pregnadiene-9-.alpha.-fluoro-11-.beta.,17-.alpha.,21-triol-3,20-dione; 9-.alpha.-Fluoro-11-.beta.,17-.alpha.,21-trihydroxy-16-.beta.-methylpregna-1,4-diene-3,20-dione; 9-.alpha.-Fluoro-16-.beta.-methyl-1,4-pregnadiene-11-.beta.,17-.alpha.,21-triol-3,20-dione; 9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, (11.beta.,16.beta.) #; Betamethasone; 9-Fluoro-11 ,17,21-trihydroxy-16 -methylpregna-1,4-diene-3,20-dione; (11 ,16 )-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 9 -Fluoro-16 -methylprednisolone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3077	DB00443	DR01392	.	392.5	C22H29FO5	94.8	805	1.9	28	3	6	2	"1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	UREBDLICKHMUKA-DVTGEIKXSA-N
DG00611	Methylprednisolone	6741	"Methylprednisolone; 83-43-2; Medrol; Metilprednisolone; Medrone; Urbason; 6alpha-Methylprednisolone; Metilbetasone; Medrate; Dopomedrol; Promacortine; Besonia; Medesone; Mesopren; Metastab; Metrisone; Moderin; Noretona; Solomet; Urbasone; Wyacort; Methylprednisolon; Methyleneprednisolone; Metilprednisolone [DCIT]; delta(1)-6alpha-Methylhydrocortisone; 1-Dehydro-6alpha-methylhydrocortisone; Metilprednisolona; Methylprednisolonum; NSC-19987; Methylprednisolonum [INN-Latin]; Metilprednisolona [INN-Spanish]; 6-alpha-Methylprednisolone; Suprametil; Medrol dosepak; Medrol adt pak; 6alpha-Methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione; UNII-X4W7ZR7023; CHEBI:6888; 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; (6alpha,11beta)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; Prednisolone, methyl-; Methylprednisolone, 6-alpha; 11beta,17alpha,21-Trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione; 6alpha-Methylprednisolone base; U 7532; MLS000028541; (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; Sieropresol; Esametone; Firmacort; Medixon; Metrocort; Metysolon; Nirypan; Reactenol; Artisone-wyeth; X4W7ZR7023; MEPRDL; Predni N Tablinen; Medlone 21; SMR000058330; 6alpha-Methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione; DSSTox_CID_3300; Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6a,11b)-; Prednol- L; DSSTox_RID_76965; DSSTox_GSID_23300; Depo-Medrol (acetate); Summicort; CAS-83-43-2; Prednisolone, 6alpha-methyl-; HSDB 3127; MLS002638721; EINECS 201-476-4; Prednisolone, 6.alpha.-methyl-; BRN 2340300; delta(sup 1)-6-alpha-Methylhydrocortisone; .DELTA.1-6.alpha.-Methylhydrocortisone; NCGC00016330-01; Prestwick_622; Medrol (TN); Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-; 6 -Methylprednisolone; Methylprednisolone [USP:INN:BAN:JAN]; Opera_ID_1576; Prestwick0_000279; Prestwick1_000279; Prestwick2_000279; Prestwick3_000279; 6alpha-methyl prednisolone; 11-beta,17,21-Trihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-; CHEMBL650; EC 201-476-4; 6.alpha.-Methylprednisolone; SCHEMBL5084; BSPBio_000158; 4-08-00-03498 (Beilstein Handbook Reference); MLS001148159; MLS002207191; SPBio_002377; BPBio1_000174; GTPL7088; DTXSID7023300; HMS1568H20; HMS2090B13; HMS2095H20; HMS2230D16; HMS3259J04; HMS3712H20; 6alpha-Methylprednisolone, >=98%; HY-B0260; NSC19987; ZINC3875560; Tox21_110376; Tox21_302018; BDBM50103616; LMST02030178; Methylprednisolone (JP17/USP/INN); MFCD00010591; s1733; AKOS015969744; Pregna-1,4-diene-3,20-dione, 6-alpha-methyl-11-beta-17,21-trihydroxy-; Tox21_110376_1; CCG-220279; DB00959; J3.872E; KS-1273; NC00691; NCGC00022735-03; NCGC00022735-06; NCGC00255269-01; H972; NCI60_001657; M1665; C16437; D00407; 010M591; A855290; Q417222; SR-01000003089; Q-201395; SR-01000003089-2; BRD-K35240538-001-03-1; BRD-K35240538-001-11-4; BRD-K35240538-001-26-2; 6-alpha-Methylprednisolone 100 microg/mL in Acetonitrile; 6alpha-Methylprednisolone, VETRANAL(TM), analytical standard; 11 ,17 ,21-Trihydroxy-6 -methyl-1,4-pregnadiene-3,20-dione; 11beta,17,21-trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione; Methylprednisolone, British Pharmacopoeia (BP) Reference Standard; Methylprednisolone, European Pharmacopoeia (EP) Reference Standard; Pregna-1,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-; Pregna-1,20-dione, 6.alpha.-methyl-11.beta.-17,21-trihydroxy-; (6 ,11 )-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; (6a,11b)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; 11beta,17alpha,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; Methylprednisolone, United States Pharmacopeia (USP) Reference Standard; Methylprednisolone for system suitability A, EuropePharmacopoeia (EP) Reference Standard; Methylprednisolone for system suitability, European Pharmacopoeia (EP) Reference Standard; Methylprednisolone, Pharmaceutical Secondary Standard; Certified Reference Material; Pregna-1,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6I+/-,11I(2))-; Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl- (8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6888	DB00959	DR00128	DR1056	374.5	C22H30O5	94.8	754	1.9	27	3	5	2	"1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O	VHRSUDSXCMQTMA-PJHHCJLFSA-N
DG00612	Hydrocortisone	5754	"Hydrocortisone; Cortisol; 50-23-7; Acticort; Cetacort; Hydrasson; Hydrocortisyl; Cobadex; Cortef; Hydrocortone; Hycort; Hytone; Signef; 17-Hydroxycorticosterone; Optef; Kendall's compound F; Cortanal; Cortenema; Corticreme; Cortifan; Cortiment; Cortispray; Cortonema; Dermacort; Dermolate; Efcorbin; Efcortelan; Ficortril; Genacort; Hycortol; Hycortole; Permicort; Proctocort; Tarcortin; Traumaide; Alacort; Cleiton; Cortril; Dihydrocostisone; Hytone lotion; Hidro-Colisona; Hydro-Adreson; Scheroson F; Incortin-H; Reichstein's substance M; Cort-Dome; Domolene-HC; Epiderm H; Esiderm H; Otosone-F; Polcort H; Cortolotion; Cortoxide; Cremesone; Eldercort; Heb-Cort; Maintasone; Delacort; Dioderm; Eldecort; Epicort; Mildison; Penecort; Rectoid; Anflam; Hydrocorticosterone; Hydroxycortisone; H-Cort; Hydro-Colisona; Cortisol alcohol; Incortin-hydrogen; Ala-Scalp; Aeroseb-HC; Barseb HC; Dermocortal; Nutracort; Synacort; Timocort; Evacort; Komed HC; Hydrocortisone base; Lacticare-HC; Texacort lotion 25; Ala-Cort; Anti-inflammatory hormone; Hydrocortisone alcohol; Algicirtis; Aquacort; Cortesal; Cortisolonum; Flexicort; Hidalone; Hytisone; Kyypakkaus; Lactisona; Lubricort; Meusicort; Milliderm; Sanatison; Schericur; Sigmacort; Stiefcorcil; Texacort; Amberin; Cutisol; Dermil; Uniderm; Foille Insetti; Gyno-Cortisone; Transderma H; Basan-Corti; Clear aid; Cremicort-H; Dome-cort; Neosporin-H Ear; Remederm HC; Aquanil HC; Cortisporin Otico; Derm-Aid; Heb Cort; Scalpicin Capilar; Systral Hydrocort; Prevex HC; Cortisporin; Efcortelin; Fiocortril; Hidrocortisona; Hydrocortisone free alcohol; Hydrocortisonum; Proctofoam; Alphaderm; Hydracort; Medicort; Otocort; Zenoxone; Drotic; Vytone; 11beta-Hydroxycortisone; Nystaform-HC; Aeroseb HC; CaldeCORT Spray; Pediotic Suspension; VoSol HC; Idrocortisone; 17alpha-Hydroxycorticosterone; Hydrocortal; Hydroskin; Otalgine; Otobiotic; Protocort; Hysone; Racet; Ef corlin; 11beta-Hydrocortisone; Compound F; Lacticare HC; Compound F (kendall); 11-beta-Hydrocortisone; 11-beta-Hydroxycortisone; Hydrocortisone (Cortisol); Chronocort; Hydrocort; Plenadren; Preparation H Hydrocortisone Cream; Neo-Cort-Dome; 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione; Otic-Neo-Cort-Dome; 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione; NSC 10483; HC; UNII-WI4X0X7BPJ; [3H]cortisol; (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione; Prestwick_265; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 4-Pregnene-11beta,17alpha,21-triol-3,20-dione; CHEBI:17650; 11beta,17alpha,21-Trihydroxypregn-4-ene-3,20-dione; NSC10483; 11.beta.-Hydrocortisone; Dermaspray; MFCD00011654; NSC-10483; WI4X0X7BPJ; 11beta,17,21-Trihydroxyprogesterone; 11.beta.-Hydroxycortisone; Ophthocort; Terra-cortril; MLS000069609; 17.alpha.-Hydroxycorticosterone; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-; 4-Pregnen-11beta,17alpha,21-triol-3,20-dione; Idrocortisone [DCIT]; Genacort (lotion); Anucort; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11b)-; Prepcort; SMR000059022; DSSTox_CID_714; Hydrocortisonum [INN-Latin]; Proctozone HC; Scalp-Cort; Hidrocortisona [INN-Spanish]; Rectasol-HC; Anucort-HC; Hydro-RX; DSSTox_RID_75753; DSSTox_GSID_20714; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; HC (HYDROCORTISONE); Corhydron; (11alpha,14beta)-11,17,21-Trihydroxypregn-4-Ene-3,20-Dione; DuoCort; HYDROCORTISONE IN ABSORBASE; Proctosol-HC; HC #1; HC #4; Acticort (TN); Colocort (TN); (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; SMR000653523; Cortef (TN); Hytone (TN); Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-; CCRIS 5854; component of Otalgine; Anusol HC (TN); component of Lubricort; COR-OTICIN; HSDB 3339; EINECS 200-020-1; component of Neo-Cort-Dome; Cortizol; Efmody; AI3-25006; 3h-cortisol; 11beta-cortisol; CAS-50-23-7; 11-Hydrocortisone; Plenadren (TN); NCGC00022848-06; 11b-Hydrocortisone; Kendalls compound F; Hydrocortisone [USP:INN:BAN:JAN]; Drotic (Salt/Mix); 11b-Hydroxycortisone; Otocort (Salt/Mix); Pregn-4-ene-3,20-dione, 11beta,17,21-trihydroxy-; Otalgine (Salt/Mix); Hydrocortisone, 98%; 11,17,21-Trihydroxypregn-4-ene-3,20-dione; Alphaderm (Salt/Mix); Hydrocortisone, topical; Otobiotic (Salt/Mix); Reichsteins substance M; 4p6x; Cort-Quin (Salt/Mix); Cortisporin (Salt/Mix); VoSol HC (Salt/Mix); 11a-Hydroxycorticosterone; 17a-Hydroxycorticosterone; Opera_ID_1292; Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11-beta)-; Prestwick0_000447; Prestwick1_000447; Prestwick2_000447; Prestwick3_000447; Epitope ID:174851; UPCMLD-DP133; EC 200-020-1; H 4001; SCHEMBL4148; Neo-Cort-Dome (Salt/Mix); Lopac0_000594; 11alpha-Hydroxycorticosterone; BSPBio_000494; MLS001148103; MLS002207135; MLS002222189; MLS002548868; SPBio_002433; BPBio1_000544; CHEMBL389621; GTPL2868; Pediotic Suspension (Salt/Mix); DTXSID7020714; UPCMLD-DP133:001; BDBM13775; Otic-Neo-Cort-Dome (Salt/Mix); 2v95; Hydrocortisone (JP17/USP/INN); HMS1569I16; HMS2090M04; HMS2096I16; HMS2230B18; HMS2235F17; HMS3259C05; HMS3261H10; HMS3713I16; Hydrocortisone, >=98% (HPLC); Vioform-Hydrocortisone (Salt/Mix); 11b,17,21-Trihydroxyprogesterone; BCP09054; HY-N0583; Tox21_110883; Tox21_200815; Tox21_500594; LMST02030001; s1696; ZINC13540519; AKOS001582651; Tox21_110883_1; CCG-204683; DB00741; LP00594; MCULE-8953627920; NC00456; SDCCGSBI-0050576.P003; 11.beta.,17,21-trihydroxyprogesterone; SMP1_000156; NCGC00022848-07; NCGC00022848-09; NCGC00022848-10; NCGC00022848-11; NCGC00022848-12; NCGC00022848-13; NCGC00022848-14; NCGC00022848-15; NCGC00022848-17; NCGC00022848-26; NCGC00258369-01; NCGC00261279-01; (1S,10S,11S,15S,17S,2R,14R)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-5-one; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; AC-12902; AS-11651; BP-20390; NCI60_000118; 4-Pregnene-11alpha,21-triol 3,20-dione; B1951; EU-0100594; 4-Pregnene-11b,17a,21-triol-3,20-dione; 50H237; C00735; D00088; J10114; U 1851; Hydrocortisone, meets USP testing specifications; Pregn-4-ene-3, 11.beta.,17,21-trihydroxy-; 11 ,17 ,21-Trihydroxypregn-4-ene-3,20-dione; A929789; Hydrocortisone, VETRANAL(TM), analytical standard; Q190875; SR-01000000139; Q-201211; SR-01000000139-3; 11.beta.,17,21-Trihydroxypregn-4-ene-3,20-dione; BRD-K93568044-001-03-1; BRD-K93568044-001-11-4; BRD-K93568044-001-32-0; Hydrocortisone, BioReagent, suitable for cell culture; 4-Pregnen-11.beta.,17.alpha.,21-triol-3,20-dione; 4-Pregnene-11.beta.,17.alpha.,21-triol-3,20-dione; Pregn-4-ene-3,20-dione, 11.beta.,17,21-trihydroxy-; Z2786051549; (11beta)-11,17,21-Trihydroxy-pregn-4-ene-3,20-dione; 11.beta.,17.alpha.,21-Trihydroxy-4-pregnene-3,20-dione; 11.beta.,17.alpha.,21-Trihydroxypregn-4-ene-3,20-dione; B48448A1-24BA-47CA-8D9E-43E5BC949386; Hydrocortisone, British Pharmacopoeia (BP) Assay Standard; Pregn-4-ene-3, 11,17,21-trihydroxy-, (11.beta.)-; 11,17,21-Trihydroxypregn-4-ene-3,20-dione, (11.beta.)-; Hydrocortisone, European Pharmacopoeia (EP) Reference Standard; Hydrocortisone, United States Pharmacopeia (USP) Reference Standard; Hydrocortisone-Water Soluble, BioReagent, suitable for cell culture; Hydrocortisone, gamma-irradiated, powder, BioXtra, suitable for cell culture; 4-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide; Cortisol solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Hydrocortisone for peak identification, European Pharmacopoeia (EP) Reference Standard; Hydrocortisone solution, 50 muM, sterile-filtered, BioXtra, suitable for cell culture; Hydrocortisone, Pharmaceutical Secondary Standard; Certified Reference Material; (10R,13S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17650	DB00741	DR00230	DR0819	362.5	C21H30O5	94.8	684	1.6	26	3	5	2	"1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	JYGXADMDTFJGBT-VWUMJDOOSA-N
DG00613	Indomethacin	3715	"Indomethacin; 53-86-1; indometacin; Indocin; Indometacine; Indomethacine; Indocid; Metindol; Indomethazine; Reumacide; Imbrilon; Amuno; Tannex; Indomethacinum; Artracin; Artrinovo; Artrivia; Confortid; Idomethine; Indomecol; Indoptic; Indoptol; Inflazon; Infrocin; Metartril; Methazine; Mikametan; Sadoreum; Dolovin; Inacid; Indacin; Indomed; Indomee; Lausit; Metacen; Mobilan; Indo-rectolmin; Indo-tablinen; Inteban sp; Indometacyna; Indometicina; Mezolin; Durametacin; Indometacinum; 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid; Indometacina; Dolcidium; Elmetacin; Indomethine; Indorektal; Catlep; Indoxen; Vonum; Indo-phlogont; Chibro-amuno; Rheumacin LA; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-; Osmosin; Aconip; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; CCRIS 3502; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; HSDB 3101; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; NCI-C56144; UNII-XXE1CET956; MFCD00057095; CHEMBL6; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; IMN; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-; Indo-Lemmon; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; Indocin Sr; XXE1CET956; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid; N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid; MLS000069402; Indomethacin (Indocid, Indocin); (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid; CHEBI:49662; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid; Indomet 140; alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid; NSC-757061; CAS-53-86-1; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico; NCGC00015562-18; Indmethacine; Indomethancin; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid; Arthrexin; Bonidin; Bonidon; Indameth; Indomod; Miametan; SMR000058195; Indomo; Flexin continus; Hicin; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy; Chrono-indicid; Chrono-indocid; Indometacyna [Polish]; DSSTox_CID_740; Bonidon Gel; Indometicina [Spanish]; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid; Dolcidium PL; Indo-Spray; Indolar SR; DSSTox_RID_75763; DSSTox_GSID_20740; Indometacine [INN-French]; Indometacinum [INN-Latin]; Indometacina [INN-Spanish]; 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid; Tivorbex; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid; Indocin-SR; Indochron E-R; Indocin (TN); Aconip (TN); Indomethacin (USP); FLAM; NSC-77541; Indocid (pharmaceutical); SR-01000000014; EINECS 200-186-5; Indomethacin & MAP-30; Indomethacin [USAN:USP]; BRN 0497341; Indocollyre; Indonol; Innamit; Inteban; 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid; 4kyk; Indomethacin,(S); Prestwick_597; Indometacin [INN]; Opera_ID_56; Spectrum_000919; Tocris-1708; 1z9h; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German]; 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish]; Prestwick0_000272; Prestwick1_000272; Prestwick2_000272; Prestwick3_000272; Spectrum2_000970; Spectrum3_000468; Spectrum4_000018; Spectrum5_000868; Lopac-I-7378; Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish]; MolMap_000032; UPCMLD-DP023; EC 200-186-5; I 7378; Indometacin (JP17/INN); SCHEMBL9300; Lopac0_000692; Oprea1_686105; BSPBio_000144; BSPBio_001149; BSPBio_002176; KBioGR_000395; KBioGR_000489; KBioSS_000489; KBioSS_001399; 5-22-05-00239 (Beilstein Handbook Reference); MLS001074194; MLS006011845; BIDD:GT0132; DivK1c_000271; SPECTRUM1500350; SPBio_000979; SPBio_002363; BPBio1_000160; GTPL1909; DTXSID9020740; Indomethacin, >=99% (TLC); UPCMLD-DP023:001; BDBM17638; CGIGDMFJXJATDK-UHFFFAOYSA-; HMS500N13; KBio1_000271; KBio2_000489; KBio2_001399; KBio2_003057; KBio2_003967; KBio2_005625; KBio2_006535; KBio3_000897; KBio3_000898; KBio3_001396; 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure; Indomethacin - CAS 53-86-1; NINDS_000271; Bio2_000405; Bio2_000885; HMS1362I11; HMS1568H06; HMS1792I11; HMS1920F21; HMS1990I11; HMS2089N19; HMS2091N09; HMS2095H06; HMS2231J10; HMS3262K05; HMS3268A14; HMS3374F07; HMS3403I11; HMS3414N13; HMS3430L03; HMS3649K17; HMS3655O04; HMS3678N11; HMS3712H06; HMS3747K21; HMS3884E08; Pharmakon1600-01500350; ZINC601283; ACT02579; BCP18951; Indomethacin, >=99.0% (TLC); Tox21_113109; Tox21_201791; Tox21_300266; Tox21_500692; AC-532; CCG-40186; NSC757061; s1723; STL257874; AKOS000592893; Tox21_113109_1; AT13679; DB00328; Indometacin 1.0 mg/ml in Acetonitrile; KS-5255; LP00692; MCULE-5636486088; NSC 757061; SDCCGSBI-0050670.P005; IDI1_000271; IDI1_002160; NCGC00015562-01; NCGC00015562-02; NCGC00015562-03; NCGC00015562-04; NCGC00015562-05; NCGC00015562-06; NCGC00015562-07; NCGC00015562-08; NCGC00015562-09; NCGC00015562-10; NCGC00015562-11; NCGC00015562-12; NCGC00015562-13; NCGC00015562-14; NCGC00015562-15; NCGC00015562-16; NCGC00015562-17; NCGC00015562-19; NCGC00015562-20; NCGC00015562-21; NCGC00015562-22; NCGC00015562-24; NCGC00015562-25; NCGC00015562-40; NCGC00024135-02; NCGC00024135-04; NCGC00024135-05; NCGC00024135-06; NCGC00024135-07; NCGC00024135-08; NCGC00024135-09; NCGC00024135-10; NCGC00024135-11; NCGC00024135-12; NCGC00024135-13; NCGC00024135-14; NCGC00024135-15; NCGC00254075-01; NCGC00259340-01; NCGC00261377-01; BI166166; BP-30207; H911; HY-14397; NCI60_041708; SBI-0050670.P004; DB-052413; AB00052022; EU-0100692; FT-0603227; I0655; SW196768-5; Indomethacin, meets USP testing specifications; BIM-0050670.0001; C01926; D00141; J10170; S00108; AB00052022-20; AB00052022-21; AB00052022_23; AB00052022_24; L000959; Q409231; Indomethacin, Antibiotic for Culture Media Use Only; Q-201239; SR-01000000014-2; SR-01000000014-4; SR-01000000014-6; BRD-K57222227-001-06-1; BRD-K57222227-001-18-6; BRD-K57222227-001-27-7; SR-01000000014-10; SR-01000000014-16; Z56784896; 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid; 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid; 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid; 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid; 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid; 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-Indole-3-acetic acid; Indomethacin, European Pharmacopoeia (EP) Reference Standard; N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid; Indomethacin, United States Pharmacopeia (USP) Reference Standard; .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid; [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid #; 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30; 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI); 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid; 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid; Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI); Indomethacin, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49662	DB00328	DR00267	DR0875	357.8	C19H16ClNO4	68.5	506	4.3	25	1	4	4	"1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)"	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	CGIGDMFJXJATDK-UHFFFAOYSA-N
DG00614	Azathioprine 	2265	"Azathioprine; 446-86-6; Imuran; Azothioprine; Azathioprin; Azatioprin; Azamun; Azanin; Azathiopurine; Imurel; Azasan; Ccucol; Imurek; Muran; Rorasul; BW 57-322; NSC-39084; BW-57-322; NCI-C03474; 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine; Imuran (TN); NSC 39084; 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine; UNII-MRK240IY2L; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purine; 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine; Azathioprine (Azasan, Imuran); 1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-; 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-; 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine; 6-(Methyl-p-nitro-5-imidazolyl)-thiopurine; MFCD00069203; MRK240IY2L; BW 57322; Azamun [Czech]; 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-7H-purine; CHEBI:2948; B. W. 57-322; NSC39084; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine; Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)-; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine; NCGC00015060-06; NCGC00015060-14; Azatioprina; CAS-446-86-6; DSSTox_CID_119; 6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine; DSSTox_RID_75381; DSSTox_GSID_20119; Azathioprinum [INN-Latin]; Azatioprina [INN-Spanish]; Azamune; Methylnitroimidazolylmercaptopurine; CCRIS 62; Azasan (TN); HSDB 7084; SR-01000075537; Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-; EINECS 207-175-4; 6-(1-methyl-4-nitro-1H-imidazol-5-ylthio)-9H-purine; 6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine; azanine; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin [Czech]; Azothioprin; Jayempi; Azoran; AI3-50290; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin; Prestwick_41; Azathiopurine,(S); [Methyl(nitroimidazolyl)mercaptopurine]; Azathioprine [USAN:USP:INN:BAN:JAN]; Spectrum_000064; Azathioprine, >=98%; 6-(Methyl-p-nitro-5-imidazolyl)thiopurine; Prestwick0_000094; Prestwick1_000094; Prestwick2_000094; Prestwick3_000094; Spectrum2_000068; Spectrum3_000308; Spectrum4_000243; Spectrum5_000848; Lopac-A-4638; ChemDiv1_002659; 6-(1-Methyl-p-nitro-5-imidazolyl)thiopurine; A 4638; Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl); SCHEMBL4278; CHEMBL1542; Lopac0_000027; Oprea1_375441; Oprea1_533384; Oprea1_633462; BSPBio_000048; BSPBio_001876; CBDivE_013132; KBioGR_000646; KBioGR_002427; KBioSS_000464; KBioSS_002433; AI-981/34845012; MLS001049307; DivK1c_000586; SPECTRUM1500133; SPBio_000255; SPBio_001987; BPBio1_000054; GTPL7120; DTXSID4020119; Azathioprine (JP17/USP/INN); HMS501N08; HMS594I19; KBio1_000586; KBio2_000464; KBio2_002427; KBio2_003032; KBio2_004995; KBio2_005600; KBio2_007563; KBio3_001376; KBio3_002906; cMAP_000046; NINDS_000586; 6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine; HMS1568C10; HMS1920E17; HMS2091K19; HMS2095C10; HMS2802J03; HMS3259P03; HMS3260E15; HMS3655M04; HMS3712C10; Pharmakon1600-01500133; ACT02232; BCP09492; HY-B0256; ZINC4258316; Tox21_110074; Tox21_400024; Tox21_500027; BDBM50373919; CCG-16168; CCG-39877; NSC755900; s1721; STK831906; AKOS005609209; AKOS028108935; Tox21_110074_1; AC-4230; CCG-220094; DB00993; KS-1146; LP00027; MCULE-8637589610; NC00614; NSC-755900; SDCCGMLS-0065415.P001; SDCCGSBI-0050016.P005; IDI1_000586; NCGC00015060-01; NCGC00015060-02; NCGC00015060-03; NCGC00015060-04; NCGC00015060-05; NCGC00015060-07; NCGC00015060-08; NCGC00015060-09; NCGC00015060-10; NCGC00015060-11; NCGC00015060-12; NCGC00015060-13; NCGC00015060-15; NCGC00015060-16; NCGC00015060-18; NCGC00015060-19; NCGC00015060-29; NCGC00090836-01; NCGC00090836-02; NCGC00090836-03; NCGC00090836-04; NCGC00090836-05; NCGC00090836-06; NCGC00094593-01; NCGC00094593-02; NCGC00094593-03; NCGC00260712-01; BA166065; L996; SMR000427366; 6-1'-Methyl,5'-imidazolyl mercaptopurine; SBI-0050016.P003; Azathioprine 100 microg/mL in Acetonitrile; 6-(1-Methyl-4-nitromidazol-5-ylthio)purine; AB00443544; EU-0100027; FT-0602904; FT-0662375; SW198560-2; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purine; Azathioprine, meets USP testing specifications; C06837; D00238; D70170; Q18939; AB00443544-03; AB00443544-11; AB00443544_12; AB00443544_13; 055A974; 446A866; A826664; SR-01000762955; 6-(1-Methyl-4-nitro-5-imidazolythio)-9H-pur-ine; SR-01000075537-1; SR-01000075537-4; SR-01000762955-2; BRD-K32821942-001-05-6; BRD-K32821942-001-10-6; BRD-K60324116-001-01-5; WLN: T56 BM DN FN HNJ IS- ET5N CNJ A1 DNW; Z57063156; 6-((1-methyl-4-nitro-1h-imidazol-5-yl)thio)-1h-purin; 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine; 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; Azathioprine, European Pharmacopoeia (EP) Reference Standard; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine #; Azathioprine, United States Pharmacopeia (USP) Reference Standard; Azathioprine, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2948	DB00993	DR00113	DR0164	277.27	C9H7N7O2S	143	354	0.1	19	1	7	2	"1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)"	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	LMEKQMALGUDUQG-UHFFFAOYSA-N
DG00615	Celecoxib	2662	"Celecoxib; 169590-42-5; Celebrex; Celebra; Onsenal; Celocoxib; Celecox; SC 58635; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; SC-58635; YM177; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; 184007-95-2; YM 177; C17H14F3N3O2S; HSDB 7038; UNII-JCX84Q7J1L; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; MFCD00941298; SC58635; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide; 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; YM-177; CHEMBL118; JCX84Q7J1L; 194044-54-7; CHEBI:41423; 4-(5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; NSC-719627; NSC-758624; NCGC00091455-01; Xilebao; DSSTox_CID_2777; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonami de; benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-; DSSTox_RID_76725; DSSTox_GSID_22777; Solexa; Benzenesulfonamide, 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-; Celebrex (TN); SMR000550473; CAS-169590-42-5; SR-01000837528; Celecoxibum; Celecoxib [USAN:INN:BAN]; CCRIS 9330; TPI-336; Celecoxib- Bio-X; Celecoxib-[d4]; Onsenal (TN); AI-525; CEP-33222; CELEBCOXIB; Spectrum_000432; 1oq5; Spectrum2_001576; Spectrum3_001996; Spectrum4_000182; Spectrum5_001324; cid_2662; SCHEMBL3708; Celecoxib (JAN/USP/INN); DFN15; BSPBio_003596; KBioGR_000723; KBioGR_002351; KBioSS_000912; KBioSS_002354; MLS001165684; MLS001195656; MLS001304708; MLS006011862; BIDD:GT0408; DivK1c_000893; SPECTRUM1503678; SPBio_001512; DFN-15; GTPL2892; Celecoxib, >=98% (HPLC); DTXSID0022777; BDBM11639; HMS502M15; KBio1_000893; KBio2_000912; KBio2_002351; KBio2_003480; KBio2_004919; KBio2_006048; KBio2_007487; KBio3_002830; KBio3_003037; EX-A175; SYN3015; cMAP_000027; NINDS_000893; BCPP000290; Elyxyb (DFN-15; oral solution); HMS1922G14; HMS2089L18; HMS2093I07; HMS2234N18; HMS3259L08; HMS3261A14; HMS3373A09; HMS3654H09; HMS3715F11; HMS3867I03; HMS3884M07; Pharmakon1600-01503678; ACT02648; ALBB-033772; BCP02156; ZINC2570895; Tox21_111135; Tox21_201964; Tox21_300599; Tox21_500406; US8741944, Comparative Compound; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; BBL029086; CCG-39354; NSC719627; NSC758624; s1261; STL373576; Celecoxib 1.0 mg/ml in Acetonitrile; AKOS015842517; Tox21_111135_1; AC-4228; AM84588; BCP9000507; CS-0570; DB00482; KS-1041; MCULE-4750749400; NC00708; NSC 719627; NSC 758624; SB19318; IDI1_000893; NCGC00091455-02; NCGC00091455-03; NCGC00091455-04; NCGC00091455-05; NCGC00091455-06; NCGC00091455-07; NCGC00091455-08; NCGC00091455-09; NCGC00091455-13; NCGC00254540-01; NCGC00259513-01; NCGC00261091-01; BC164295; BP-30217; HY-14398; NCI60_041049; PHA-00846533; SY064976; SBI-0051875.P002; CJ-016377; CP-598107; UNM-0000305813; FT-0601628; FT-0623536; FT-0700357; SW199611-3; PF-00345549; A25046; C07589; D00567; J10035; AB00052396-07; AB00052396-08; AB00052396-09; AB00052396_10; AB00052396_11; 590C425; Q408801; J-010566; J-520011; Q-200816; SR-01000837528-2; SR-01000837528-3; BRD-K02637541-001-02-4; BRD-K02637541-001-06-5; Z2210694606; Celecoxib, European Pharmacopoeia (EP) Reference Standard; Celecoxib, United States Pharmacopeia (USP) Reference Standard; 4-[5-(p-Tolyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide; 4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-yl]benzenesulfonamide; 5-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazole; Celecoxib, Pharmaceutical Secondary Standard; Certified Reference Material; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide; Benzenesulfonamide,4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-; 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-pyrazol-1-yl]benzenesulfonamide;4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41423	DB00482	DR00520	DR0286	381.4	C17H14F3N3O2S	86.4	577	3.4	26	1	7	3	"1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)"	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F	RZEKVGVHFLEQIL-UHFFFAOYSA-N
DG00616	Germacrone	6436348	"Germacrone; 6902-91-6; (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone; Germacron; (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one; Germacrone,(S); Germacrol (obsol;); UNII-E2WQ6N4FBP; E2WQ6N4FBP; Germacrone, analytical standard; SCHEMBL2551615; SCHEMBL14215872; CHEBI:80830; HY-N0440; MFCD00210050; s9311; ZINC31308583; AKOS016009673; CCG-266711; NCGC00482596-01; AC-34324; CS-0008961; G0519; N1500; V0249; (E,E)-Germacra-3,7(11),9-trien-6-one; C16966; 902G916; Q-100776; Q15410959; trans,trans-3,7-dimethyl-10-isopropylidene-3,7-cyclodecadien-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	218.33	C15H22O	17.1	363	3.5	16	0	1	0	"1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+"	C/C/1=C\\CC(=C(C)C)C(=O)C/C(=C/CC1)/C	CAULGCQHVOVVRN-SWZPTJTJSA-N
DG00617	Cabozantinib	25102847	"Cabozantinib; 849217-68-1; Cometriq; XL184; XL-184; BMS-907351; XL 184; BMS 907351; Cabozantinib (XL184, BMS-907351); UNII-1C39JW444G; CHEBI:72317; XL-184 free base; BMS907351; 1C39JW444G; MFCD20926324; N'-[4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]PHENYL]-N-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE; Cabometyx (TN); Cometriq (TN); 1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; C28H24FN3O5; N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1- dicarboxamide; N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; XL184 cpd; Cabozantinib [USAN:INN]; Carbozantinib; XL184 free base; Cabozantinib (USAN); Cabozantinib (free base); SCHEMBL360795; GTPL5887; Cabozantinib (BMS-907351); CHEMBL2105717; DTXSID10233968; EX-A075; QCR-122; SYN1138; XL184 free base - Cabozantinib; BCPP000308; BMS-907351 FREE BASE; HMS3654G06; XL-184 free base (Cabozantinib); AOB87755; BCP02591; 849217-68-1 (free base); BDBM50021574; NSC761068; NSC800066; s1119; ZINC70466416; AKOS025142112; BCP9000470; CCG-264678; CS-0278; DB08875; NSC-761068; NSC-800066; SB20062; XL-184 (Cabozantinib,BMS907351); XL-184,Cabozantinib, BMS-907351; NCGC00263164-01; NCGC00263164-14; NCGC00263164-17; 1,1-Cyclopropanedicarboxamide, N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-; 1,1-Cyclopropanedicarboxamide,N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)-; AC-25082; AS-16277; HY-13016; n-(4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; SY097158; DB-023624; FT-0664184; SW218093-3; X7477; D10062; AB01565831_02; Q795057; SR-01000941569; J-523016; SR-01000941569-1; BRD-K51544265-001-01-8; 1,1-Cyclopropanedicarboxamide, N'-(4-((6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4- fluorophenyl)-; cyclopropane-1,1-dicarboxylic acid [4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide(4-fluoro-phenyl)-amide; cyclopropane-1,1-dicarboxylic acid[4-(6,7-dimethoxy-quinoline-4-yloxy)-phenyl]-amide (4-fluoro-phenyl)-amide; N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4 fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(4-{[6,7-bis(methyloxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; N-[4-[(6,7-Dimethoxyquinolin-4-yl)oxy]phenyl]-N inverted exclamation mark -(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72317	DB08875	.	DR0254	501.5	C28H24FN3O5	98.8	795	5.4	37	2	7	8	"1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)"	COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F	ONIQOQHATWINJY-UHFFFAOYSA-N
DG00618	Lenvatinib	9823820	"Lenvatinib; 417716-92-8; E7080; Lenvima; 4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide; E7080 (Lenvatinib); Lenvatinib (E7080); E 7080; E-7080; Lenvatinib free base; ER-203492-00; UNII-EE083865G2; 4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide; 4-{3-Chloro-4-[(Cyclopropylcarbamoyl)amino]phenoxy}-7-Methoxyquinoline-6-Carboxamide; 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide; CHEMBL1289601; CHEBI:85994; 417716-92-8 (free base); EE083865G2; 4-(3-chloro-4-(N'-cyclopropylureido)phenoxy)-7-methoxyquinoline-6-carboxamide; Lenvatinib [USAN:INN]; Kisplyx; 4-(3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; LEV; LenvatinibE7080); Lenvatinib; E7080; Lenvatinib base- Bio-X; Lenvatinib (USAN/INN); MLS006011239; SCHEMBL864638; GTPL7426; AMY9240; DTXSID50194605; EX-A249; QCR-115; SYN1038; BCPP000247; HMS3244A07; HMS3244A08; HMS3244B07; HMS3654A14; AOB87766; BCP01799; ZINC3816292; BDBM50331094; MFCD16038644; NSC755980; NSC800781; s1164; AKOS025401742; BCP9000633; CCG-264842; CS-0109; DB09078; NSC-755980; NSC-800781; SB16580; 4-(3-chloro-4-((cyclopropylaminocarbonyl)amino)phenoxy)-7-methoxy-6-quinolinecarboxamide; NCGC00263198-01; NCGC00263198-04; NCGC00263198-07; AC-25047; AS-16203; BL164616; HY-10981; SMR004702999; DB-070219; FT-0700727; SW219259-1; D09919; 716C928; A825653; J-513372; Q6523413; BRD-K39974922-001-02-7; 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; 6-Quinolinecarboxamide, 4-(3-chloro-4- (((cyclopropylamino)carbonyl)amino)phenoxy)-7-methoxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB09078	DR00265	.	426.9	C21H19ClN4O4	116	634	2.8	30	3	5	6	"1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)"	COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl	WOSKHXYHFSIKNG-UHFFFAOYSA-N
DG00619	Vandetanib	3081361	"Vandetanib; 443913-73-3; Zactima; ZD6474; Caprelsa; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine; vandetanib (zd6474); ZD 6474; ZD-6474; N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine; UNII-YO460OQ37K; C22H24BrFN4O2; CHEMBL24828; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine; YO460OQ37K; CHEBI:49960; GNF-PF-2188; MFCD07772346; NSC-744325; NSC-760766; NCGC00167513-01; 4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxy-7-[(1-methyl-4-piperidyl)methoxy]quinazoline; DSSTox_CID_26681; DSSTox_RID_81816; DSSTox_GSID_46681; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-yl)methoxyquinazoline; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine; (4-Bromo-2-fluoro-phenyl)-[6-methoxy-7-(1-methyl-piperidin-4-ylmethoxy)-quinazolin-4-yl]-amine; CAS-443913-73-3; Vandetinib; HSDB 8198; 2ivu; Vandetanib [USAN:INN:BAN:JAN]; ZD-64; Caprelsa (TN); AZD-6474; Vandetanib- Bio-X; CH 331; CH-331; Vandetanib (Zactima); DMPC Cyclic Urea 1; Kinome_3316; BDBM21; SCHEMBL9044; MLS006011672; Vandetanib (JAN/USAN/INN); AMY599; F9995-0087; GTPL5717; QCR-37; DTXSID1046681; SCHEMBL21067679; cid_3081361; EX-A422; SYN1090; BCPP000023; HMS3244K03; HMS3244K04; HMS3244L03; HMS3654E11; HMS3672C07; AOB87780; BCP01925; Tox21_112511; 443913-73-3 (free base); NSC744325; NSC760766; NSC800961; s1046; ZINC53683345; AKOS015902350; Tox21_112511_1; AC-5251; CCG-269495; CS-0130; DB05294; MCULE-4705827953; NSC 744325; NSC 760766; NSC-800961; SB16919; 4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(1-methylpiperidin-4-ylmethoxy)quinazoline; NCGC00167513-02; NCGC00167513-03; NCGC00167513-04; NCGC00167513-09; 338992-00-0; 4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE; 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-; AS-11067; BV164508; HY-10260; SMR002530472; SY027438; FT-0656736; SW218092-2; EC-000.2359; A25648; D06407; V-9402; AB01273969-01; AB01273969-02; AB01273969_04; 913V733; SR-00000000462; Q7914515; SR-00000000462-2; BRD-K77625799-001-01-0; 4-(4-Bromo-2-fluoroanilino)-6-methoxy- 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline; 6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexanoic acid; Quinazolin-4-amine, N-(4-bromo-2-fluorophenyl)-6-mthoxy-7-[(1-methyl-4-piperidinyl)methoxy]-; Vandetanib;7-((4-aminocyclohexyl)methoxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine; ZD6"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:49960	DB05294	DR00618	DR1669	475.4	C22H24BrFN4O2	59.5	539	4.9	30	1	7	6	"1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)"	CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC	UHTHHESEBZOYNR-UHFFFAOYSA-N
DG00620	Ruxolitinib	25126798	"Ruxolitinib; 941678-49-5; INCB018424; Ruxolitinib (INCB018424); (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile; INCB-018424; UNII-82S8X8XX8H; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; INCB 018424; 82S8X8XX8H; INC424; CHEBI:66919; (R)-ruxolitinib; C17H18N6; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile; INCB18424; R-Ruxolitinib; INC-424; INCB-18424; Ruxolitinib [USAN:INN]; INCB 18424; (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; INC 424; RXT; Ruxolitinib (USAN/INN); INCB18424,Ruxolitinib; SCHEMBL171319; GTPL5688; INCB018424 - Ruxolitinib; CHEMBL1789941; SCHEMBL16546708; HSDB 8259; DTXSID10240930; SYN1120; ACT06813; AMY24152; AOB87783; EX-A1670; BDBM50355501; MFCD12031592; NSC763371; NSC800874; s1378; ZINC43207851; AKOS016842401; BCP9000784; CCG-264889; CS-0864; DB08877; NSC-763371; NSC-800874; NCGC00244253-01; NCGC00244253-02; NCGC00244253-11; NCGC00244253-12; AC-24280; AS-18619; HY-50856; QC-11806; W9658; 1092939-15-5; A14955; A23578; D09959; AB01565782_02; Q7383611; BRD-K53972329-001-02-1; BRD-K53972329-001-03-9; (3R)-3-cyclopentyl-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H -pyrazol-1-yl)-3-cyclopentylpropanenitrile; 3-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(beta-R)-1H-pyrazole-1-propanenitrile; A-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(AR)-1H-pyrazole-1-propanenitrile; (3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile;Ruxolitinib; 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66919	DB08877	.	.	306.4	C17H18N6	83.2	453	2.1	23	1	4	4	"1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1"	C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3	HFNKQEVNSGCOJV-OAHLLOKOSA-N
DG00621	Amantadine	2130	"Amantadine; 1-Adamantanamine; 768-94-5; adamantan-1-amine; 1-Adamantylamine; 1-Aminoadamantane; Adamantanamine; Adamantylamine; Aminoadamantane; Amantidine; Symmetrel; Symadine; Pk-merz; Adamantamine; 1-Adamantamine; Amantadina; Amantadinum; adamantan-1-ylamine; Gocovri; TCMDC-125869; 1-adamantaneamine; UNII-BF4C9Z1J53; 1-Aminotricyclo(3.3.1.1(sup 3,7))decane; NSC 341865; Tricyclo(3.3.1.13,7)decan-1-amine; tricyclo[3.3.1.1~3,7~]decan-1-amine; Tricyclo[3.3.1.1(3,7)]decan-1-amine; MFCD00074732; CHEMBL660; BF4C9Z1J53; CHEBI:2618; NSC341865; NSC-341865; (3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]decan-1-Amine; 768-94-5 (FREE BASE); NCGC00015036-03; Tricyclo[3.3.1.13,7]decan-1-amine; Tricyclo[3.3.1.13,7]decane-1-amine; Amantadine Base; DSSTox_CID_2117; Amantadine [INN:BAN]; DSSTox_RID_76493; Amantadinum [INN-Latin]; DSSTox_GSID_22117; Amantadina [INN-Spanish]; Amant; Amantadine (INN); CAS-768-94-5; NSC83653; HSDB 3202; Tricyclo(3.3.1.1(3,7))-decan-1-amine; Tricyclo(3.3.1.1(sup 3.7))decan-1-amine; EINECS 212-201-2; 1-Adamantanamine (8CI); ADAMANTANE,1-AMINO; adamantaneamine; BRN 2204333; adamantyl amine; AmantadineHCl; 1-admantaneamine; 1-Amantadine; Tricyclo(3.3.1.1(sup 3,7))decan-1-amine; 1-adamantanylamine; 1-adamantyl amine; Adamant-1-ylamine; 1-amino-adamantane; adamantane-1-amine; Mantadine (Salt/Mix); Symmetrel (Salt/Mix); Spectrum_000030; Tricyclo[3.3.1.1^3,7]decan-1-amine; Prestwick0_000407; Prestwick1_000407; Prestwick2_000407; Prestwick3_000407; Spectrum2_000081; Spectrum3_000291; Spectrum4_000134; Spectrum5_000772; tricyclo[3.3.1.1(3,7)]decan-1-ylamine; tricyclo[3.3.1.1(3,7)]decane-1-amine; 1-Adamantylamine, 97%; Lopac-A-1260; Tricyclo[3.3.1.1(sup3,7)]decan-1-amine; EC 212-201-2; SCHEMBL4098; NCIOpen2_001059; Lopac0_000004; Oprea1_248648; BSPBio_000334; BSPBio_001570; BSPBio_001822; KBioGR_000548; KBioSS_000390; BIDD:GT0757; DivK1c_000815; Exp-105-1 (Salt/Mix); SPBio_000002; SPBio_002273; BPBio1_000368; GTPL4128; SCHEMBL2619248; DTXSID8022117; SCHEMBL15672299; SCHEMBL20409394; SCHEMBL21309814; SCHEMBL21310017; SCHEMBL23419027; KBio1_000815; KBio2_000390; KBio2_002958; KBio2_005526; KBio3_001322; NINDS_000815; (3R,5S,7s)-Adamantan-1-amine; 1-Adamantamine(1-Aminoadamantane); HMS1791O12; HMS1989O12; HMS3604O07; HMS3887I19; ZINC968256; ACT02873; ALBB-013871; BCP09869; HY-B0402; STR04703; Tox21_110068; BDBM50033369; HTS001826; s5499; STK298781; AKOS000113994; AKOS000119324; AKOS007930692; AKOS015935124; Tox21_110068_1; CCG-204100; CS-W008656; DB00915; MCULE-9686682307; SDCCGSBI-0049993.P005; IDI1_000815; NCGC00015036-01; NCGC00015036-02; NCGC00015036-04; NCGC00015036-05; NCGC00015036-06; NCGC00015036-07; NCGC00015036-08; NCGC00015036-09; NCGC00015036-11; NCGC00015036-13; NCGC00015036-24; NCGC00162039-01; NCGC00162039-02; NCGC00162039-03; NCGC00162039-04; NCGC00179597-01; AC-25879; ADS-5102, EXP 105-1; AS-14215; BP-13040; K333; SY017655; SBI-0049993.P004; WLN: L66 B6 A B- C 1B ITJ BZ; AB00514655; FT-0607338; C06818; D07441; AB00053414-14; AB00053414-16; AB00053414_17; AB00053414_18; AB01275427-01; 768A945; A838887; L000868; Q409761; J-650234; W-104338; BRD-K70330367-003-01-2; BRD-K70330367-003-03-8; Q27453436; F0001-1962"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2618	DB00915	DR00040	DR2259	151.25	C10H17N	26	144	2.4	11	1	1	0	"1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2"	C1C2CC3CC1CC(C2)(C3)N	DKNWSYNQZKUICI-UHFFFAOYSA-N
DG00622	Rimantadine	5071	"Rimantadine; 13392-28-4; 1-(1-Adamantyl)ethanamine; 1-Rimantadine; 1-(adamantan-1-yl)ethan-1-amine; alpha-Methyl-1-adamantanemethylamine; alpha-Methyladamantanemethylamine; 1-(Adamantan-1-yl)ethanamine; RIMANTADIN; 1-Adamantan-1-yl-ethylamine; CHEMBL959; 1-Adamantanemethylamine, .alpha.-methyl-; .alpha.-Methyladamantanemethylamine; 1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine; Rimantadina; Rimantadinum; Rimantadine [INN:BAN]; Rimantadinum [INN-Latin]; 1-(1-Adamantyl)ethylamin; Rimantadina [INN-Spanish]; [1-(1-adamantyl)ethyl]amine hydrochloride; (R)-1-(1-Adamantyl)ethylamine; Rimant; Tricyclo[3.3.1.13,7]decane-1-methanamine, alpha-methyl-, (-)-; 1-(1-adamantyl)ethylamine; 117857-51-9; Rimantadine (INN); HSDB 7438; Enamine_005755; NCGC00159491-02; Rimant & .alpha. IFN; Rimantadine (Flumadine); Rimantidine & .alpha.IFN; 1-Adamantan-1-ylethylamine; BRN 2715740; rimantidin; 1-(1-adamantyl)-ethylamine; Rimantadin A; Tricyclo(3.3.1.13,7)decane-1-methanamine, alpha-methyl-; Maybridge1_002066; Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, alpha-methyl-; 1-ADAMANTANEMETHYLAMINE, alpha-METHYL-; SCHEMBL2981; 1-tricyclo[3.3.1.1~3,7~]dec-1-ylethanamine; Oprea1_602732; SCHEMBL2619249; CHEMBL1201272; DTXSID2023561; SCHEMBL20409367; CHEBI:94440; HMS1410F13; HMS2090L19; HMS3604N13; HMS3655J05; ALBB-013870; BCP12269; HY-B0338; BBL013215; BDBM50216627; s1964; STK177253; (alpha-methyl-1-adamantyl)methylamine; AKOS000264537; AKOS006238592; AKOS016038537; .alpha.-Methyl-1-adamantanemethylamine; AM84461; CCG-236078; DB00478; MCULE-9027470290; 4-Bromo-7-(trifluoromethyl)- quinoline; IDI1_007990; NCGC00159491-03; NCGC00159491-05; NCGC00159491-11; AS-68744; SBI-0206810.P001; DB-042207; FT-0630403; SW220023-1; C07236; D08483; Q42171; 1-[(3R,5S,7s)-adamantan-1-yl]ethan-1-amine; AB00638368-09; AB00959689-03; AB01506092_02; AB01506092_03; 392R284; BRD-A84282119-003-01-2; Z56757137; Tricyclo[3.3.1.13,7]decane-1-methanamine, a-methyl-; Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl-; Tricyclo(3.3.1.1(sup 3,7))decane-1-methanamine, .alpha.-methyl-; Tricyclo[3,3,1,1(3,7)]decane-1-methanamine, .alpha.-methyl-; Tricyclo(3.3.1.1^3,7)decane-1-methanamine, .alpha.-methyl- & IFN.alpha"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94440	DB00478	DR00832	DR2305	179.3	C12H21N	26	180	2.6	13	1	1	1	"1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3"	CC(C12CC3CC(C1)CC(C3)C2)N	UBCHPRBFMUDMNC-UHFFFAOYSA-N
DG00623	Oxcarbazepine	34312	"OXCARBAZEPINE; 28721-07-5; Trileptal; Oxcarbamazepine; Oxcarbazepina; Oxcarbazepinum; GP 47680; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide; KIN-493; GP-47680; 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide; 10,11-Dihydro-10-oxo-5H-dibenz(b,f)azepine-5-carboxamide; UNII-VZI5B1W380; 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-oxo-; MLS000084586; SPN-804; 9-oxo-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxamide; 5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10-oxo-; CHEMBL1068; SMR000048684; CHEBI:7824; VZI5B1W380; Oxacarbazepine; Timox; MFCD00865307; NSC-758693; NCGC00065934-02; DSSTox_CID_25703; DSSTox_RID_81075; DSSTox_GSID_45703; Oxcarbazepinum [INN-Latin]; Oxcarbazepina [INN-Spanish]; Oxcarbazepime; Epilexter; Epliga; Oxtellar XR; Trileptal (TN); CAS-28721-07-5; SR-01000612612; EINECS 249-188-8; Oxcarbazepin; HSDB 7524; Oxtellar (TN); Oxcarbazepine [USAN:USP:INN:BAN]; OCBZ; Oxcarbazepine solution; Oxcarbazepine- Bio-X; Spectrum_001675; Opera_ID_818; regid866068; Spectrum2_000483; Spectrum3_001669; Spectrum4_000634; Spectrum5_001869; O0363; SCHEMBL35129; BSPBio_003457; KBioGR_001248; KBioSS_002155; cid_34312; MLS000759520; MLS001201742; MLS001424025; MLS006011855; BIDD:GT0078; SPECTRUM1504243; SPBio_000345; GTPL7254; Oxcarbazepine (JAN/USP/INN); ZINC4724; DTXSID0045703; BDBM34179; KBio2_002155; KBio2_004723; KBio2_007291; KBio3_002677; Oxcarbazepine, analytical standard; 10,11-Dihydro-10-oxo-5H-dibenzo[b,f]azepine-5-carboxamide; HMS1922H17; HMS2051O04; HMS2090F13; HMS2093E10; HMS2231B12; HMS3369J22; HMS3393O04; HMS3657O11; HMS3713I10; HMS3884K13; Pharmakon1600-01504243; BCP28260; BCP33398; HY-B0114; Tox21_110983; CCG-39509; NSC758693; s1391; STK594696; AKOS005516529; Tox21_110983_1; AC-3483; CS-1869; DB00776; KS-5197; MCULE-9100100302; NC00088; NSC 758693; Oxcarbazepine, >=98% (HPLC), solid; NCGC00065934-03; NCGC00065934-04; NCGC00065934-05; NCGC00065934-06; BO164187; H038; SBI-0206772.P001; GP-47-680; AM20040094; FT-0630543; FT-0673414; SW197468-3; A13943; C07492; D00533; J10384; M06310; AB00393017-12; AB00393017-14; AB00393017_15; AB00393017_16; 721O075; Q176301; SR-01000612612-4; SR-01000612612-6; W-107033; BRD-K04196797-001-12-9; 10-oxo-10,11-dihydro-5H-dibenz(b,f)azepin-5-carboxamide; 5-carbamoyl-10-oxo-10,11-dihydro-5H-dibenz[b,f]azepine; 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepin-5-carbonsaeureamid; 10-Oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide #; Oxcarbazepine, European Pharmacopoeia (EP) Reference Standard; 10,11-Dihydro-10-oxo-5H-dibenzo(Z)[b,f]azepine-5-carboxamide; Oxcarbazepine, United States Pharmacopeia (USP) Reference Standard; 10-Oxo carbazepine; Oxecarb; 10,11-Dihdyro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide; Oxcarbazepine, Pharmaceutical Secondary Standard; Certified Reference Material; Oxcarbazepine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material; Oxcarbazepine-13C6 solution, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7824	DB00776	DR00453	DR1744	252.27	C15H12N2O2	63.4	382	1.7	19	1	2	0	"1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)"	C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N	CTRLABGOLIVAIY-UHFFFAOYSA-N
DG00624	Ceragenin	16678119	Ceragenin CSA-13; CSA-13; CHEMBL1275763; SCHEMBL14816571; 222022-08-4	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	677.1	C41H80N4O3	118	879	7.3	48	4	7	24	"1S/C41H80N4O3/c1-5-6-7-8-9-10-23-45-24-11-15-31(2)34-16-17-35-39-36(30-38(41(34,35)4)48-27-14-22-44)40(3)19-18-33(46-25-12-20-42)28-32(40)29-37(39)47-26-13-21-43/h31-39,45H,5-30,42-44H2,1-4H3/t31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-/m1/s1"	CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCCN)C)OCCCN)OCCCN)C	YDYLISNLJUDIGF-GXDYCHSMSA-N
DG00625	D-Allosamine	6915732	"2-Amino-2-Deoxy-Allopyranose; 2-Amino-2-Deoxy-Allopyranoside; 2-Amino-2-Deoxy-Allose; 2-Amino-2-Deoxy-D-Allopyranose; 2-Amino-2-Deoxy-D-Allopyranoside; 2-Amino-2-Deoxy-D-Allose; 2-Deoxy-2-Amino-Allopyranose; 2-Deoxy-2-Amino-Allopyranoside; 2-Deoxy-2-Amino-Allose; 2-Deoxy-2-Amino-D-Allopyranose; 2-Deoxy-2-Amino-D-Allopyranoside; 2-Deoxy-2-Amino-D-Allose; AllN; Allosamine; D-AllN; D-Allosamine; SCHEMBL13985995; C21038; WURCS=2.0/1,1,0/[a2222h-1x_1-5_2*N]/1/"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	179.17	1	C6H13NO5	116	155	-2.8	12	5	6	C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)N)O)O)O	"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5+,6 /m1/s1"	MSWZFWKMSRAUBD-RSVSWTKNSA-N
DG00626	GDC-0623	42642654	"GDC-0623; 1168091-68-6; GDC 0623; RG 7421; GDC0623; UNII-HW67545I4Q; G-868; 5-((2-FLUORO-4-IODOPHENYL)AMINO)-N-(2-HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-6-CARBOXAMIDE; 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide; HW67545I4Q; RG-7420; RG-7421; 5-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-6-CARBOXAMIDE; Imidazo[1,5-a]pyridine-6-carboxamide, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-; MEK inhibitor 1; GTPL9909; SCHEMBL1615104; CHEMBL3330650; CHEBI:167659; AOB87143; BCP28689; EX-A2060; BDBM50025226; MFCD25976760; NSC778590; NSC800998; RG7421; s7553; ZINC43206499; AKOS027253679; CCG-269293; DB11982; NSC-778590; NSC-800998; SB16957; NCGC00351593-05; AS-55986; DA-33609; G868; HY-15610; FT-0769207; G 868; A858271; Q27280129; 5-(2-Fluoro-4-iodophenylamino)-imidazo[1,5-a]pyridine-6-carboxylic acid (2-hydroxyethoxy)-amide; 5-(2-Fluoro-4-iodophenylamino)-imidazo[15-a]pyridine-6-carboxylic acid (2-hydroxyethoxy)-amide; 5-(2-Fluoro-4-iodophenylamino)imidazo[1,5-a]pyridine-6-carboxylic acid N-(2-hydroxyethoxy)amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11982	.	.	456.21	C16H14FIN4O3	87.9	461	3.7	25	3	6	6	"1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)"	C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO	RFWVETIZUQEJEF-UHFFFAOYSA-N
DG00627	SCH772984	24866313	"SCH772984; 942183-80-4; SCH-772984; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-yl)pyrrolidine-3-carboxamide; SCH 772984; CHEMBL3590107; (3R)-1-[2-Oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide; (3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide; (3r)-1-(2-Oxo-2-{4-[4-(Pyrimidin-2-Yl)phenyl]piperazin-1-Yl}ethyl)-N-[3-(Pyridin-4-Yl)-2h-Indazol-5-Yl]pyrrolidine-3-Carboxamide; (3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide; 38Z; GTPL8056; SCHEMBL12151489; AOB6425; EX-A296; CHEBI:167670; C33H33N9O2; 2711AH; BDBM50094464; MFCD11878503; NSC775636; s7101; ZINC96174209; AKOS025402018; CS-1421; NSC-775636; SCH772984, SCH 984; NCGC00350780-05; NCGC00350780-10; NCGC00350780-11; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-y; (R)-1-{2-Oxo-2-[4-(4-pyrimidin-2-yl-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-3-carboxylic acid (3-pyridin-4-yl-1H-indazol-5-yl)-amide; AC-28198; CID 24866313; HY-50846; QC-11359; F31041; A859514; Q27088760; (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN-1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-1H-INDAZOL-5-YL]PYRROLIDINE-3-CARBOXAMIDE; (R)-1-(2-oxo-2-(4-(4-(pyrimidin-2-yl)phenyl)piperazin-1-yl)ethyl)-N-(3-(pyridin-4-yl)-1H-indazol-5-; F3Z"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	587.7	C33H33N9O2	123	957	2.5	44	2	8	7	"1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1"	C1CN(C[C@@H]1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7	HDAJDNHIBCDLQF-RUZDIDTESA-N
DG00628	INK128	45375953	"1224844-38-5; Sapanisertib; INK-128; MLN0128; INK 128; INK128; TAK-228; INK 128 (MLN0128); Sapanisertib (MLN0128); MLN-0128; 5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)benzo[d]oxazol-2-amine; UNII-JGH0DF1U03; 3-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; JGH0DF1U03; 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; 5-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]-pyrimidin-3-yl)benzo[d]oxazol-2-amine; C15H15N7O; 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; Sapanisertib; INK128; Sapanisertib (USAN/INN); Sapanisertib [USAN:INN]; MLS006011012; GTPL7933; SCHEMBL7902875; CHEMBL3545097; CHEBI:91450; EX-A951; INK-128/INK128; SYN1157; BDBM315477; HMS3656H12; HMS3672C21; INK-128;Sapanisertib;MLN0128; AOB87177; INK-0128; 2477AH; MFCD22124893; NSC764658; NSC768435; NSC780880; s2811; ZINC73069271; AKOS025149512; US10172858, Table 1.1; BCP9000789; CCG-265002; CS-0557; DB11836; NSC-764658; NSC-768435; NSC-780880; SB16566; US10172858, Table 1.22; NCGC00346654-01; NCGC00346654-10; AC-26848; AS-16294; BS170924; HY-13328; SMR004702810; BCP0726000086; A8551; FT-0700125; SW220210-1; D11183; INK-128,CAS:1224844-38-5; J-004811; Q27078072; 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-; 2-Benzoxazolamine, 5-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-; 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine; 5-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine; FE5; INK-128; ; ; MLN-0128; ; ; 5-(4-Amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91450	DB11836	.	.	309.33	C15H15N7O	122	436	1.7	23	2	7	2	"1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)"	CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)OC(=N4)N)N	GYLDXIAOMVERTK-UHFFFAOYSA-N
DG00629	Echinocandins	9898144	"Echinocandin B; 54651-05-7; UNII-CNW0ZW8ZTQ; CNW0ZW8ZTQ; Antibiotic SL 7810F; Antibiotic A 30912A; (9Z,12Z)-N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6,20-bis((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)octadeca-9,12-dienamide; (9Z,12Z)-N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}octadeca-9,12-dienamide; 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[(9Z,12Z)-octadeca-9,12-dienoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}; Antibiotic A 22082; NSC 287461; A 30912A; Echinocandin B (9CI); A-22082; SCHEMBL17951640; CHEBI:315018; (9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1060.2	C52H81N7O16	368	1940	2.5	75	14	16	20	"1S/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30+,31+,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1"	CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](C)O)C)O)O)O	FAUOJMHVEYMQQG-HVYQDZECSA-N
DG00630	AP26113	57390074	"AP26113; 1197958-12-5; ALK-IN-1; Brigatinib-analog; (2-((5-chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; UNII-3DGD69C6PV; AP26113-analog; 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine; 3DGD69C6PV; CHEMBL3397300; 1197958-12-5 (analog); 5-Chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-; 2,4-Pyrimidinediamine, 5-chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-; Brigatinib analog; 5-Chloro-N2-(4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)-N4-(2-(dimethylphosphoryl)phenyl)pyrimidine-2,4-diamine; 5-CHLORO-N2-{4-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-2-METHOXYPHENYL}-N4-[2-(DIMETHYLPHOSPHORYL)PHENYL]PYRIMIDINE-2,4-DIAMINE; Brigatinib(AP26113); C26H34ClN6O2P; SCHEMBL11916416; DTXSID30725416; EX-A770; AP26113;ALK-IN-1; HMS3652H14; HMS3673I09; BCP06648; 2218AH; BDBM50062357; MFCD23704187; NSC776763; NSC800977; s7000; ZINC89630357; AKOS025401944; AKOS032949980; AP 26113-analog, Brigatinib-analog; CCG-264698; CS-1368; NSC-776763; NSC-800977; SB16487; NCGC00351602-02; NCGC00351602-05; NCGC00351602-09; 5-Chloro-N2-(4-(4-(dimethylamino)-1-piperidinyl)-2-methoxyphenyl)-N4-(2-(dimethylphosphinyl)phenyl)-2,4-pyrimidinediamine; AC-27470; AS-75104; DA-35325; HY-13464; QC-11659; FT-0696829; SW219566-1; Q4653190; E5J"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	529	C26H34ClN6O2P	82.6	733	4.8	36	2	8	8	"1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)"	CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC	OVDSPTSBIQCAIN-UHFFFAOYSA-N
DG00631	Clozatinib	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00632	ASP3026	25134326	"ASP3026; 1097917-15-1; ASP-3026; ASP 3026; N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine; UNII-HP4L6MXF10; HP4L6MXF10; 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; 4-N-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine; F6O; MLS006011176; GTPL7740; SCHEMBL2827739; CHEMBL3545360; C29H40N8O3S; AOB6601; DTXSID90149038; EX-A140; QCR-144; CHEBI:167650; HMS3673C17; BCP06436; XTB91715; 2229AH; MFCD21609265; NSC765865; NSC799336; s8054; ZINC68120928; AKOS025142083; CCG-270132; CS-0787; DB12729; NSC-765865; NSC-799336; SB19387; NCGC00345791-01; NCGC00345791-09; AC-28466; AS-16959; DA-35322; HY-13326; N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-1,3,5-triazine-2,4-diamine; SMR004702945; FT-0755075; J-523409; Q27074543; N(2)-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N(4)-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine; N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propan-2-ylsulfonyl)phenyl]-1,3,5-triazine-2,4-diamine; N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	580.7	C29H40N8O3S	124	904	4.8	41	2	11	9	"1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)"	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC	MGGBYMDAPCCKCT-UHFFFAOYSA-N
DG00633	Diclofenac	3033	"Diclofenac; 15307-86-5; Diclofenac acid; dichlofenac; Diclofenacum; Diclophenac; 2-(2-((2,6-Dichlorophenyl)amino)phenyl)acetic acid; Diclofenaco; Diclofenac resinate; Voltarol; 2-(2,6-Dichloroanilino)phenylacetic Acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid; 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-; 2-((2,6-Dichlorophenyl)amino)benzeneacetic acid; Solaraze; Diclofenac free acid; UNII-144O8QL0L1; {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid; CHEBI:47381; Voltaren-XR; [2-(2,6-Dichloroanilino)phenyl]acetic acid; 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid; CHEMBL139; 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID; ACETIC ACID, (o-(2,6-DICHLOROANILINO)PHENYL)-; 144O8QL0L1; Arthrotec; 15307-86-5 (free); ProSorb-D; Olfen; MFCD00056694; Solaraze (TN); 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid; Enfenamic acid; N-Phenethylanthranilic acid; RH 8; 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid; Zorovolex; Zorvolex; Diclofenamic acid; Diclofenacum [INN-Latin]; Diclofenaco [INN-Spanish]; DIF; HSDB 7234; GP-45840; EINECS 239-348-5; (2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD); BRN 2146636; Diclofenac [USAN:INN:BAN]; ISV-205; Zorvolex (TN); Spectrum_000930; Diclofenac (USAN/INN); Prestwick0_000594; Prestwick1_000594; Prestwick2_000594; Prestwick3_000594; Spectrum2_000991; Spectrum3_000385; Spectrum4_000506; Spectrum5_000867; Epitope ID:116873; EC 239-348-5; SCHEMBL2799; Lopac0_000441; Oprea1_011155; BSPBio_000468; BSPBio_002169; KBioGR_001051; KBioGR_002306; KBioSS_001410; KBioSS_002308; MLS006011795; BIDD:GT0380; DivK1c_000272; DivK1c_000402; 2-[2-(2,6-dichlorophenyl)aminophenyl]ethanoic acid; SPBio_001081; SPBio_002687; BPBio1_000516; GTPL2714; ZINC1281; DTXSID6022923; BDBM13066; HMS501E04; KBio1_000272; KBio1_000402; KBio2_001410; KBio2_002306; KBio2_003978; KBio2_004874; KBio2_006546; KBio2_007442; KBio3_001389; KBio3_002786; 2b17; cMAP_000014; NINDS_000272; NINDS_000402; HMS2090C10; HMS3886F09; BCP09087; BCP13860; LAS41007; LAS-41007; s6073; STK984493; AKOS001579542; DB00586; KS-1258; MCULE-1824024270; IDI1_000272; IDI1_000402; NCGC00021125-01; NCGC00021125-02; NCGC00021125-11; AC-27673; HY-15036; o-(2,6-dichloroanilino)phenylacetic acid; SMR001550371; SY038623; SBI-0051341.P003; D3748; FT-0624731; FT-0666643; UNM000001216103; [2-(2,6-Dichloroanilino)phenyl]acetic acid #; C01690; D07816; Diclofenac acid 100 microg/mL in Acetonitrile; H10425; [o-(2,6-dichloro-anilino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)amino]phenylacetic acid; 2-[2-(2,6-dichloroanilino)phenyl]acetic acid.; AB01275502-01; AB01275502_02; 056D694; 2-(2-(2,6-dichlorophenylamino)phenyl)acetic acid; 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid; Q244408; [2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid; 2-[(2,6-dichlorophenyl)-amino]-benzeneacetic acid; 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetic acid; 2-[2-(2,6-dichlorophenylamino)phenyl]-acetic acid; SR-01000003041-3; 2-[2-(2,6-dichlorophenylamino)-phenyl]-acetic acid; BRD-K08252256-236-05-6; BRD-K08252256-236-17-1; Z57664869; F0722-0745; Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)- (9CI); 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetic Acid (Diclofenac); 128402-48-2"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47381	DB00586	DR00681	.	296.1	C14H11Cl2NO2	49.3	304	4.4	19	2	3	4	"1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)"	C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl	DCOPUUMXTXDBNB-UHFFFAOYSA-N
DG00634	Puromycin	439530	"Puromycin; 53-79-2; Puromycine; Stylomycin; Puromicina; Puromycinum; Stillomycin; P-638; Puromycin dihydrochloride; CHEBI:17939; UNII-4A6ZS6Q2CL; 3123L; CL 13900; GNF-PF-2016; CL 13,900; 4A6ZS6Q2CL; 3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine; CL-13900; (S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine; NSC-3055; 9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine; Adenosine, 3'-(((2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyl-; Achromycin (purine derivative); P 638; TCMDC-123493; 3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine; 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine; 58-58-2; 3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine; CL 16536; (S)-2-amino-N-((2S,3S,4R,5R)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)-3-(4-methoxyphenyl)propanamide; NSC3055; NSC 3055; Puromycine [INN-French]; Puromycinum [INN-Latin]; Puromicina [INN-Spanish]; Bacterenomycin; Puromycin [USAN:INN:BAN]; (S)-3'-[[2-Amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyladenosine; Adenosine, 3'-((2-amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyl-, (S)-; PUY; Puromycin (USAN); CL13900; Prestwick3_000480; Epitope ID:140945; SCHEMBL4570; BSPBio_000620; BPBio1_000682; CHEMBL469912; DTXSID8036788; HMS2089F18; HY-B1743; CL 16,536 (*Dihydrochloride*); BDBM50277158; MFCD00866328; ZINC53147179; AKOS030485964; CCG-208505; CS-6500; DB08437; 6-Dimethylamino-9-(3'-(p-methoxy-L-phenylalanylamino)-beta-D-ribofuranosyl)-purine; Puromycin, 10 mg/ml in distilled water; NCGC00179500-01; NCGC00179500-07; NCGC00179500-14; (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide; AB00514661; 3123-L; C01610; D05653; AB00514661-07; Q424696; BRD-K36007650-001-01-9; BRD-K36007650-300-02-3; Q27167243; Adenosine, 3'-(alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyl-, L-; (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide; 2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide; Adenosine, 3'-(-amino-p-methoxyhydrocinnamamido)-3'-deoxy-N, N-dimethyl-, dihydrochloride, L-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB08437	DR01525	.	471.5	C22H29N7O5	161	680	0	34	4	10	8	"1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1"	CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O	RXWNCPJZOCPEPQ-NVWDDTSBSA-N
DG00635	TAK-733	24963252	"TAK-733; 1035555-63-5; TAK733; TAK 733; (R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione; UNII-5J61HSP0QJ; 5J61HSP0QJ; CHEMBL1615025; 3-[(2r)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)amino]-8-Methylpyrido[2,3-D]pyrimidine-4,7(3h,8h)-Dione; Mek inhibitor tak-733; MLS006011054; GTPL9911; SCHEMBL1528606; DTXSID20648089; example 18 [US8470837]; AOB87182; BCP06625; EX-A2164; BDBM50337926; MFCD24386349; NSC761215; NSC800940; s2617; ZINC43196550; AKOS027251050; CCG-264969; CS-1283; DB12241; NSC-761215; NSC-800940; compound 17 [PMID: 21310613]; NCGC00263187-01; 3-[(2R)-2,3-Dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione; HY-13449; SMR004702846; SW220152-1; US8470837, 18; A857992; Q27262384; 3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido [2,3-d]pyrimidine-4,7(3h,8h)-dione; IZG; Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione,3-[(2R)-2,3-dihydroxy-propyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12241	.	.	504.23	C17H15F2IN4O4	106	772	0.9	28	3	8	5	"1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1"	CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)O	RCLQNICOARASSR-SECBINFHSA-N
DG00636	Pingyangmycin	84046	"Pingyangmycin; Bleomycetin; Bleomycinamide, N1-[3-[(4-aminobutyl)amino]propyl]-; (Bleomycin A5); CHEMBL2002141; BCP23597; NSC350895; NSC-350895; Q2095702; Bleomycinamide, N(1)-[3-[(4-aminobutyl)amino]propyl]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12992	.	.	1440.6	C57H89N19O21S2	722	2620	-8.8	99	22	33	40	"1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)"	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O	QYOAUOAXCQAEMW-UHFFFAOYSA-N
DG00637	Carbamazepine	2554	"Carbamazepine; 298-46-4; Tegretol; Carbamazepen; 5H-Dibenzo[b,f]azepine-5-carboxamide; Finlepsin; Biston; 5H-Dibenz[b,f]azepine-5-carboxamide; Carbazepine; Tegretal; Equetro; Carbamezepine; Neurotol; Timonil; Epitol; Karbamazepin; Carbatrol; Stazepine; Telesmin; Lexin; Tegretol-Xr; benzo[b][1]benzazepine-11-carboxamide; Carbamazepin; Carbamazepinum; 5H-Dibenz(b,f)azepine-5-carboxamide; Carbamazepina; Amizepin; Bipotrol; Teril; Geigy 32883; 5-Carbamyl-5H-dibenzo(b,f)azepine; 5-Carbamoyl-5H-dibenzo(b,f)azepine; Calepsin; Carnexiv; Sirtal; 5-Carbamoyl-5H-dibenz(b,f)azepine; 5-Carbamoyl-5H-dibenz[b,f]azepine; G 32883; G-32883; NSC 169864; MFCD00005073; CHEBI:3387; UNII-33CM23913M; CHEMBL108; 5-Carbamyldibenzo(b,f)azepine; MLS000069652; 5-Carbamoyldibenzo(b,f)azepine; CBZ; NSC169864; 33CM23913M; NSC-169864; NCGC00015234-11; CAS-298-46-4; SMR000058201; Stazepin; DSSTox_CID_2731; 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2-carboxamide; DSSTox_RID_76704; DSSTox_GSID_22731; Carbamazepine Anhydrous; 5H-dibenzo[b,f]azepine-5-carboxamide;Oxcarbazepine IMpurity A; Carbelan; Tegretol Cr; Carbamazepinum [INN-Latin]; Carbamazepina [INN-Spanish]; SMR001227191; HSDB 3019; SR-01000000229; Carbatrol extended-release; EINECS 206-062-7; BRN 1246090; Karbelex; Neurotop; Trimonil; Neurotop retard; dibenzo[b,f]azepine-5-carboxamide; Tegretol (TN); Prestwick_104; Equetro (TN); Carbamazepine-[d2]; Carbamazepine, powder; Opera_ID_72; Spectrum_000096; Carbamazepine [USAN:USP:INN:BAN:JAN]; Prestwick0_000052; Prestwick1_000052; Prestwick2_000052; Prestwick3_000052; Spectrum2_000125; Spectrum3_000325; Spectrum4_000262; Spectrum5_000936; Carbamazepine (Carbatrol); Lopac-C-4024; ChemDiv1_018966; CBChromo1_000350; Epitope ID:174842; Iminostilbene-N-carboxamide; Carbamazepine-[13C,15N]; Lopac0_000292; Oprea1_790775; SCHEMBL21639; BSPBio_000203; BSPBio_001929; Carbamazepine extended release; KBioGR_000724; KBioSS_000516; MLS001055475; MLS001074172; MLS002548877; BIDD:GT0479; DivK1c_000388; DivK1c_003750; SPECTRUM1500159; SPBio_000170; SPBio_002124; BPBio1_000225; GTPL5339; ZINC4785; DTXSID4022731; SCHEMBL19838283; HMS501D10; HMS640O02; KBio1_000388; KBio2_000516; KBio2_003084; KBio2_005652; KBio3_001149; WLN: T C676 BNJ BVZ; AOB5783; Carbamazepine (JP17/USP/INN); CBZ;NSC 169864; dibenz[b,f]azepine-5-carboxamide; SPD-417; Carbamazepine, analytical standard; NINDS_000388; HMS1568K05; HMS1920I17; HMS2090M07; HMS2091O19; HMS2095K05; HMS2233G16; HMS3039K09; HMS3259B21; HMS3260L06; HMS3372J13; HMS3657G03; HMS3712K05; HMS3747E03; Pharmakon1600-01500159; ACT02606; BCP21380; HY-B0246; 5-Carbomoyl-5H-dibenzo(b,f)azepine; Tox21_110104; Tox21_202273; Tox21_300195; Tox21_500292; AC2074; BDBM50003659; CCG-38931; NSC755920; s1693; STK177357; STL453548; 11-benzo[b][1]benzazepinecarboxamide; 5H-Dibenz[b,f]azepine-5-carboxamine; Carbamazepine 1.0 mg/ml in Methanol; AKOS003235644; AKOS025397243; Tox21_110104_1; AC-9538; DB00564; KS-5146; LP00292; MCULE-9121567287; NC00679; NSC-755920; SDCCGSBI-0050280.P005; 5H-Dibenz[ b, f]azepine-5-carboxamide; CDS1_002710; IDI1_000388; 5H-Dibenzo[b,f]azepine-5-carboxamide #; NCGC00015234-01; NCGC00015234-02; NCGC00015234-03; NCGC00015234-04; NCGC00015234-05; NCGC00015234-06; NCGC00015234-07; NCGC00015234-08; NCGC00015234-09; NCGC00015234-10; NCGC00015234-12; NCGC00015234-13; NCGC00015234-14; NCGC00015234-15; NCGC00015234-16; NCGC00015234-18; NCGC00015234-19; NCGC00015234-33; NCGC00023877-03; NCGC00023877-04; NCGC00023877-05; NCGC00023877-06; NCGC00023877-07; NCGC00023877-08; NCGC00253982-01; NCGC00259822-01; NCGC00260977-01; BC166161; H495; SY002823; (z)-5h-dibenzo[b,f]azepine-5-carboxamide; SBI-0050280.P004; 5H-dibenzo[b,f]azepine-5-carboximidic acid; DB-047659; Dibenzo[b,f]azepine-5-carboxylic acid amide; EU-0100292; FT-0602927; FT-0696814; SW220141-1; BIM-0050280.0001; C 4024; C06868; Carbamazepine, meets USP testing specifications; D00252; 5H-Dibenz(b,f)azepine-5-carboxamide maleic acid; 5H-Dibenz(b,f)azepine-5-carboxamide oxalic acid; AB00051931-17; AB00051931-18; AB00051931_19; AB00051931_20; A820074; Q410412; carbamazepine host structure with maleic acid removed; carbamazepine host structure with oxalic acid removed; Q-200792; SR-01000000229-2; SR-01000000229-4; SR-01000000229-7; 5H-Dibenz(b,f)azepine-5-carboxamide DL-tartaric acid; BRD-K71799949-001-06-7; F0348-2551; Z2199879032; carbamazepine host structure with DL-tartaric acid removed; Dibenzo[b,f]azepine-5-carboxylic acid amide(Carbamazepine); carbamazepine host structure with 4-hydroxybenzoic acid removed; Carbamazepine, British Pharmacopoeia (BP) Reference Standard; Carbamazepine, European Pharmacopoeia (EP) Reference Standard; Carbamazepine, United States Pharmacopeia (USP) Reference Standard; Carbamazepine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Carbamazepine, Pharmaceutical Secondary Standard; Certified Reference Material; N6W"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3387	DB00564	DR00395	DR0270	236.27	C15H12N2O	46.3	326	2.5	18	1	1	0	"1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)"	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N	FFGPTBGBLSHEPO-UHFFFAOYSA-N
DG00638	Valproic acid	3121	"VALPROIC ACID; 2-Propylpentanoic acid; 99-66-1; 2-Propylvaleric acid; Dipropylacetic acid; Depakine; Depakene; Valproate; Ergenyl; Di-n-propylacetic acid; Mylproin; Pentanoic acid, 2-propyl-; 4-Heptanecarboxylic acid; n-Dipropylacetic acid; Propylvaleric acid; Myproic Acid; n-DPA; Dipropylacetate; Convulex; Depakin; Di-n-propylessigsaure; Avugane; Baceca; Stavzor; Acido valproico; Kyselina 2-propylvalerova; Acide valproique; 2-n-Propyl-n-valeric acid; Acidum valproicum; Acetic acid, dipropyl-; 2,2-di-n-propylacetic acid; Valproinsaeure; Savicol; Depakine chrono; Depakin chrono; Abbott 44090; Acide valproique [INN-French]; Acido valproico [INN-Spanish]; Acidum valproicum [INN-Latin]; 2-PROPYL-PENTANOIC ACID; Di-n-propylessigsaure [German]; Valeric acid, 2-propyl-; Epilim; Kyselina 2-propylvalerova [Czech]; Di-n-propylessigsaeure; VPA; VPA;2-Propylpentanoic Acid; UNII-614OI1Z5WI; NSC 93819; Delepsine; Sprinkle; Valcote; Valparin; Epilex; PEAC; Depakene (TN); MFCD00002672; Vupral; CHEMBL109; (n-C3H7)2CHCOOH; 614OI1Z5WI; CHEBI:39867; Valerin; NSC-93819; NCGC00091149-01; Deproic; Alti-Valproic; Novo-Valproic; Penta-Valproic; Dom-Valproic; Med Valproic; Nu-Valproic; DSSTox_CID_3733; DSSTox_RID_77171; DSSTox_GSID_23733; Valproic acid USP; PMS-Valproic Acid; Valproic acid (USP); CAS-99-66-1; Depakote (TM); SMR000499581; HSDB 3582; 2 PP (base); EINECS 202-777-3; BRN 1750447; valproic-acid; Novo-divalproex; Sandoz valproic; Dom-valproate; Gen-divalproex; Apo-valproic; A-44090; AI3-10500; APO-divalproex; DOM-divalproex; Epival er; PHL-valproate; PMS-valproate; PMS-Divalproex; Erganyl; Stavzor; Dom-valproic acid; Apo-valproic syrup; PHL-valproic acid; Epiject I.V.; 2-propyl-Pentanoate; Epical (TM); Epilim (Salt/Mix); Valproic acid [USAN:USP:INN:BAN]; Depacon (Salt/Mix); Convulex (Salt/Mix); Eurekene (Salt/Mix); G2M-777; Valparin (Salt/Mix); Valproic acid solution; Novo-Valproic - ECC; Spectrum_000521; Divalproex (Salt/Mix); Dom-valproic acid syrup; Ratio-Valproic - ECC; Valdisoval (Salt/Mix); 2 -propylpentanoic acid; di-n-propyl acetic acid; S(-)-4-En-valproate; Spectrum2_000946; Spectrum3_001733; Spectrum4_000376; pentanoic acid, 2-propyl; DOM-valproic acid E.C.; PHL-valproic acid E.C.; PMS-valproic acid E.C.; Novo-valproic soft gel cap; EC 202-777-3; SCHEMBL2275; S-2-n-Propyl-4-pentenoate; (S)-2-propyl-4-pentanoate; KBioGR_000871; KBioGR_002277; KBioSS_001001; KBioSS_002278; MLS001076682; MLS001335927; MLS001335928; MLS002415770; BIDD:GT0858; DivK1c_000273; Valproic acid extended release; SPBio_000912; GTPL7009; DTXSID6023733; WLN: QVY3 & 3; KBio1_000273; KBio2_001001; KBio2_002277; KBio2_003569; KBio2_004845; KBio2_006137; KBio2_007413; KBio3_002626; KBio3_002757; NIJJYAXOARWZEE-UHFFFAOYSA-; Valproic acid [USAN:BAN:INN]; NINDS_000273; HMS2089J06; HMS2231E06; HMS3259C18; HMS3370C21; HMS3715B15; HMS3885G14; ACT05281; ALBB-032973; BCP33204; NSC93819; ZINC3008621; Tox21_111091; Tox21_201963; Tox21_300603; BDBM50003616; LMFA01020291; s3944; STL445581; AKOS009156895; Tox21_111091_1; Valproic Acid 1.0 mg/ml in Methanol; CCG-221127; CS-1765; DB00313; MCULE-7136317196; NC00584; SDCCGSBI-0050864.P004; NCGC00091149-02; NCGC00091149-03; NCGC00091149-04; NCGC00091149-05; NCGC00091149-06; NCGC00091149-08; NCGC00091149-09; NCGC00091149-26; NCGC00162288-07; NCGC00254365-01; NCGC00259512-01; AS-11354; HY-10585; SBI-0050864.P003; FT-0609289; FT-0675769; P0823; A19450; C07185; D00399; AB00698315-06; Q240642; Q-200321; Sodium valproate; 2-Propylpentanoic acid sodium salt; SR-01000075242-7; F2191-0115; Z1511532065; Valproic acid, European Pharmacopoeia (EP) Reference Standard; Valproic acid, United States Pharmacopeia (USP) Reference Standard; Valproic acid for system suitability, European Pharmacopoeia (EP) Reference Standard; Valproic acid solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Valproic acid, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39867	DB00313	DR00399	DR1667	144.21	C8H16O2	37.3	93.4	2.8	10	1	2	5	"1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)"	CCCC(CCC)C(=O)O	NIJJYAXOARWZEE-UHFFFAOYSA-N
DG00639	Lamotrigine	3878	"Lamotrigine; 84057-84-1; 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine; Lamictal; Lamictal Cd; Lamictal XR; Lamotriginum [Latin]; Lamotrigina [Spanish]; Lamotriginum; BW 430C; Lamotrigina; Lamictal ODT; BW-430C; 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine; 1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-; BW430C; 3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine; C9H7Cl2N5; LTG;BW430C; UNII-U3H27498KS; MFCD00865333; CHEMBL741; MLS000069685; CHEBI:6367; U3H27498KS; NSC-759171; NCGC00015605-06; Labileno; Lamitor; SMR000058464; Lamotrigine-13C-d3; DSSTox_CID_3195; DSSTox_RID_76918; DSSTox_GSID_23195; Lamictal (TN); LTg; CAS-84057-84-1; SR-01000000187; EINECS 281-901-8; HSDB 7526; EUR-1048; Lamotrigine [USAN:USP:INN:BAN]; zine-3,5-diamine; Lamotrigine- Bio-X; GI 267119X; Opera_ID_12; Tocris-1611; hydroxymethyl progesterone; Lopac-L-3791; L 3791; Lopac0_000688; SCHEMBL35439; MLS000759486; MLS001077325; MLS001423991; BIDD:GT0794; Lamotrigine (JAN/USP/INN); Lamotrigine, >=98%, powder; GTPL2622; DTXSID2023195; ZINC13156; HMS2051C10; HMS2089M08; HMS2093P21; HMS2230L04; HMS3262I17; HMS3268G17; HMS3371O16; HMS3393C10; HMS3657A17; HMS3715H21; HMS3885M03; Pharmakon1600-01505610; AMY40805; BCP12156; HY-B0495; Lamotrigine 1.0 mg/ml in Methanol; Tox21_110179; Tox21_500688; BDBM50031299; NSC746307; NSC759171; s3024; STK628377; AKOS005561147; Tox21_110179_1; 6-(2,2,4-triazine-3,5-diyldiamine; CCG-100856; DB00555; KS-1074; LP00688; MCULE-7648410888; NC00106; NSC 746307; NSC 759171; NSC-746307; SDCCGSBI-0050666.P003; SMP2_000303; NCGC00015605-01; NCGC00015605-02; NCGC00015605-03; NCGC00015605-04; NCGC00015605-05; NCGC00015605-07; NCGC00015605-08; NCGC00015605-09; NCGC00015605-10; NCGC00015605-23; NCGC00015605-24; NCGC00022936-02; NCGC00022936-04; NCGC00022936-05; NCGC00261373-01; AC-10298; AC-32483; BL166799; K499; Lamotrigine 100 microg/mL in Acetonitrile; SBI-0050666.P002; 6-(2,3-Dichloro-phenyl)-[1,2,4]tria; DB-014839; B2249; EU-0100688; FT-0602546; FT-0670713; FT-0670714; L-205; L0241; SW197486-3; 57L841; A11873; D00354; J10032; W13018; AB00384359-16; AB00384359_17; AB00384359_18; A840709; Q410346; 3,5-diamino-(2,3-dichlorophenyl)-1,2,4-triazine; Q-201221; SR-01000000187-2; SR-01000000187-4; SR-01000000187-7; BRD-K93460210-071-01-6; SR-01000000187-10; 3,5-diamino-6-(2,3,-dichlorophenyl)-1,2,4-triazine; 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine.; F2173-0540; Z1550648755; 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine; 6-[2,3-bis(chloranyl)phenyl]-1,2,4-triazine-3,5-diamine; Lamotrigine, British Pharmacopoeia (BP) Reference Standard; Lamotrigine, European Pharmacopoeia (EP) Reference Standard; 6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine(lamotrigine); GI 267119X; 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine; Lamotrigine, United States Pharmacopeia (USP) Reference Standard; Lamotrigine, Pharmaceutical Secondary Standard; Certified Reference Material; Lamotrigine for peak identification, European Pharmacopoeia (EP) Reference Standard; Lamotrigine for system suitability, European Pharmacopoeia (EP) Reference Standard; Lamotrigine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6367	DB00555	DR00056	DR0913	256.089	C9H7Cl2N5	90.7	242	1.4	16	2	5	1	"1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)"	C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N	PYZRQGJRPPTADH-UHFFFAOYSA-N
DG00640	Levetiracetam	5284583	"Levetiracetam; 102767-28-2; Keppra; (S)-2-(2-Oxopyrrolidin-1-yl)butanamide; Keppra XR; (2S)-2-(2-oxopyrrolidin-1-yl)butanamide; ucb L059; UCB-L 059; Levetiracetamum; Spritam; UCB-L059; (S)-alpha-Ethyl-2-oxo-1-pyrrolidineacetamide; SIB-S1; Levetiracetame; (-)-(S)-alpha-Ethyl-2-oxo-1-pyrrolidineacetamide; UNII-44YRR34555; MFCD03265610; UCB-22059; Levetiracetamum [INN-Latin]; 1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (alphaS)-; CHEBI:6437; Levetiracetam In Sodium Chloride; UCB 22059; 44YRR34555; NSC-760119; Levroxa; (S)-(-)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide; matever; Leviteracetam; Levipil; Torleva; Elepsia XR; (S)-Levetiracetam; SMR000466303; Keppra (TN); Levesam 500; Etiracetam levo-isomer; SR-01000759400; Elepsia; Levetiracetam sun; E Keppra; HSDB 7528; Levetiracetam teva; N03AX14; Levetiracetam accord; Levetiracetam [USAN:USP:INN:BAN]; Levetiracetam actavis; Levetiracetam hospira; E keppra (TN); Levetiracetam solution; Levetiracetam- Bio-X; (S)-2-(2-Oxo-1-pyrrolidinyl)butyramide; L-059; 2(S)-(2-OXOPYRROLIDIN-1-YL)BUTYRAMIDE; CHEMBL1286; 1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (S)-; MLS000759403; MLS001424069; MLS006010215; BIDD:GT0242; SCHEMBL118843; GTPL6826; Levetiracetam (JAN/USP/INN); DTXSID9023207; AGB-101; Levetiracetam, >=98% (HPLC); Levetiracetam, analytical standard; HMS2051D07; HMS2089L20; HMS2235I18; HMS3262H11; HMS3713P16; HMS3884O11; Pharmakon1600-01502265; ACT02712; ALBB-027275; BCP11856; HY-B0106; ZINC1547851; Tox21_500835; BDBM50422542; NSC760119; s1356; STL388027; Levetiracetam 1.0 mg/ml in Methanol; AKOS015841981; AC-1479; CCG-100928; CS-1854; DB01202; KS-1176; LP00835; LS41261; MCULE-5120797917; NC00178; NSC 760119; SDCCGSBI-0633760.P001; (2S)-(2-Oxopyrrolidin-1-yl)butyramide; NCGC00186028-01; NCGC00186028-13; NCGC00261520-01; (S)-2-(2-oxopyrrolidin-1-yl)butyramide; BL164623; (s)-2-(2-oxopyrrolidin-1-yl) butyramide; AM20070676; L0234; SW197558-3; C07841; D00709; AB00639945-06; AB00639945_07; AB00639945_08; 767L282; A800616; (S)-2-(2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE; Q-201292; SR-01000759400-4; SR-01000759400-5; (2S)-2-(2-oxopyrrolidin-1-yl)butanamide;Levetiracetam; (ALPHAS)-ALPHA-ETHYL-2-OXO-1-PYRROLIDINEACETAMIDE; UNII-230447L0GL component HPHUVLMMVZITSG-LURJTMIESA-N; Levetiracetam, European Pharmacopoeia (EP) Reference Standard; Levetiracetam, United States Pharmacopeia (USP) Reference Standard; (-)-(S)-alpha-ethyl-2-oxo-1-pyrrolidineacetamide (2S)-2-(2-Oxo-pyrrolidin-1-yl)butanamide; Levetiracetam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Levitiracetam, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6437	DB01202	DR00180	.	170.21	C8H14N2O2	63.4	203	-0.3	12	1	2	3	"1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1"	CC[C@@H](C(=O)N)N1CCCC1=O	HPHUVLMMVZITSG-LURJTMIESA-N
DG00641	Topiramate	5284627	"Topiramate; 97240-79-4; Topamax; Epitomax; Topamax Sprinkle; Tipiramate; Topiramatum; Topina; McN-4853; Tipiramato; Topiramato; Topimax; Topomax; McN 4853; C12H21NO8S; 2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate; RWJ-17021-000; RWJ-17021; 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose sulfamate; UNII-0H73WJJ391; USL255; USL-255; MFCD00865320; RWJ 17021; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate; CHEBI:63631; Tipiramate [French]; Tipiramato [Spanish]; 0H73WJJ391; ((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamate; Topiramatum [INN-Latin]; topiramatum [Latin]; Topiramato [INN-Spanish]; Epitoma; Topamac; DSSTox_CID_3688; DSSTox_RID_77148; DSSTox_GSID_23688; ((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamate; [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl sulfamate; Topiragen; Topax; Trokendi XR; Qudexy XR; SMR000466325; Topiramate (TPM); TOR; TPM; Topamax (TN); CAS-97240-79-4; BRN 5988957; Sincronil; Qudexy; HSDB 7531; Sulfamate 7; 3hku; 3lxe; USL 255; (-)-topiramate; Topiramate [USAN:USP:INN:BAN]; Topiramate solution; NCGC00095181-01; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[5,4-b:5',3'-d]pyran-3a-yl]methyl sulfamate; Topiramate- Bio-X; Trokendi xr (TN); KS-1122; Spectrum2_001128; beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, sulfamate; CBChromo1_000352; BIDD:PXR0127; SCHEMBL34631; BSPBio_002306; Topiramate (JAN/USP/INN); Eprontia (liquid formulation); MLS000759431; MLS001424070; BIDD:GT0854; SPECTRUM1505801; SPBio_000995; CHEMBL220492; GTPL6849; DTXSID8023688; BDBM10887; HMS1922H06; HMS2051L09; HMS2093D20; HMS2232H21; HMS3414C15; HMS3678C15; HMS3715I12; HMS3884C17; Pharmakon1600-01505801; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name); ACT09031; ALBB-022457; HY-B0122; Tox21_111472; Tox21_302401; 2,3:4,5-Bis-O-(1-methylethylidene)-36-D-fructo-pyranose sulfamate; NSC759251; s1438; ZINC95616603; AKOS000424547; Topiramate 1.0 mg/ml in Acetonitrile; Topiramate, >=98% (HPLC), solid; Tox21_111472_1; CCG-100940; CS-1885; DB00273; MCULE-9403222429; NC00190; NSC 759251; NSC-759251; NCGC00178714-01; NCGC00178714-04; NCGC00178714-18; NCGC00255221-01; BT167048; SBI-0206907.P001; SW197570-3; C07502; D00537; F20536; AB00639961-06; AB00639961-08; AB00639961_09; AB00639961_10; 240T794; A900173; Q221174; SR-01000759409; W-60376; Q-201845; SR-01000759409-4; Z1522553470; 2,3:4,5-Di-O-isopropylidene-b-D-fructopyranose sulfamate; Topiramate, United States Pharmacopeia (USP) Reference Standard; 2,3:4,5-Bis-O-(1-methylethylidene)- -D-fructopyranose sulfamate; Topiramate, Pharmaceutical Secondary Standard; Certified Reference Material; Topiramate solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate; [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran-3a-yl]methyl sulfamate; 2,3:4,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-sulfamate;2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose sulfamate; Topamax; Tracrium; Toiramate:"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63631	DB00273	DR01372	DR1618	339.36	C12H21NO8S	124	556	-0.8	22	1	9	3	"1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1"	CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	KJADKKWYZYXHBB-XBWDGYHZSA-N
DG00642	PLX51107	90448953	"PLX51107; 1627929-55-8; (S)-4-(6-(3,5-dimethylisoxazol-4-yl)-1-(1-(pyridin-2-yl)ethyl)-1H-pyrrolo[3,2-b]pyridin-3-yl)benzoic acid; PLX-51107; PLX 51107; UNII-W758F1L9ND; BRD4 inhibitor PLX51107; W758F1L9ND; 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid; 4-(6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-((1S)-1-pyridin-2-ylethyl)pyrrolo(3,2-b)pyridin-3-yl)benzoic acid; 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid; CHEMBL4521078; SCHEMBL16085681; BDBM425592; CQC92955; EX-A1824; PLX 51107 [WHO-DD]; PXL51107; MFCD31657388; NSC806595; s8739; AKOS037648775; NSC-806595; US10519177, Compound P-0511; AC-32941; BS-15563; HY-111422; CS-0040568; D80522; A930121; 4-[6-(3,5-dimethylisoxazol-4-yl)-1- [(1S)-1-(2-pyridyl)ethyl]pyrrolo[3,2- b]pyridin-3-yl]benzoic acid; 4-[6-(3,5-dimethylisoxazol-4-yl)-1-[(1S)-1-(2-pyridyl)ethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid; 6JF; Benzoic acid, 4-(6-(3,5-dimethyl-4-isoxazolyl)-1-((1S)-1-(2-pyridinyl)ethyl)-1H-pyrrolo(3,2-b)pyridin-3-yl)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16038	.	.	438.5	C26H22N4O3	94	684	4	33	1	6	5	"1S/C26H22N4O3/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22/h4-14,16H,1-3H3,(H,31,32)/t16-/m0/s1"	CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3[C@@H](C)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)O)N=C2	AMSUHYUVOVCWTP-INIZCTEOSA-N
DG00643	BDGR-4	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB10322	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00644	Galidesivir	10445549	"Galidesivir; Immucillin-A; IMMUCILLIN A; 249503-25-1; BCX4430; BCX 4430 Free Base; BCX-4430; UNII-OLF97F86A7; (2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol; OLF97F86A7; BCX4430 freebase; ImmA cpd; 3,4-Pyrrolidinediol,2-(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-5-(Hydroxymethyl)-2s,3s,4r,5r; BCX4430 (freebase); UA2; CHEMBL1236524; SCHEMBL12468816; GTPL11920; BDBM50513995; HY-18649A; ZINC13492903; CS-3779; DB11676; NCGC00485882-01; BCX-4430 freebase;Immucillin-A;Galidesivir; P14655; A900809; (1S)-1-(9-Carbaadenine-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol; Galidesivir; BCX4430; BCX 4430; BCX-4430;(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11676	.	.	265.27	C11H15N5O3	140	334	-2.1	19	6	7	2	"1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1"	C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	AMFDITJFBUXZQN-KUBHLMPHSA-N
DG00645	Artesunate	6917864	"Artesunate; Artesunic acid; Arsumax; 88495-63-0; Dihydroqinghasu hemsuccinate; Artesunatum; Plasmotrin; Qinghaozhi; Saphnate; Arinate; Artesunato; Zysunate; Asumax; Gsunate Forte; Plasmotrim; UNII-60W3249T9M; CHEBI:63918; Succinyl dihydroartemisinin; 60W3249T9M; Arsuamoon; WR-256283; Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester; cosunate; Artesunata; SM 804; Cosinate; 4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanoic acid; 4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid; Armax 200; Artesunatum [INN-Latin]; Artesunato [INN-Spanish]; Artsuna; Nuartez; Artesunate [USAN:INN:BAN]; HSDB 7458; NSC-712571; Quinghaosu reduced succinate ester; D95; Dihydroartemisinine-12alpha-succinate; .alpha.-artesunic acid; WR 256283; Dihydroqinghaosu hemisuccinate; MLS006011590; CHEMBL361497; GTPL9956; SCHEMBL14552891; LJPC-0118; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, hydrogen succinate; ACT02643; HY-N0193; STR09744; BDBM50248021; ZINC14096305; AKOS037515734; CS-8151; DB09274; NCGC00164600-10; NCGC00164600-15; SMR002499399; Q707939; BRD-K54634444-001-05-9; WR-256283;ART;Armax 200;SM-804;HSDB-7458; 4-Oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10-yl hydrogen butanedioate; 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid; 4-oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0 ,(1)(3).0 ,(1)(3)]hexadecan-10-yl]oxy}butanoic acid; Butanedioic acid, mono((3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl) ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63918	DB09274	.	.	384.4	C19H28O8	101	623	2.5	27	1	8	5	"1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C	FIHJKUPKCHIPAT-AHIGJZGOSA-N
DG00646	Albendazole	2082	"Albendazole; 54965-21-8; Albenza; Eskazole; Valbazen; Zentel; Proftril; Albendazolum; SK&F 62979; SKF 62979; Andazol; Methyl 5-(propylthio)-2-benzimidazolecarbamate; SK&F-62979; 5-(Propylthio)-2-carbomethoxyaminobenzimidazole; SKF-62979; methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester; methyl N-[6-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; O-Methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate; NSC 220008; UNII-F4216019LN; Carbamic acid, [5-(propylthio)-1H-benzimidazol-2-yl]-, methyl ester; Albendazol; Bilutac; MFCD00083232; CHEMBL1483; CARBAMIC ACID, (5-(PROPYLTHIO)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle; [5-(Propylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; CHEBI:16664; Zental; F4216019LN; NSC-220008; methyl [6-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016876-01; CAS-54965-21-8; DSSTox_CID_2563; DSSTox_RID_76632; DSSTox_GSID_22563; Albendazol [INN-Spanish]; Albendazolum [INN-Latin]; methyl [5-(propylthio)-1H-benzimidazol-2-yl]carbamate; methyl 5-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; Methyl [5-(Propylthio)benzimidazol-2-yl]carbamate; methyl N-(5-propylsulfanyl-1H-benzimidazol-2-yl)carbamate; methyl N-[5-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; methyl (NZ)-N-(5-propylsulfanyl-1,3-dihydrobenzimidazol-2-ylidene)carbamate; Albenza (TN); HSDB 7444; EINECS 259-414-7; Albendazole (JAN/USP/INN); Zenteltrade mark; Albenzatrade mark; Andazoltrade mark; Eskazoletrade mark; Albendazole,(S); ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle [French]; Prestwick_675; Albendazole(Albenza); Albendazole (Albenza); Albendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001532; CPD000036735; (5-Propylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; Prestwick0_000247; Prestwick1_000247; Prestwick2_000247; Prestwick3_000247; Spectrum4_000201; Spectrum5_001567; ChemDivAM_000003; ChemDiv1_000190; Oprea1_429292; Oprea1_585016; Oprea1_640007; SCHEMBL44682; BSPBio_000034; BSPBio_002548; KBioGR_000801; KBioSS_002012; MLS000069722; BIDD:GT0615; DivK1c_000704; SPECTRUM1503903; methoxy-N-(5-propylthiobenzimidazol-2-yl)carboxamide; SPBio_002253; BPBio1_000038; DTXSID0022563; HMS502D06; HMS587I14; HXHWSAZORRCQMX-UHFFFAOYSA-; KBio1_000704; KBio2_002012; KBio2_004580; KBio2_007148; NINDS_000704; HMS1568B16; HMS1922K04; HMS2090G19; HMS2093K13; HMS2095B16; HMS2231O03; HMS3259B05; HMS3369C03; HMS3651C15; HMS3712B16; Pharmakon1600-01503903; [5-(Propythio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; BCP12108; HY-B0223; Tox21_110659; Tox21_302300; AC-015; BBL005883; BDBM50241293; CCG-39620; MFCD01220143; N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; NSC220008; NSC758644; s1640; STK387550; STL046130; ZINC17146904; AKOS000540882; AKOS005431684; AKOS005699352; Tox21_110659_1; CCG-220247; DB00518; KS-5159; MCULE-5872469561; NC00615; NSC-758644; IDI1_000704; methyl [(2Z)-5-(propylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]carbamate; NCGC00016876-02; NCGC00016876-03; NCGC00016876-04; NCGC00016876-05; NCGC00016876-06; NCGC00016876-07; NCGC00016876-08; NCGC00016876-09; NCGC00016876-10; NCGC00016876-12; NCGC00022896-03; NCGC00022896-04; NCGC00022896-05; NCGC00022896-06; NCGC00022896-07; NCGC00022896-08; NCGC00255250-01; Albendazole, analytical standard, >=98%; H152; SMR000036735; Albendazole 100 microg/mL in Acetonitrile; SBI-0051849.P002; DB-052669; AB00052377; FT-0621945; SW196830-3; EN300-49850; methyl 5-propylthio-2-benzimidazole carbamate; VU0239747-6; BIM-0051849.0001; C01779; D00134; H10782; J10424; Methyl 5-n-propylthio-2-benzimidazolecarbamate; AB00052377-13; AB00052377-14; AB00052377_15; AB00052377_16; A830429; Albendazole, Antibiotic for Culture Media Use Only; Q411629; SR-01000000171; SR-05000001875; methyl 5-(propylthio)-1H-benzimidazol-2-ylcarbamate; Q-200603; Q-200604; SR-01000000171-2; SR-05000001875-1; BRD-K79131256-001-04-7; BRD-K79131256-001-08-8; methyl 6-(propylthio)-1H-benzo[d]imidazol-2-ylcarbamate; Z1245635850; 2-[(Methoxycarbonyl)amino]-5-propylthio-1H-benzimidazole; Albendazole, European Pharmacopoeia (EP) Reference Standard; Methyl (6-(propylthio)-1H-benzo[d]imidazol-2-yl)carbamate; Methyl 5-(propylsulfanyl)-1H-benzimidazol-2-ylcarbamate #; Albendazole, United States Pharmacopeia (USP) Reference Standard; Albendazole, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16664	DB00518	DR01323	DR0055	265.33	C12H15N3O2S	92.3	291	2.9	18	2	4	5	"1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)"	CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	HXHWSAZORRCQMX-UHFFFAOYSA-N
DG00647	Nitrofurantoin	6604200	"Nitrofurantoin; 67-20-9; Furadantin; 5-Nitrofurantoin; Furadonine; Furadantine; Furadantoin; Furadoine; Furadontin; Furantoin; Nifurantin; Nitrofuradantin; Nitrofurantoine; Berkfurin; Chemiofuran; Furachel; Furadonin; Furatoin; Furobactina; Macrobid; Novofuran; Orafuran; Parfuran; Trantoin; Urantoin; Urofurin; Welfurin; Zoofurin; Cyantin; Cystit; Furalan; Furina; Ituran; Nitoin; Urizept; Urodin; Urolong; Furadantine mc; Uro-Tablinen; Fur-ren; Macrodantin; Macrofuran; Nitrofurantoina; Benkfuran; Dantafur; Furaloid; Nierofu; Macpac; Nitrex; Nitrofurantoinum; Fua Med; N-Toin; Usaf ea-2; 1-(5-Nitro-2-furfurylideneamino)hydantoin; N-(5-Nitrofurfurylidene)-1-aminohydantoin; NITROFURANTOIN, MACROCRYSTALLINE; N-(5-Nitro-2-furfurylidene)-1-aminohydantoin; 1-((5-Nitrofurfurylidene)amino)hydantoin; 1-[(5-Nitrofurfurylidene)amino]hydantoin; 1-(5-Nitro-2-furfurylidenamino)hydantoin; NCI-C55196; NSC 2107; NSC 44150; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina; UNII-927AH8112L; Nitrofurantoin anhydrous; Furadoninum; Nitrofurantoin macrocrystal; 1-(((5-Nitrofuran-2-yl)methylene)amino)imidazolidine-2,4-dione; 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione; Nitrofurantoin, macrocrystals; MLS000028500; Cistofuran; Macrodantina; Macrofurin; Nifuretten; Alfuran; Berkfuran; Ceduran; Furabid; Furedan; Gerofuran; Phenurin; Siraliden; Uerineks; Urofuran; Urolisa; CHEBI:71415; Hydantoin, 1-((5-nitrofurfurylidene)amino)-; PiyEloseptyl; 1-[[(5-Nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione; Furadantina MC; Furadantine-MC; Furophen T; Nitrofur-C; Ro-Antoin; Furadantin Retard; Uro-Selz; Ivadantin; MFCD00003224; 927AH8112L; SMR000058271; 1-(((5-Nitrofuran-2-yl)methylene)-amino)imidazolidine-2,4-dione; 1-{[(1E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Nitrofurantoina [DCIT]; 2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-; Nitrofurantoine [INN-French]; Nitrofurantoinum [INN-Latin]; Furodantin; 2,4-Imidazolidinedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; Fuamed; NSC-2107; 1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Furadantin (TN); Macrobid (TN); CCRIS 1192; Hydantoin, 1-[(5-nitrofurfurylidene)amino]-; HSDB 3135; SR-05000001681; EINECS 200-646-5; NITROFURANTOIN MACROCRYSTALLINE; NSC2107; Furantoina; Furadoin; Furadoxyl; Uvamin; N-(5-Nitro-2-furfurylideno)-1-aminohydantoina [Polish]; NSC44150; 1-[[(5-nitrofuran-2-yl)methylene]amino]imidazolidine-2,4-dione; AI3-26388; Nitrofurantoin (JAN/USP/INN); Furophen T-Caps; NCGC00091505-01; NCGC00091505-07; Prestwick_358; Nitrofurantoin Macro; 5-Nitrofurantoindorn; J01XE01; Nitrofurantoin [USP:INN:BAN:JAN]; ND-3320; ND-7248; Nitrofurantoin, 97%; Nitrofurantoinum anhydrous; Prestwick2_000168; Prestwick3_000168; Spectrum5_001367; Nitrofurantoin, crystalline; CHEMBL572; Nitrofurantoin Macrocrystals; cid_4509; SCHEMBL29470; SCHEMBL29472; BSPBio_000035; BSPBio_002073; BIDD:GT0181; SPECTRUM1500433; BPBio1_000039; BDBM57045; CHEBI:95222; HMS500L06; HMS1568B17; HMS1920P21; HMS2091H16; HMS2095B17; HMS3712B17; Pharmakon1600-01500433; 1-[(E)-(5-nitro-2-furyl)methyleneamino]imidazolidine-2,4-dione; HY-A0090; ZINC7997568; 2,4-Imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-; CCG-40108; NSC757243; s4536; STK009471; STL454163; AKOS001678301; DB00698; NSC-757243; IDI1_000224; NCGC00091505-03; NCGC00091505-04; NCGC00091505-05; NCGC00091505-06; NCGC00091505-08; NCGC00091505-09; NCGC00091505-10; LS-13402; 1-((5-nitrofurfurylidene)amino)-hydantoin; SBI-0051457.P003; AB00513815; BB 0310231; N0883; A16008; C07268; D00439; J10193; AB00052052_03; A835659; Hydantoin, n-(5-nitro-2-furfurylidene)-1-amino-; Nitrofurantoin, VETRANAL(TM), analytical standard; Q-201479; SR-05000001681-1; SR-05000001681-2; SR-05000001681-3; SR-05000001681-4; BRD-K76927775-001-05-0; Nitrofurantoin, Antibiotic for Culture Media Use Only; Hydantoin, 1-[(5-nitrofurfurylidene)amino]- (7CI,8CI); 1-((5-nitro-2-furanyl)methylene)amino-2,4-imidazolidenedione; 1-{[(5-nitro-2-furyl)methylene]amino}imidazolidine-2,4-dione; (E)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione; 1-([(5-Nitro-2-furyl)methylidene]amino)-2,4-imidazolidinedione #; 1-[(E)-(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione; 1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione; Nitrofurantoin, United States Pharmacopeia (USP) Reference Standard; 1-{[(E)-1-(5-nitro-2-furyl)methylidene]amino}-1H-imidazole-2,4(3H,5H)-dione; 4-hydroxy-1-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}-1,5-dihydro-2H-imidazol-2-one; N-(5-Nitro-2-furfurylidine)-1-aminohydantoin; N-(5-Nitrofurfurylidene)-1aminohydantoin; Nitrofurantoin, Pharmaceutical Secondary Standard; Certified Reference Material; 178170-37-1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71415	DB00698	DR00886	DR1169	238.16	C8H6N4O5	121	390	-0.5	17	1	6	2	"1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+"	C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]	NXFQHRVNIOXGAQ-YCRREMRBSA-N
DG00648	Idelalisib	11625818	"Idelalisib; 870281-82-6; CAL-101; Zydelig; GS-1101; CAL 101; CAL101; (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; 1146702-54-6; Idelalisib (CAL-101); UNII-YG57I8T5M0; CAL-101 (Idelalisib, GS-1101); GS 1101; (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; YG57I8T5M0; CHEMBL2216870; CHEBI:82701; 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one; Idelalisib; CAL-101; 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone; 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one; 5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one; 5-Fluoro-3-Phenyl-2-[(1s)-1-(7h-Purin-6-Ylamino)propyl]quinazolin-4(3h)-One; Idelalisib [USAN:INN]; Idealisib; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE; Zydelig (TN); MLS006010985; Idelalisib (JAN/USAN/INN); SCHEMBL356400; C22H18FN7O; GTPL6741; QCR-36; SCHEMBL16782604; HSDB 8408; AMY9239; CAL-101/CAL101; EX-A330; GS-11CAL-101; BCPP000307; DTXSID701007266; AOB87313; BCP02532; EX-A1242; BDBM50403068; MFCD19443647; NSC759224; NSC762828; NSC800771; s2226; ZINC13986658; AKOS022186334; Idelalisib (CAL-101,GS-1101); BCP9000471; CCG-264949; CS-0256; DB09054; LS41100; NSC-759224; NSC-762828; NSC-800771; CAL-101 (GS-1101); NCGC00262603-01; NCGC00262603-02; NCGC00262603-04; AC-28394; HY-13026; IC489666; SMR004702787; SW219823-1; X7435; A-1138; D10560; J-517532; Q5908266; BRD-K60866521-001-01-4; (S)-5-fluoro-3-phenyl-2-[1-(9H-purin-6-ylamino)-propyl]-3H-quinazolin-4-one; 4(3H)-Quinazolinone,5-fluoro-3-phenyl-2-[(1S)-1-(1H-purin-6-ylamino)propyl]-; 5-Fluoro-3-phenyl-2-{1-[(9H-purin-6-yl)amino]propyl}quinazolin-4(3H)-one; 1453810-72-4; 40L"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82701	DB09054	DR00219	DR0854	415.4	C22H18FN7O	99.2	685	3.7	31	2	7	5	"1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1"	CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	IFSDAJWBUCMOAH-HNNXBMFYSA-N
DG00651	Bevacizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00657	Praziquantel	4891	"Praziquantel; 55268-74-1; Biltricide; Droncit; Pyquiton; Cesol; Embay 8440; Praziquantelum; Azinox; 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; MLS000038419; Praziquantel (Biltricide); MFCD00058531; SMR000037139; 2-(cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; 2-(cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; 135526-78-2; Cutter Tape Tabs; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one; 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-piperazino[2,1-a]isoquinolin-4-one; 4H-Pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-; 4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-; NSC-757285; Distocide; Prazinon; DSSTox_CID_1182; DSSTox_RID_75995; DSSTox_GSID_21182; Praziquantelum [INN-Latin]; Cutter; Biltricide (TN); CCRIS 4114; SR-01000003100; EINECS 259-559-6; BRN 0761557; Bay-8440; Praziquantel (JAN/USP/INN); EMBAY-8440; Praziquantel,(S); NCGC00016877-01; Prestwick_402; CAS-55268-74-1; (+-)-Praziquantel; Praziquantel [USAN:USP:INN:BAN:JAN]; Spectrum_001119; Opera_ID_378; Prestwick0_000260; Prestwick1_000260; Prestwick2_000260; Prestwick3_000260; Spectrum2_001288; Spectrum3_000550; Spectrum4_000482; Spectrum5_001064; CHEMBL976; P 4668; cid_4891; Lopac0_000909; Oprea1_163497; SCHEMBL44153; BSPBio_000080; BSPBio_002199; KBioGR_000963; KBioSS_001599; 5-24-03-00361 (Beilstein Handbook Reference); MLS000028528; MLS001201812; MLS001304085; MLS002548849; MLS006011880; DivK1c_000130; SPECTRUM1500494; SPBio_001295; SPBio_002299; Praziquantel-(cyclohexyl-d11); BPBio1_000088; DTXSID9021182; SCHEMBL16019896; BDBM74574; CHEBI:91583; HMS500G12; KBio1_000130; KBio2_001599; KBio2_004167; KBio2_006735; KBio3_001699; (S)-2-(Cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; NINDS_000130; HMS1568D22; HMS1920J06; HMS2090J19; HMS2092A09; HMS2095D22; HMS3259K07; HMS3262F20; HMS3655O19; HMS3712D22; Pharmakon1600-01500494; AMY16524; BCP17829; BCP28525; BCP30228; HY-B0244; WZB34336; Tox21_110660; Tox21_201950; Tox21_302927; Tox21_500909; CCG-39773; NSC757285; Praziquantel, anthelminic, neurogenic; s1691; STK030186; AKOS000541869; AKOS016398525; Tox21_110660_1; AC-8426; DB01058; LP00909; MCULE-1638759858; NC00468; NSC 757285; SB49202; SDCCGSBI-0050884.P005; 2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazinoe(2,1a)isoquinolin-4-one; IDI1_000130; NCGC00015818-04; NCGC00015818-05; NCGC00015818-06; NCGC00015818-07; NCGC00015818-08; NCGC00015818-11; NCGC00015818-12; NCGC00015818-14; NCGC00015818-15; NCGC00015818-26; NCGC00089733-02; NCGC00089733-03; NCGC00089733-04; NCGC00089733-05; NCGC00256422-01; NCGC00259499-01; NCGC00261594-01; AS-12459; BP166192; SY052322; SBI-0050884.P004; DB-052707; (S)-Praziquantel; Praziquantel, (S)-Isomer; AB00052075; EU-0100909; FT-0630676; P2125; SW196645-3; 1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one; 2-(cyclohexanecarbonyl)-2,3,6,7-tetrahydro-; C07367; D00471; J10194; AB00052075-13; AB00052075-15; AB00052075_16; AB00052075_17; Praziquantel, VETRANAL(TM), analytical standard; 268P741; A830562; Q424145; Praziquantel, Antibiotic for Culture Media Use Only; Q-201612; SR-01000003100-3; SR-01000003100-5; SR-01000003100-7; BRD-A21858158-001-05-2; BRD-A21858158-001-16-9; SR-01000003100-16; F0037-0136; Z1563145961; Praziquantel, European Pharmacopoeia (EP) Reference Standard; Praziquantel, United States Pharmacopeia (USP) Reference Standard; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro- 4H-pyrazino[2,1-a]-isoquinolin-4-one; 2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino-[2,1- a]isoquinolin-4-one; 2-(Cyclohexylcarbonyl)-1,2,3,6,7-11b-hexahydro-4H-pyrazino[2,1-aisoquinolin-4-one; 2-[cyclohexyl(oxo)methyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; 2-Cyclohexylcarbonyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one; Praziquantel for system suitability, European Pharmacopoeia (EP) Reference Standard; Praziquantel, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91583	DB01058	.	DR1329	312.4	C19H24N2O2	40.6	472	2.7	23	0	2	1	"1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2"	C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2	FSVJFNAIGNNGKK-UHFFFAOYSA-N
DG00659	Vardenafil	135400189	"Vardenafil; 224785-90-4; Levitra; Vivanza; UNII-UCE6F4125H; Levitra (TN); 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE; CHEMBL1520; UCE6F4125H; VDN; CHEBI:46295; BAY38-9456; BAY 38-9456; Vardenafil-d5; 224789-15-5; 2-(2-ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one; 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one; Vardenafil ODT; 2-(2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-one; 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one; HSDB 7304; SR-05000001442; NCGC00167533-01; Vardenafil [USAN:INN:BAN]; Vardenafil (Vivanza); 1189685-70-8; 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one; Vardenafil (USAN/INN); EC 607-088-5; SCHEMBL5772; BSPBio_002392; 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine; GTPL7320; DTXSID3048318; BDBM14776; HMS2089K04; HMS3715F19; BCP02961; EX-A2806; HY-B0442; STK642629; ZINC18324776; AKOS005574038; AKOS015994765; AKOS022186043; BAY-389456; CCG-221149; DB00862; GS-6519; KS-5073; MCULE-5211071344; SB17349; NCGC00167533-03; 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4-ol; Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-; BCP0726000254; SBI-0206836.P001; FT-0631204; FT-0675783; 85V904; D08668; AB00698215-08; AB01274740-01; AB01274740_02; AB01274740_03; AB01275440-01; Q424161; J-014730; SR-05000001442-1; SR-05000001442-2; BRD-K13926615-003-01-7; BRD-K13926615-003-02-5; Z2790753946; 2-(2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)-5-methyl-7-propylimidazo(5,1-f)triazin-4(3H)-one; 2-(2-ethoxy-5-(4-ethylpiperazin-1-ylsulfonyl)phenyl)-5-methyl-7-propylimidazo[1,5-f][1,2,4]triazin-4(1H)-one; 2-[2-ethoxy-5-(4-ethyl-piperazine-1-sulphonyl)-phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one; 2-[2-ethoxy-5-(4-ethyl-piperazine-1-sulphonyl)-phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazine-4-one; 2-[2-ethoxy-5-(4-ethylpiperazine-1-sulfonyl)phenyl]-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one; 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazin-4-one; 2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phenyl}-5-methyl-7-propyl-3H,4H-imidazo[1,5-a][1,2,4]triazin-4-one; citric acid;2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46295	DB00862	DR00169	.	488.6	C23H32N6O4S	118	854	2.5	34	1	8	8	"1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)"	CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	SECKRCOLJRRGGV-UHFFFAOYSA-N
DG00660	Sonidegib	24775005	"Sonidegib; Erismodegib; 956697-53-3; LDE225; NVP-LDE225; Odomzo; LDE-225; NVP-LDE 225; LDE 225; UNII-0RLU3VTK5M; Sonidegib (LDE-225); LDE225 (NVP-LDE225,Erismodegib); 0RLU3VTK5M; 956697-53-3 (free base); N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide; Odomozo; N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; n-(6-((2r,6s)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide; N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide; N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; Sonidegib [USAN:INN]; Erismodegib [USAN:INN]; Sonidegib phospate; LDE225 (NVP-LDE225; Erismodegib); Sonidegib (USAN/INN); 1218778-76-7; erismodegib (deleted INN); NVP-LDE225(Erismodegib); Sonidegib (NVP-LDE225); MLS006011198; NVP-LDE-225; SCHEMBL554455; GTPL8199; CHEMBL2105737; CHEBI:90863; EX-A409; C26H26F3N3O3; LDE225(NVP-LDE225); DTXSID501009335; BCP02275; LDE225 - NVP-LDE225; BDBM50394562; HY-16582A; MFCD16038928; NSC761385; NSC761386; s2151; ZINC68202099; AKOS015994541; BCP9001014; CCG-264935; CS-0904; DB09143; EE-0005; NSC-761385; NSC-761386; LDE225 (NVP-LDE225, Erismodegib); NCGC00250382-01; NCGC00250382-05; NCGC00250382-07; (1,1'-Biphenyl)-3-carboxamide, N-(6-((2R,6S)-2,6-dimethyl-4-morpholinyl)-3-pyridinyl)-2- methyl-4'-(trifluoromethoxy)-, rel-; [1,1'-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(t; AC-32799; HY-10296; N-(6-((cis-2,6-Dimethylmorpholin-4-yl)-3-pyridyl)-2-methyl-3-(4-(trifluoromethoxy)phenyl)benzamide; SMR004702967; SW218115-2; X7564; D10119; BRD-K19796430-001-01-5; Q22075856; [1,1'-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-, rel-; Erismodegib; ; ; LDE 225; ; ; NVP-LDE 225; ; ; N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; N-(6-((2R,6S)-2,6-Dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'- (trifluoromethoxy)biphenyl-3-carboxamide; N-(6-(cis-2,6-Dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; N-[6-[(2R,6S)-2,6-Dimethyl-4-morphlinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide; rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide; rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90863	DB09143	.	.	485.5	C26H26F3N3O3	63.7	691	5.8	35	1	8	5	"1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+"	C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F	VZZJRYRQSPEMTK-CALCHBBNSA-N
DG00661	Miltefosine	3599	"Miltefosine; 58066-85-6; Hexadecylphosphocholine; Miltex; Impavido; Hexadecylphosphorylcholine; HDPC; n-Hexadecylphosphorylcholine; Miltefosinum; Miltefosina; 1-Hexadecylphosphorylcholine; hexadecyl 2-(trimethylammonio)ethyl phosphate; hexadecyl phosphocholine; Miltefosin C; n-hexadecylphosphocholine; hexadecyl 2-(trimethylazaniumyl)ethyl phosphate; D-18506; miltefosin; C21H46NO4P; UNII-53EY29W7EC; NSC605583; hexadecyl (2-(trimethylAmmonio)ethyl) phosphate; monohexadecylphosphocholine; CHEMBL125; monohexadecylphosphorylcholine; HePC;Hexadecyl phosphocholine; 53EY29W7EC; CHEBI:75283; MFCD00133396; MMV688990; NSC-605583; NSC-758968; NCGC00095169-01; Miltefos; DSSTox_CID_25942; DSSTox_RID_81240; DSSTox_GSID_45942; Miltefosinum [INN-Latin]; Miltefosina [INN-Spanish]; Miltefosine [INN:BAN]; Fos-choline 16; Miltefosine (INN); CAS-58066-85-6; D 18506; Choline hexadecyl phosphate; BRN 3690495; Miltextrade mark; HePC Hydrate; Impavidotrade mark; D18506; Impavido (TN); Choline, inner salt; TF-002; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide, inner salt; NSC 605583; Choline hydroxide, hexadecyl hydrogen phosphate, inner salt; Choline phosphate, hexadecyl ester, hydroxide, inner salt (6CI); Hexadecyl Phosphorylcholine; H-1850; M-7200; Ethanaminium, 2-(((hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt; SCHEMBL26215; 4-04-00-01460 (Beilstein Handbook Reference); SPECTRUM1505329; DTXSID7045942; GTPL11355; Hexadecyl Phosphorylcholine Hydrate; HMS1922D16; HMS2089J15; HMS3649I09; Pharmakon1600-01505329; hexadecylphosphocholine, miltefosine; BCP04506; miltefosine (hexadecylphosphocholine); Tox21_111466; BDBM50034220; CCG-35584; CCG-36097; CCG-40025; DL-131; Hexadecyl 2-(trimethyl-.lambda.~5~-azanyl)ethyl hydrogen phosphate; NSC758968; s3056; 1-N-HEXADECYLPHOSPHORYLCHOLINE; AKOS015914886; Tox21_111466_1; BCP9000927; DB09031; NCGC00095169-02; NCGC00095169-03; NCGC00095169-05; NCGC00095169-07; HY-13685; BCP0726000071; FT-0608148; M2445; hexadecyloxy-2-trimethylammonioethylphosphorate; D02494; AB00642217-03; AB00642217_04; Miltefosine, >=98% (perchloric acid titration); A831718; Q411787; Hexadecyl 2-(Trimethylammonio)ethyl Phosphate Hydrate; 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester; [2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium; 3, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide; hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate; Phosphoric Acid Hexadecyl 2-(Trimethylammonio)ethyl Ester Hydrate; 2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75283	DB09031	.	DR1092	407.6	C21H46NO4P	58.6	363	6.7	27	0	4	20	"1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3"	CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C	PQLXHQMOHUQAKB-UHFFFAOYSA-N
DG00662	Acyclovir	135398513	"Acyclovir; Aciclovir; Acycloguanosine; 59277-89-3; Zovirax; Vipral; Virorax; Wellcome-248U; Aciclovirum; 9-[(2-Hydroxyethoxy)methyl]guanine; 2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one; Zovir; Sitavig; 9-(2-Hydroxyethoxy)methylguanine; Acyclovir-side chain-2-3H; 9-HYROXYETHOXYMETHYLGUANINE; W-248-U; 9-((2-Hydroxyethoxy)methyl)guanine; UNII-X4HES1O11F; 2-Amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one; NSC 645011; CHEBI:2453; 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; Acyclovir (Aciclovir); 2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-; Zovirax (TN); MFCD00057880; 141294-79-3; 9-[(2-Hydroxyethoxy)-methyl]guanine; 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one; X4HES1O11F; MLS000069633; Activir; 9-(2-Hydroxyethoxymethyl)guanine; NSC645011; NSC-645011; NSC-758477; AC2; 2-amino-9-((2-hydroxyethoxy)methyl)-3H-purin-6(9H)-one; NCGC00015061-02; Aciclovirum [Latin]; Aciclovier; Hascovir; SMR000058225; Genvir; Maynar; Zyclir; CAS-59277-89-3; 6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-; DSSTox_CID_2556; 2-amino-9-(2-hydroxyethoxymethyl)purin-6-ol; DSSTox_RID_76626; Aciclovirum [INN-Latin]; DSSTox_GSID_22556; Acicloftal; Cargosil; Gerpevir; Viropump; AcycloFoam; 2-amino-9-[(2-hydroxyethoxy)methyl]-3,9-dihydro-6H-purin-6-one; 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one; Acic; BW-248U; 2-amino-9-{[(2-hydroxyethyl)oxy]methyl}-1,9-dihydro-6H-purin-6-one; Acyclo-V; Acyclovir Lauriad; DRG-0008; Acyclovir (USP); BW 248U; CCRIS 1953; HSDB 6511; SR-01000075540; Acyclovir [USAN:USP]; EINECS 261-685-1; ACV & Pluronic F-68; Acyclovir & Pluronic F-68; Cyclovir; Novirus; Poviral; Sitavir; 2-amino-9-((2-hydroxyethoxy)methyl)-3,9-dihydro-6H-purin-6-one; Prestwick_6; ACYCLOVIR-SIDECHAIN-2-3H; 1pwy; Aciclovir [INN]; BW-248-U; Sitavig (TN); Spectrum_001739; Opera_ID_1674; Prestwick0_000086; Prestwick1_000086; Prestwick2_000086; Prestwick3_000086; Spectrum2_001563; Spectrum3_001874; Spectrum4_000225; Spectrum5_001093; Lopac-A-4669; Aciclovir (JP17/INN); CHEMBL184; A 4669; SCHEMBL3175; Lopac0_000037; BSPBio_000012; BSPBio_003348; KBioGR_000889; KBioSS_002219; BIDD:GT0646; DivK1c_000185; SPECTRUM1503603; SPBio_001466; SPBio_001951; 2-amino-9-[(2-hydroxyethoxy)methyl]hydropurin-6-one; BPBio1_000014; GTPL4829; SCHEMBL9828560; 9(2-hydroxyethoxymethyl)guanine; DTXSID1022556; HMS500J07; KBio1_000185; KBio2_002219; KBio2_004787; KBio2_007355; KBio3_002850; NINDS_000185; HMS1568A14; HMS1922E08; HMS2090G09; HMS2095A14; HMS2234K21; HMS3259N10; HMS3260G15; HMS3269M15; HMS3372K02; HMS3413D21; HMS3655C14; HMS3677D21; HMS3712A14; Pharmakon1600-01503603; BCP11036; ZINC1530555; 9-(2-hydroxyethoxy methyl) guanine; Tox21_110075; Tox21_500037; 69657-51-8 (Na salt); BBL009642; BDBM50021776; BDBM50103518; CCG-39909; NSC758477; NSC780378; s1807; STK796771; STL257059; STL301862; AKOS000656213; AKOS015995680; AKOS022135433; Tox21_110075_1; AC-8068; CS-1353; DB00787; KS-1027; LP00037; MCULE-2703274259; NC00717; NSC-780378; SDCCGSBI-0050026.P003; IDI1_000185; SMP1_000007; NCGC00015061-01; NCGC00015061-03; NCGC00015061-04; NCGC00015061-05; NCGC00015061-06; NCGC00015061-07; NCGC00015061-08; NCGC00015061-09; NCGC00015061-10; NCGC00015061-12; NCGC00015061-13; NCGC00015061-28; NCGC00015061-29; NCGC00022426-03; NCGC00093555-01; NCGC00093555-02; NCGC00093555-03; NCGC00093555-04; NCGC00167756-01; NCGC00167756-02; NCGC00260722-01; NCGC00381719-03; HY-17422; SY051130; Acycloguanosine, >=99% (HPLC), powder; Aciclovir 1.0 mg/ml in Dimethyl Sulfoxide; AM20100442; EU-0100037; FT-0621607; FT-0657847; SW196324-3; C06810; D00222; J10243; 277A893; A832236; A935190; Q147101; Q-200591; SR-01000075540-1; SR-01000075540-3; SR-01000075540-5; 2-amino-9-[(2-hydroxyethoxy)methyl]-9H-purin-6-ol; 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; BRD-K32318651-001-17-9; Aciclovir, British Pharmacopoeia (BP) Reference Standard; F2173-0946; Aciclovir, European Pharmacopoeia (EP) Reference Standard; 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one; Acyclovir, United States Pharmacopeia (USP) Reference Standard; 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one (ACV); 2-Amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one #; ACV; Acycloguanosine; Acyclovir; NSC 645011; NSC-645011; NSC645011; Acyclovir, Pharmaceutical Secondary Standard; Certified Reference Material; Aciclovir for peak identification 1, European Pharmacopoeia (EP) Reference Standard; Aciclovir for peak identification 2, European Pharmacopoeia (EP) Reference Standard; Aciclovir for system suitability, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2453	DB00787	DR00325	.	225.2	C8H11N5O3	115	308	-1.9	16	3	5	4	"1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)"	C1=NC2=C(N1COCCO)N=C(NC2=O)N	MKUXAQIIEYXACX-UHFFFAOYSA-N
DG00677	Trametinib	11707110	"Trametinib; 871700-17-3; GSK1120212; Mekinist; GSK-1120212; JTP 74057; JTP-74057; GSK 1120212; Trametinib (GSK1120212); N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide; GSK212; UNII-33E86K87QN; TMT212; CHEBI:75998; TMT-212; 33E86K87QN; N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide; N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide; N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide; Trametinib [USAN:INN]; trametinibum; JTP74057; N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)acetamide; N-(3-{3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7- tetrahydropyrido(4,3-d)pyrimidin-1(2H)-yl}phenyl)acetamide; QOM; Trametinib (USAN); Trametinib (GSK1120212JTP 74057); SCHEMBL170938; C26H23FIN5O4; GTPL6495; QCR-39; GSK1120212 (Trametinib); CHEMBL2103875; EX-A022; BCPP000218; DTXSID901007381; HMS3295I05; HMS3656J11; AOB87707; BCP02307; BDBM50531540; MFCD17215075; NSC758246; NSC800956; s2673; ZINC43100709; AKOS015850628; AM90271; CCG-264976; CS-0060; DB08911; EX-5957; NSC-758246; NSC-800956; SB16553; NCGC00263180-01; NCGC00263180-07; NCGC00263180-14; AC-25891; AS-19382; HY-10999; N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodo-anilino)-6,8-dimethyl-2,4,7-trioxo-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide; FT-0688438; SW218089-2; X7454; A25168; D10175; GSK1120212 - JTP-74057; GSK1120212,JTP-74057, GSK212; SR-01000941589; A1-01871; J-523325; Q7833138; SR-01000941589-1; BRD-K12343256-001-01-4; Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8- dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-; Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-; N-(3-(3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide; N-[3-[3-Cyclopropyl-5-[(2-Fluoro-4-Iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2h)-yl]phe nyl]acetamide; N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxopyrido[3,4-e]pyrimidin-1-yl]phenyl]acetamide; N-{3-[3-Cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}ethanimidic acid; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodophenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl}acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75998	DB08911	.	.	615.4	C26H23FIN5O4	102	1090	3.4	37	2	6	5	"1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)"	CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5	LIRYPHYGHXZJBZ-UHFFFAOYSA-N
DG00678	Ethambutol	14052	"Ethambutol; 74-55-5; Ethambutolum; Aethambutolum; D-Ethambutol; (+)-S,S-Ethambutol; Ethambutol Hydrochloride; (+)-ethambutol; (S,S)-ethambutol; Myambutol; (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol); Etambutolo [DCIT]; Tibutol; Etambutol [INN-Spanish]; Ethambutolum [INN-Latin]; S,S-Ethambutol; Diambutol; Ebutol; CHEBI:4877; UNII-8G167061QZ; (+)-2,2'-(Ethylenediimino)di-1-butanol; Purderal; (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine; EMB; (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; 8G167061QZ; (2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-; 1-Butanol,2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-; (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol; (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol; Etambutolo; C10H24N2O2; D-2,2'-(Ethylenediimino)di-1-butanol; D-2,2'-(Ethylenediimino)bis(1-butanol); 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-; Ethambutol, racemic mixture; 1-Butanol, 2,2'-(ethylenediimino)di-, (+)-; d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; Ethambutol [INN:BAN]; (R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol; NCGC00178864-03; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-; HSDB 3078; Servambutol (TN); 95E; Ethambutol (INN); EINECS 200-810-6; Spectrum_001058; Spectrum2_001014; Spectrum3_000426; Spectrum4_000545; Spectrum5_000702; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-; Myambutol (dihydrochloride); SCHEMBL3399; BSPBio_002012; KBioGR_001209; KBioSS_001538; CHEMBL44884; DivK1c_000561; SPBio_001167; CL 40881 (dihydrochloride); DTXSID8023006; KBio1_000561; KBio2_001538; KBio2_004106; KBio2_006674; KBio3_001232; NINDS_000561; HY-B0535; 2860AH; BDBM50448407; ZINC19364219; DB00330; MCULE-9663372083; IDI1_000561; NCGC00178864-01; NCGC00178864-04; SBI-0051375.P003; C06984; D07925; D94801; E-3950; AB00053473_04; AB00053473_05; Q412318; (S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol; BRD-K93231391-300-03-1; (+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol; Ethambutol dihydrochloride, Antibiotic for Culture Media Use Only; (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol; (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4877	DB00330	.	.	204.31	C10H24N2O2	64.5	109	-0.1	14	4	4	9	"1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1"	CC[C@@H](CO)NCCN[C@@H](CC)CO	AEUTYOVWOVBAKS-UWVGGRQHSA-N
DG00695	Tacrine	1935	"Tacrine; 1,2,3,4-tetrahydroacridin-9-amine; 321-64-2; Tetrahydroaminacrine; 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE; Tetrahydroaminoacridine; Tetrahydroaminocrine; Cognex; Tetrahydroaminocrin; 9-amino-1,2,3,4-tetrahydroacridine; Tacrinum; 9-Acridinamine, 1,2,3,4-tetrahydro-; CS 12602; UNII-4VX7YNB537; 1,2,3,4-Tetrahydro-9-aminoacridine; Acridine, 1,2,3,4-tetrahydro-9-amino-; CHEMBL95; 5-Amino-6,7,8,9-tetrahydroacridine; 4VX7YNB537; CHEBI:45980; 5,6,7,8-tetrahydroacridin-9-amine; tacrine.HCl; NCGC00015054-06; Tacrina; Tacrine [INN:BAN]; Tacrinum [INN-Latin]; Tacrina [INN-Spanish]; DSSTox_CID_17272; DSSTox_RID_79318; DSSTox_GSID_37272; Tacrinal; Tacrinal (TN); CAS-321-64-2; Tacrine (INN); EINECS 206-291-2; 5-Amino-6,7,8,9-tetrahydroacridine (European); BRN 0147610; 1,2,3,4-Tetrahydro-acridin-9-ylamine; Tracine; 1acj; 2aow; 2aox; 1,2,3,4-Tetrahydro-9-acridineamine; Romotal (Salt/Mix); Spectrum_000416; Tocris-0965; 1mx1; Prestwick0_000329; Prestwick1_000329; Prestwick2_000329; Prestwick3_000329; Spectrum2_001812; Spectrum3_001709; Spectrum4_000819; Spectrum5_001402; Lopac-A-3773; cid_1935; SCHEMBL2828; 9-THA; NCIOpen2_003667; Lopac0_000036; Oprea1_008681; Acridine, 9-aminotetrahydro-; BSPBio_000337; BSPBio_003298; KBioGR_001337; KBioSS_000896; BIDD:GT0090; DivK1c_000936; SPBio_001823; SPBio_002258; BDBM8961; BPBio1_000371; GTPL6687; DTXSID1037272; KBio1_000936; KBio2_000896; KBio2_003464; KBio2_006032; KBio3_002518; NINDS_000936; HMS2089F19; HMS3743C11; BCP03564; Tox21_110073; Tox21_302277; MFCD00046923; PDSP1_000330; PDSP2_000328; STK101308; ZINC19014866; AKOS000277493; Tox21_110073_1; BCP9000019; CCG-204132; DB00382; MCULE-3628803328; SDCCGSBI-0050025.P004; 1,2,3,4-tetra -hydro-9-acridinamine; IDI1_000936; NCGC00015054-01; NCGC00015054-02; NCGC00015054-03; NCGC00015054-04; NCGC00015054-05; NCGC00015054-07; NCGC00015054-08; NCGC00015054-09; NCGC00015054-10; NCGC00015054-12; NCGC00024908-01; NCGC00024908-03; NCGC00024908-04; NCGC00024908-05; NCGC00255540-01; 1,2,3,4-tetrahydro-acridin-9-yl-amine; BS-28027; Acridine, 9-amino-1,2,3,4-tetrahydro-; SBI-0050025.P003; DB-000650; 9-amino-1,2,3,4-tetrahydroacridine (THA); AB00053524; C-110; EU-0010966; FT-0631953; 9-Acridinamine, 1,2,3,4-tetrahydro- (9CI); A18628; C01453; D08555; AB00053524-17; AB00053524_18; AB00053524_19; AE-641/00604043; Q421076; BRD-K81473089-003-03-0; BRD-K81473089-003-04-8; BRD-K81473089-003-15-4; SR-01000075593-13; Z56790573"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45980	DB00382	DR00183	.	198.26	C13H14N2	38.9	229	2.7	15	1	2	0	"1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)"	C1CCC2=NC3=CC=CC=C3C(=C2C1)N	YLJREFDVOIBQDA-UHFFFAOYSA-N
DG00705	Bicalutamide	2375	"Bicalutamide; 90357-06-5; Casodex; Cosudex; Bicalutamide (CDX); Calutide; ICI 176334; ICI-176334; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide; Bicalutamide (Casodex); CHEMBL409; ICI 176,334; MFCD00869971; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide; NSC-759816; Raffolutil; Kalumid; SMR000466329; Casodex (TN); SR-01000759410; BRN 5364666; Bicalutamine; Bicalutamide (JAN/USP/INN); Propanamide,; CCRIS 8728; HSDB 7655; Bicalutamide [USAN:USP:INN:BAN]; (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide; KS-1161; Bicalutamide - Casodex; CPD000466329; SCHEMBL3611; (R)-(-)-Bicalutamide-d4; MLS000759437; MLS001424047; Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-; S-(+)-Bicalutamide-[d4]; GTPL2863; DTXSID2022678; BDBM18525; CHEBI:91617; AOB5596; EX-A962; CHEBI:144093; BCPP000337; HMS2051B13; HMS2089N12; HMS2232H03; HMS3263M13; HMS3372K05; HMS3393B13; HMS3654K18; HMS3714P13; Pharmakon1600-01504827; ACT06291; AMY33430; BCP02110; Tox21_501026; NSC722665; NSC759816; s1190; AKOS015895073; AC-4232; BCP9000408; CCG-100951; CCG-220876; CCG-222330; CS-1296; DB01128; LP01026; NC00201; NSC 759816; NSC-722665; SB17301; SDCCGSBI-0633779.P001; N-(4-cyano-3-(trifluoromethyl)phenyl); NCGC00167977-01; NCGC00167977-02; NCGC00167977-03; NCGC00167977-09; NCGC00167977-20; NCGC00261711-01; HY-14249; ICI176,334-1; Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-; DB-041165; B3206; FT-0618286; FT-0631069; FT-0663100; SW197581-4; Bicalutamide (CDX), >=98% (HPLC), powder; C08160; D00961; J10442; AB00639963-06; AB00639963-08; AB00639963-09; AB00639963_10; 357B065; A803039; A843528; Q1988832; SR-01000759410-4; SR-01000759410-5; BRD-A29485665-001-03-7; Bicalutamide, British Pharmacopoeia (BP) Reference Standard; Bicalutamide, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, United States Pharmacopeia (USP) Reference Standard; 4'-cyano-3-[(4- fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; 4'-cyano-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methyl-3'-trifluoromethylpropionanilide; Bicalutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; Bicalutamide, Pharmaceutical Secondary Standard; Certified Reference Material; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-N-phenylpropanamide; N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methyl-2-oxidanyl-propanamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide; N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropionamide; N-[4-cyano-3-trifluoromethyl-phenyl]-3-[4-fluorophenyl-sulfonyl]-2-hydroxy-2-methyl-propionamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91617	DB01128	DR00795	DR0210	430.4	C18H14F4N2O4S	116	750	2.3	29	2	9	5	"1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)"	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	LKJPYSCBVHEWIU-UHFFFAOYSA-N
DG00717	Cilostazol	2754	"Cilostazol; 73963-72-1; Pletal; Cilostazole; Pletaal; OPC-13013; Cilostazolum; Cilostazolum [INN-Latin]; OPC 13013; OPC 21; OPC-21; 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one; C20H27N5O2; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone; 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one; UNII-N7Z035406B; CHEBI:31401; 3,4-Dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-2(1H)-quinolinone; 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril; 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one; 6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one; MLS000028470; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone; MFCD00866780; N7Z035406B; NSC-758936; NCGC00015207-07; SMR000058428; DSSTox_CID_25132; DSSTox_RID_80693; DSSTox_GSID_45132; CAS-73963-72-1; Pletal (TN); SR-01000003107; BRN 3632107; Cilostazol,(S); Cilostazol-[d11]; Cilostazol [USAN:USP:INN:BAN:JAN]; Tocris-1692; Opera_ID_488; Spectrum2_001118; Spectrum3_001170; Spectrum4_000772; Spectrum5_001762; Lopac-C-0737; CHEMBL799; C 0737; Lopac0_000218; REGID_for_CID_2754; SCHEMBL16128; BSPBio_002759; KBioGR_001184; MLS000758281; MLS000759507; MLS001076067; MLS002153891; SPECTRUM1505230; SPBio_001256; Cilostazol (JP17/USP/INN); GTPL7148; DTXSID9045132; HSDB 8312; KBio3_002259; BCPP000279; HMS1922N15; HMS2093M14; HMS2096F16; HMS2234C06; HMS3260L17; HMS3268O09; HMS3412B18; HMS3654J13; HMS3676B18; HMS3713F16; Pharmakon1600-01505230; ACT02663; BCP03724; ZINC1552174; Tox21_110098; Tox21_500218; BDBM50225508; CCG-39646; NSC758936; s1294; AKOS015855512; Cilostazol, >=98% (HPLC), powder; OPC 13013; OPC 21; Pletaal; Tox21_110098_1; AC-4334; AM90304; BCP9000530; CS-1759; DB01166; KS-5154; LP00218; MCULE-8893820969; NSC 758936; SDCCGSBI-0050206.P003; 2(1H)-Quinolinone, 3,4-dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-; 2(1H)-Quionlinone, 6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-2(1H)-quinolinone; NCGC00015207-01; NCGC00015207-02; NCGC00015207-03; NCGC00015207-04; NCGC00015207-05; NCGC00015207-06; NCGC00015207-08; NCGC00015207-09; NCGC00015207-10; NCGC00015207-11; NCGC00015207-12; NCGC00015207-25; NCGC00022153-02; NCGC00022153-04; NCGC00022153-05; NCGC00022153-06; NCGC00022153-07; NCGC00260903-01; HY-17464; BCP0726000145; RETAL;PLETAL;OPC 21;PLETAAL;Cilostal; SBI-0050206.P002; EU-0100218; FT-0602474; FT-0645036; FT-0665038; SW199053-2; D01896; F20538; J90029; AB00382988-14; AB00382988_15; AB00382988_16; 963C721; A837982; Q258591; Q-200854; SR-01000003107-2; SR-01000003107-4; SR-01000003107-7; BRD-K67017579-001-04-2; BRD-K67017579-001-05-9; BRD-K67017579-001-07-5; BRD-K67017579-001-13-3; BRD-K67017579-001-17-4; SR-01000003107-10; Cilastatin sodium, Antibiotic for Culture Media Use Only; Cilostazol, United States Pharmacopeia (USP) Reference Standard; 6-[4-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril; 6-[4-(l-cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxyl]-3,4-dihydrocarbostyril; Cilostazol, Pharmaceutical Secondary Standard; Certified Reference Material; 2(1H)-Quinolinone, 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-; 6-(4-(1-CYCLOHEXYL-1H-TETRAZOL-5-YL)BUTOXY)QUINOLINE-2,3(1H,4H)-DIONE; 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-1H-quinolin-2-one; 89332-50-3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31401	DB01166	DR01322	DR0324	369.5	C20H27N5O2	81.9	485	3.1	27	1	5	7	"1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)"	C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4	RRGUKTPIGVIEKM-UHFFFAOYSA-N
DG00718	Cloperastine	2805	"Cloperastine; 3703-76-2; 1-(2-((4-chlorophenyl)(phenyl)methoxy)ethyl)piperidine; Cloperastine [INN]; 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine; HT-11; Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-; Cloperastine (hydrochloride); Cloperastine (INN); Cloperastina; Cloperastinum; Cloperastinum [INN-Latin]; Cloperastina [INN-Spanish]; NSC-758635; HT 11; EINECS 223-042-3; 1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine; BRN 0275589; 1-(2-((4-Chlorophenyl)phenylmethoxy)ethyl)piperidine; cloperastine-fendizoate; Spectrum_001570; Prestwick0_000793; Prestwick1_000793; Prestwick2_000793; Prestwick3_000793; Spectrum2_001596; Spectrum3_001895; Spectrum4_000844; Spectrum5_001448; BSPBio_000926; BSPBio_003430; KBioGR_001447; KBioSS_002050; 5-20-02-00105 (Beilstein Handbook Reference); DivK1c_000840; SCHEMBL284715; SPBio_001592; SPBio_002865; BPBio1_001020; CHEMBL415087; 1- 2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl piperidine; 1-{2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl}piperidine; DTXSID7048532; CHEBI:94448; KBio1_000840; KBio2_002050; KBio2_004618; KBio2_007186; KBio3_002933; NINDS_000840; Piperidine, 1-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)-; BDBM50237287; STK646871; AKOS005577799; DB09002; NSC 758635; IDI1_000840; NCGC00178069-01; NCGC00178069-02; NCGC00178069-03; M201; SBI-0051861.P002; AB00053681; FT-0746924; VU0244436-2; D03557; AB00053681_08; Q2055825; BRD-A80908310-003-05-4; BRD-A80908310-003-08-8; 1-[2-[(4-chlorophenyl)-phenyl-methoxy]ethyl]piperidine; 1-(2-[(4-Chlorophenyl)(phenyl)methoxy]ethyl)piperidine #; 1-(2-[(p-Chloro-.alpha.-phenylbenzyl)oxy]ethyl)piperidine; Piperidine, 1-(2-((p-chloro-.alpha.-phenylbenzyl)oxy)ethyl)-; Piperidine, 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)- (9CI); Piperidine, 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]-, hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94448	DB09002	.	.	329.9	C20H24ClNO	12.5	318	4.8	23	0	2	6	"1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2"	C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	FLNXBVJLPJNOSI-UHFFFAOYSA-N
DG00724	Dicyclomine	3042	"Dicyclomine; Dicycloverin; Dicycloverine; Bentyl; Bentylol; Diocyl; Wyovin; 77-19-0; Di-syntramine; Dicicloverina; Dicycloverinum; Merbentyl; Procyclomin; Bentomine; Mamiesan; Sawamin; Atumin; Dyspas; 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate; Oxityl-P; Diocyl hydrochloride; Wyovin hydrochloride; UNII-4KV4X8IF6V; Dicycloverin hydrochloride; [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester; (1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; 4KV4X8IF6V; CHEMBL1123; 2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate; 2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate; CHEBI:4514; (Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester; Bicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl ester; NCGC00015368-06; Diethylaminocarbethoxybicyclohexyl hydrochloride; Dicymine; Dicycloverinum [INN-Latin]; Dicicloverina [INN-Spanish]; DSSTox_CID_2926; DSSTox_RID_76790; DSSTox_GSID_22926; Bentyl hydrochloride; Bentylol; Dicyclomine; Dicycloverin; Dicycloverine; Bentylol hydrochloride; Dicycloverine [INN:BAN]; CAS-77-19-0; Dicymine (TN); Dicyclomine [INN]; Dicycloverine (INN); HSDB 3058; NSC-404381; EINECS 201-009-4; Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester; Byclomine; Kolantyl; [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester; Bis(cyclohexyl)carboxylic acid diethylaminoethyl ester hydrochloride; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate; Spectrum_000934; Prestwick0_000048; Prestwick1_000048; Prestwick2_000048; Prestwick3_000048; Spectrum2_000590; Spectrum3_000388; Spectrum4_000509; Spectrum5_000873; Lopac-D-7909; Dicycloverine (Dicyclomine); SCHEMBL3317; Lopac0_000432; BSPBio_000175; BSPBio_002175; GTPL355; KBioGR_001057; KBioSS_001414; DivK1c_000162; SPBio_000440; SPBio_002096; BPBio1_000193; DTXSID1022926; CURUTKGFNZGFSE-UHFFFAOYSA-; KBio1_000162; KBio2_001414; KBio2_003982; KBio2_006550; KBio3_001395; NINDS_000162; HMS3604H12; ZINC1530613; Tox21_113571; 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride; BDBM50010101; NSC404381; STL356799; [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride; AKOS022107181; Tox21_113571_1; CCG-204524; DB00804; MCULE-9110194493; SDCCGSBI-0050417.P005; CAS-67-92-5; IDI1_000162; NCGC00015368-01; NCGC00015368-02; NCGC00015368-03; NCGC00015368-04; NCGC00015368-05; NCGC00015368-07; NCGC00015368-08; NCGC00015368-11; NCGC00015368-17; NCGC00016300-01; NCGC00024386-03; NCGC00024386-04; SBI-0050417.P004; AB00053456; WLN: L6TJ A- AL6TJ AVO2N2&2 &GH; (Bicyclohexyl)-1-carboxylic acid, hydrochloride; C06951; D07820; [1, 2-(diethylamino)ethyl ester, hydrochloride; AB00053456_14; AB00053456_15; L000680; Q2662662; 2-diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate; BRD-K68507560-003-05-5; BRD-K68507560-003-15-4; .beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride; .beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride; 104959-55-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4514	DB00804	DR00767	DR2280	309.5	C19H35NO2	29.5	326	5.5	22	0	3	8	"1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3"	CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2	CURUTKGFNZGFSE-UHFFFAOYSA-N
DG00737	Fenofibrate	3339	"Fenofibrate; 49562-28-9; Procetofen; Lipantil; Tricor; Lipanthyl; Fenobrate; Lipidil; Secalip; Antara; Finofibrate; Lipoclar; Lipofene; Proctofene; Triglide; Fenogal; Lipirex; Sedufen; Elasterin; Fenoglide; Fenotard; Protolipan; Ankebin; Lipidex; Lipifen; Lipofen; Liposit; Lipsin; Nolipax; Fenofibratum [INN-Latin]; propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; Fenofibrato [INN-Spanish]; Lipantil (TN); Tricor (TN); LF-178; Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate; C20H21ClO4; Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropionate; 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid 1-methylethyl ester; NSC 281319; UNII-U202363UOS; Isopropyl (4'-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; FNF; Elasterate; Procetofene; Luxacor; MFCD00133314; CHEMBL672; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethyl ester; MLS000028515; CHEBI:5001; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; Lofibra; U202363UOS; Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 1-methylethyl ester; NSC-281319; NCGC00015437-10; Fenofibrato; Fenofibratum; Isopropyl 2-(p-(p-chlorobenzoyl)phenoxy)-2-methylpropionate; SMR000058299; Supralip; CAS-49562-28-9; DSSTox_CID_9874; propan-2-yl 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoate; DSSTox_RID_78828; DSSTox_GSID_29874; TRICOR (MICRONIZED); Antara (micronized); Fenomax; Isopropyl 2-[p-(p-chlorobenzoyl)phenoxy]-2-methylpropionate; Pharmavit; FENOFIBRATE (MICRONIZED); Fulcro; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid isopropyl ester; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionic Acid Isopropyl Ester; CIP-Fenofibrate; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methylethyl ester; LCP-FenoChol; LCP-Feno; Triglide (TN); Fenofibrate IDD-P; Lipofen (TN); Antara (TN); CCRIS 7282; SR-01000000091; EINECS 256-376-3; LF 178; BRN 2062462; Procetoken; Isopropyl 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionate; HSDB 7736; Fenofibrate,(S); GRS-027; Fenofibrate [USAN:USP:INN:BAN]; Prestwick_217; Fenofibrate micronized; Spectrum_001250; Opera_ID_328; Prestwick0_000275; Prestwick1_000275; Prestwick2_000275; Prestwick3_000275; Spectrum2_001390; Spectrum3_001431; Spectrum4_000413; Spectrum5_001479; Lopac-F-6020; Fenofibrate delayed release; EC 256-376-3; F 6020; SCHEMBL4670; Lopac0_000486; BSPBio_000150; BSPBio_003162; KBioGR_000706; KBioSS_001730; MLS001148191; MLS002548878; BIDD:GT0574; DivK1c_000557; Fenofibrate (JAN/USP/INN); SPECTRUM1501010; SPBio_001380; SPBio_002369; Fenofibrate, >=99%, powder; BPBio1_000166; Fenofibrate (Tricor, Trilipix); GTPL7186; DTXSID2029874; HMS501L19; KBio1_000557; KBio2_001730; KBio2_004298; KBio2_006866; KBio3_002382; NINDS_000557; HMS1568H12; HMS1921B17; HMS2090G20; HMS2092B05; HMS2095H12; HMS2231B14; HMS3259K03; HMS3261B13; HMS3369M13; HMS3649D20; HMS3655K12; HMS3712H12; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate; Pharmakon1600-01501010; ZINC584092; ALBB-028958; BCP21243; Tox21_110147; Tox21_300151; Tox21_500486; BDBM50085042; CCG-38996; NSC281319; NSC757822; s1794; AKOS005107777; Tox21_110147_1; AB03716; AC-4227; CS-0892; DB01039; LP00486; MCULE-9460650238; MS-2223; NC00452; NSC-757822; SDCCGSBI-0050470.P004; IDI1_000557; NCGC00015437-01; NCGC00015437-02; NCGC00015437-03; NCGC00015437-04; NCGC00015437-05; NCGC00015437-06; NCGC00015437-07; NCGC00015437-08; NCGC00015437-09; NCGC00015437-11; NCGC00015437-12; NCGC00015437-13; NCGC00015437-14; NCGC00015437-16; NCGC00015437-17; NCGC00015437-31; NCGC00021475-03; NCGC00021475-04; NCGC00021475-05; NCGC00021475-06; NCGC00021475-07; NCGC00021475-08; NCGC00253945-01; NCGC00261171-01; FENOFIBRATE (MICRONIZED) (fenofibrate; Fenofibrate, analytical reference material; HY-17356; SY052561; SBI-0050470.P003; DB-051642; AB00052196; EU-0100486; F0674; FT-0626400; FT-0654669; SW196525-4; C07586; D00565; J10318; AB00052196-15; AB00052196-16; AB00052196_17; AB00052196_18; 562F289; A827746; Q419724; Q-201111; SR-01000000091-2; SR-01000000091-5; SR-01000000091-6; SR-01000000091-8; BRD-K50388907-001-05-6; BRD-K50388907-001-18-9; BRD-K50388907-001-20-5; SR-01000000091-16; Z2768724415; Fenofibrate, European Pharmacopoeia (EP) Reference Standard; Isopropyl 2-(4-(4-chlorobenzoyl)-phenoxy)-2-methylpropanoate; 1-methylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate; 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoicacidisopropylester; Fenofibrate, United States Pharmacopeia (USP) Reference Standard; Isopropyl (4''-(p-chlorobenzoyl)-2-phenoxy-2-methyl)propionate; 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1-methyl-ethyl ester; Fenofibrate, Pharmaceutical Secondary Standard; Certified Reference Material; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate;Fenofibrate; Propanoic acid, 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-, 1-methylethylester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5001	DB01039	DR00415	DR0688	360.8	C20H21ClO4	52.6	458	5.2	25	0	4	7	"1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3"	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl	YMTINGFKWWXKFG-UHFFFAOYSA-N
DG00748	Ibudilast	3671	"Ibudilast; 50847-11-5; Ketas; KC-404; Ibudilastum; Ke Tas; Ibudilastum [Latin]; MN-166; Ibudilast [INN:JAN]; Eyevinal; AV-411; UNII-M0TTH61XC5; Ketas (TN); 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine; 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one; 1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one; 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine; Tocris-1694; Lopac-I-0157; 1-Propanone, 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-; 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine; AV411; MFCD00864808; M0TTH61XC5; CHEMBL19449; KC-404;AV-411;MN-166; NCGC00015542-05; 2-Methyl-1-[2-(Propan-2-Yl)pyrazolo[1,5-A]pyridin-3-Yl]propan-1-One; 1-Propanone, 2-methyl-1-(2-(1-methylethyl)pyrazolo(1,5-a)pyridin-3-yl)-; DSSTox_CID_28933; DSSTox_RID_83199; 2-isopropyl-3-isobutyrylpyrazolo[1,5-a]pyridine; DSSTox_GSID_49007; Ibudilast (JAN/INN); CAS-50847-11-5; SR-01000075927; AV 411; BRN 0656579; Pinatos; I0157_SIGMA; Ibudilast,(S); Pyrazolo(1,5-a)pyridine, 3-isobutyryl-2-isopropyl-; 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone; Ibudilast (JP17/INN); I 0157; Lopac0_000599; SCHEMBL30390; 5-24-03-00396 (Beilstein Handbook Reference); MLS000862198; GTPL7399; ZINC4234; DTXSID7049007; CHEBI:31684; BCPP000209; HMS2089B21; HMS2233H08; HMS3261H20; HMS3268O11; HMS3374P02; HMS3412B20; HMS3676B20; HMS3715L09; HMS3886M03; BCP02335; HY-B0763; Tox21_113503; Tox21_500599; BDBM50240404; s4837; Ibudilast, >=99% (HPLC), solid; 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone; AKOS015895123; Tox21_113503_1; AC-1044; BCP9000768; CCG-204688; DB05266; LP00599; SB19092; SDCCGSBI-0050581.P002; NCGC00015542-01; NCGC00015542-02; NCGC00015542-03; NCGC00015542-04; NCGC00015542-06; NCGC00015542-07; NCGC00015542-17; NCGC00025261-01; NCGC00025261-02; NCGC00025261-03; NCGC00025261-04; NCGC00261284-01; SMR000326961; SY051343; EU-0100599; FT-0654591; FT-0670255; I0740; D01385; F20666; AB00698306-06; 3-Isobutyryl-2-isopropyl-Pyrazolo(1,5-a)pyridine; 847I115; A828320; H-20256; L003042; Q261167; J-512714; SR-01000075927-1; SR-01000075927-3; SR-01000075927-6; BRD-K16444452-001-03-4; 1-(2-isopropylH-pyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one; 1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-Isopropyl-pyrazolo[1,5-alpha]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-isopropylpyrazolo[1,5-alpha]pyridin-3-yl)-2-methylpropan-1-one; 2-methyl-1-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1-propanone; 2-methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone; (Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3-yl)-2-methyl-propan-1-one; 1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (Ibudilast); AVL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31684	DB05266	.	.	230.31	C14H18N2O	34.4	288	3	17	0	2	3	"1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3"	CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C	ZJVFLBOZORBYFE-UHFFFAOYSA-N
DG00751	Idebenone	3686	"Idebenone; 58186-27-9; Idebenona; Idebenonum; CV 2619; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; CV-2619; Sovrima; UNII-HB6PN45W4J; BRN 2001459; CHEBI:31687; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone; 6-(10-Hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone; HB6PN45W4J; Raxone; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione; 5,6-DIMETHOXY-2-(10-HYDROXYDECYL)-3-METHYL-1,4-BENZOQUINONE; 2,5-Cyclohexadiene-1,4-dione, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-; MFCD00274552; NSC-759228; NCGC00160514-01; 2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzo-1,4-quinone; 2,5-Cyclohexadiene-1,4-dione, 5,6-dimethoxy-2-(10-hydroxydecyl)-3-methyl-; DSSTox_CID_20678; DSSTox_RID_79536; DSSTox_GSID_40678; Idebenonum [Latin]; Idebenona [Spanish]; hydroxydecyl ubiquinone; Idebenone [INN:JAN]; 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4-benzoquinone; SMR000466364; CAS-58186-27-9; SR-01000759378; Cerestabon; Catena; Mnesis; Avan; Oristar hdu; Idebenone- Bio-X; Raxone (TN); SNT-MC17; SCHEMBL28320; Idebenone (JAN/USAN/INN); MLS000759487; MLS001032035; MLS001424002; MLS006011882; Idebenone, analytical standard; CHEMBL252556; QSA-10; DTXSID0040678; Idebenone, >=98% (HPLC); FR114; HMS2051O06; HMS2089D08; HMS3393O06; HMS3656K22; HMS3713A10; HMS3884B12; Pharmakon1600-01505755; ALBB-027258; BCP09116; HY-N0303; STR09227; ZINC1542890; Tox21_111864; BBL025842; BDBM50505498; NSC759228; s2605; STK801942; AKOS005622577; Tox21_111864_1; AC-4337; CCG-100846; KS-5193; MCULE-6391829243; NC00096; NSC 759228; SB19130; NCGC00160514-02; NCGC00160514-03; BI164565; SY051193; SBI-0207024.P001; DB-053168; FT-0617205; I0848; SW219495-1; D01750; H10427; J10031; AB00639997-04; AB00639997-06; AB00639997_07; AB00639997_08; 186I279; A-68500; Q4197874; SR-01000759378-4; SR-01000759378-5; SR-01000759378-6; BRD-K37516142-001-01-4; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methylbenzoquinone; 2,3-Dimethoxy-6-(10-hydroxydecyl)-5-methyl-1,4benzoquinone; 2-(10-hydroxydecyl)-6-methoxy-3-methyl-5-(trideuteriomethoxy)cyclohexa-2,5-diene-1,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31687	DB09081	.	DR0853	338.4	C19H30O5	72.8	502	4.3	24	1	5	12	"1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3"	CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO	JGPMMRGNQUBGND-UHFFFAOYSA-N
DG00752	Ifosfamide	3690	"Ifosfamide; Isophosphamide; 3778-73-2; Iphosphamide; Isofosfamide; Ifosfamid; Mitoxana; Ifex; Iphosphamid; Isoendoxan; Naxamide; I-Phosphamide; Holoxan; Cyfos; Ifsofamide; Holoxan 1000; ASTA Z 4942; Ifosfamida; Ifosfamidum; MJF 9325; isosfamide; NCI-C01638; MJF-9325; NSC-109724; ifomide; Z4942; NSC 109724; A 4942; Z 4942; Z-4942; 2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide; C7H15Cl2N2O2P; NSC109724; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; N,3-Bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid diamide; 3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; CHEBI:5864; Ifosphamide; 1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide; 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxaazaphosphorin 2-oxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,2-oxazaphosphorineoxide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylene phosphoric acid ester diamide; NCGC00016639-01; CAS-3778-73-2; DSSTox_CID_760; Ifosfamide Sterile; DSSTox_RID_75775; DSSTox_GSID_20760; Ifosfamidum [INN-Latin]; Ifosfamida [INN-Spanish]; (R)-3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; CCRIS 352; HSDB 7023; SR-05000002022; EINECS 223-237-3; IFEX (TN); BRN 0611835; Ifosfamide (JAN/USP/INN); N,3-bis(2-chloroethyl)-2-oxo-1,3,2 ^{5}-oxazaphosphinan-2-amine; Ifosfamid A; (R)-Ifosfamide; (S)-Ifosfamide; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorineoxide; 2,3-(N,N(sup 1)-Bis(2-chloroethyl)diamido)-1,3,2-oxazaphosphoridinoxyd; Isophosphamide,(S); N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide; N,N-Bis(beta-chloroethyl)-amino-N',O-propylene-phosphoric acid ester diamide; N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid ester diamide; MFCD00057374; 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorine oxide; N-(2-Chloraethyl)-N'-(2-chloraethyl)-N',O-propylen-phosphorsaureester-diamid [German]; Ifosfamide - Bio-X; Ifosfamide [USAN:USP:INN:BAN:JAN]; starbld0001221; Ifosfamide, >=98%; Prestwick0_000833; Prestwick1_000833; Prestwick2_000833; Prestwick3_000833; Intermediate of Ifosfamide; N-(2-Chloraethyl)-N'-(2-chloraethyl)-N',O-propylen-phosphorsaureester-diamid; SCHEMBL4885; 2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide; CHEMBL1024; BSPBio_000785; MLS002154021; Ifex (TN) (Bristol Meyers); SPBio_002706; BPBio1_000865; GTPL7201; DTXSID7020760; (S)-3-(2-chloroethyl)-2-((2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide; BDBM189358; HMS1570H07; HMS2090M12; HMS2093N07; HMS2097H07; HMS2232O10; HMS3374B08; HMS3654B15; HMS3714H07; Pharmakon1600-01505480; {3-(2-Chloroethyl)-2-[(2-; BCP06596; WLN: T6NPOTJ AM2G BO B2G; Tox21_110539; Tox21_201815; Tox21_302775; BBL028071; N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine; N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine; NSC759154; s1302; STL058690; AKOS005711213; Tox21_110539_1; AB02316; AC-2113; CCG-213464; CS-1424; DB01181; MCULE-1480299331; NSC-759154; N-(2-Chloroethyl)-N-(3-(2-chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl)amine; Ifosfamide, analytical reference material; NCGC00179435-01; NCGC00179435-02; NCGC00179435-03; NCGC00179435-06; NCGC00179435-07; NCGC00256413-01; NCGC00259364-01; 2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide (8CI); AS-10978; BI166243; HY-17419; NCI60_000233; SMR001233348; SBI-0206804.P001; DB-049196; AB00513932; FT-0603650; FT-0670282; SW197177-4; C07047; D00343; J10093; AB00513932-06; AB00513932-07; AB00513932-08; AB00513932_09; AB00513932_10; 778I732; A823873; Q418560; Q-101874; SR-05000002022-1; SR-05000002022-3; SR-05000002022-5; BRD-A67097164-001-11-2; Ifosfamide, British Pharmacopoeia (BP) Reference Standard; Ifosfamide, European Pharmacopoeia (EP) Reference Standard; UNII-UM20QQM95Y component HOMGKSMUEGBAAB-AWEZNQCLSA-N; Ifosfamide, United States Pharmacopeia (USP) Reference Standard; 2,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxy-; 2,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxyd; N,3-bis(2-chloroethyl)-2-oxo-1,3,2$l;{5}-oxazaphosphinan-2-amine; {3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,} 2-oxazaphosphorine oxide; 1,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide; 2H-1,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide; 2H-1,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide; 3-(2-Chloroethyl)-2-(2-chloroethylamino)tetrahydro-2H-1,3,2-oxazaphosphorin-2-one; 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one; 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2lambda5-oxazaphosphinan-2-one; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,2-oxazaphosphorine oxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,2-oxazaphosphorineoxide; 3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,2-oxazaphosphorine 2-oxide; N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphinan-2-amine 2-oxide #"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5864	DB01181	.	DR0855	261.079	C7H15Cl2N2O2P	41.6	218	0.9	14	1	4	5	"1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)"	C1CN(P(=O)(OC1)NCCCl)CCCl	HOMGKSMUEGBAAB-UHFFFAOYSA-N
DG00761	Ketoprofen	3825	"Ketoprofen; 22071-15-4; 2-(3-Benzoylphenyl)propanoic acid; 2-(3-Benzoylphenyl)propionic acid; Orudis; m-Benzoylhydratropic acid; Capisten; Ketoprofene; Profenid; Oruvail; Actron; 3-Benzoylhydratropic acid; Alrheumun; Aneol; Epatec; Orudis (TN); Iso-K; Ketoprofeno; RP-19583; Ketoprophene; 2-[3-(phenylcarbonyl)phenyl]propanoic acid; 2-(m-Benzoylphenyl)propionic acid; Racemic ketoprofen; 3-BENZOYL-ALPHA-METHYLBENZENEACETIC ACID; RU 4733; Ketoprofen (Actron); CHEBI:6128; Benzeneacetic acid, 3-benzoyl-.alpha.-methyl-; Alrheumat; CHEMBL571; Propionic acid, 2-(3-benzoylphenyl)-; (S)-Ketoprofen;Dexketoprofen; 19583 RP; L'Acide (benzoyl-3-phenyl)-2-propionique; MLS000079024; Orudis KT; MFCD00055790; NSC-758144; Kefenid; Ketopron; Menamin; Meprofen; Orugesic; Oscorel; SMR000040181; Fastum; Lertus; Toprec; Toprek; Dexal; DSSTox_CID_771; R.P. 19,583; racemic-Ketoprofen; DSSTox_RID_75783; DSSTox_GSID_20771; 1189508-77-7; Ketoprofenum; RP 19583; Ketoprofene [INN-French]; Ketoprofenum [INN-Latin]; Ketoprofeno [INN-Spanish]; Ketoprofen (+-); (+-)-m-Benzoylhydratropic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-; SR-01000075949; Ketorin; rac Ketoprofen; CCRIS 4508; Actron ketoprofen; (rs)-ketoprofen; (+-)-3-Benzoyl-alpha-methylbenzeneacetic acid; (+) ketoprofen; NCGC00016757-01; Ketoprofen ,(S); Acide (benzoyl-3-phenyl)-2-propionique [French]; Prestwick_617; EINECS 244-759-8; 2-[3-(benzoyl)phenyl]propanoic acid; CAS-22071-15-4; Ketoprofen-13C-D3; 2-(3-benzoylphenyl)-propionic acid; Hydratropic acid, m-benzoyl-, (+-)-; Acide (benzoyl-3-phenyl)-2-propionique; Spectrum_001309; Opera_ID_509; Prestwick0_000219; Prestwick1_000219; Prestwick2_000219; Prestwick3_000219; Spectrum2_000956; Spectrum3_001479; Spectrum4_000028; Spectrum5_001254; m-benzoyl-hydratropic acid; Epitope ID:131783; K 1751; SCHEMBL2896; Lopac0_000686; Oprea1_117113; BSPBio_000237; BSPBio_003037; Hydratropic acid, m-benzoyl-; KBioGR_000435; KBioSS_001789; MLS000028446; MLS001201752; MLS001306444; MLS002548889; MLS006011967; BIDD:GT0443; DivK1c_000598; SPECTRUM1501215; SPBio_000952; SPBio_002158; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+-)-; BPBio1_000261; GTPL4795; IDEA-033; Ketoprofen (JP17/USP/INN); Ketoprofen, >=98% (TLC); DTXSID6020771; DKYWVDODHFEZIM-UHFFFAOYSA-; HMS501N20; KBio1_000598; KBio2_001789; KBio2_004357; KBio2_006925; KBio3_002537; (+/-)-m-Benzoylhydratropic acid; NINDS_000598; HMS1568L19; HMS1921B12; HMS2089B16; HMS2092L19; HMS2095L19; HMS2234H16; HMS3259I05; HMS3262I13; HMS3372M08; HMS3373G09; HMS3649N10; HMS3655C15; HMS3712L19; HMS3884K04; Pharmakon1600-01501215; BCP23428; HY-B0227; 2-(3'-benzoylphenyl)propionic acid; 2-(3-benzoylphenyl) propionic acid; alpha(3-benzoylphenyl)propionic acid; Tox21_110594; Tox21_200847; Tox21_500686; (.+/-.)-m-Benzoylhydratropic acid; 2-(3-benzoylphenyl) propionoic acid; alpha-(m-benzoylphenyl)propionic acid; BDBM50022271; CCG-39685; NSC758144; s1645; STL450995; (R)-(-)-Ketoprofen-[13C,d3]; 2-(3-Benzoylphenyl)propanoic acid #; alpha-(3-benzoylphenyl)propionic acid; AKOS007930512; alpha-(m-benzoylphenyl) propionic acid; Tox21_110594_1; 19583RP; AC-1486; BCP9000810; DB01009; Ketoprofen [USAN:USP:INN:BAN:JAN]; KS-5031; LP00686; MCULE-9740144074; NC00459; NSC 758144; RU-4733; SDCCGSBI-0050664.P004; IDI1_000598; (rs)-2-(3-benzoylphenyl)propanoic acid; NCGC00015578-02; NCGC00015578-03; NCGC00015578-04; NCGC00015578-05; NCGC00015578-07; NCGC00015578-08; NCGC00015578-10; NCGC00015578-12; NCGC00015578-23; NCGC00094043-01; NCGC00094043-02; NCGC00094043-03; NCGC00094043-04; NCGC00258401-01; NCGC00261371-01; BK166172; Ketoprofen 100 microg/mL in Acetonitrile; ((c)I)-Ketoprofen-d4(propionic-d4 acid); 3-Benzoyl-.alpha.-methylbenzeneacetic acid; BCP0726000302; SBI-0050664.P003; (+/-)-2-(3-Benzoylphenyl)propionic acid; L''Acide (benzoyl-3-phenyl)-2-propionique; UNM-0000306100; AB00052249; AM20060549; EU-0100686; FT-0602834; FT-0670646; FT-0670647; K0038; Ketoprofen, meets USP testing specifications; Orudis, Profenid, Dexal, Keduril, Ketofen,; R.P. 19583; SW196784-3; BIM-0050664.0001; C01716; D00132; D78110; Ketoprofen, VETRANAL(TM), analytical standard; AB00052249-17; AB00052249-19; AB00052249-20; AB00052249_21; AB00052249_22; 071K154; A815896; Q409192; Q-201268; SR-01000075949-1; SR-01000075949-6; SR-01000075949-9; (.+/-.)-3-Benzoyl-.alpha.-methylbenzeneacetic acid; Benzeneacetic acid, 3-benzoyl-alpha-methyl-, (+/-); BRD-A97739905-001-05-9; BRD-A97739905-001-15-8; SR-01000075949-18; F2173-0960; Z1695709452; Ketoprofen, British Pharmacopoeia (BP) Reference Standard; Ketoprofen, European Pharmacopoeia (EP) Reference Standard; Ketoprofen, United States Pharmacopeia (USP) Reference Standard; N-FMOC-3-AMINO-4-(4-TERT-BUTOXY-PHENYL)-BUTYRICACID; Ketoprofen, Pharmaceutical Secondary Standard; Certified Reference Material; 154907-35-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6128	DB01009	DR00690	DR0907	254.28	C16H14O3	54.4	331	3.1	19	1	3	4	"1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)"	CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O	DKYWVDODHFEZIM-UHFFFAOYSA-N
DG00762	Ketorolac	3826	"Ketorolac; 74103-06-3; 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; Ketorolaco; Ketorolacum [Latin]; Ketorolaco [Spanish]; Ketoralac; Ketorolacum; Macril; (+-)-Ketorolac; 66635-83-4; Acular; rac-ketorolac; RS 37619; (+)-Ketorolac; Toradol (TN); (+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; CHEBI:76223; Acuvail; MFCD00864281; RS37619; 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-; 5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; Ketorolac [INN:BAN]; SPRIX; RS-37619; Ketorolac (INN); rac Ketorolac-[d4]; 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-; NCGC00185990-01; CHEMBL469; SCHEMBL14891; MLS006011844; CHEBI:6129; GTPL6661; DTXSID8023189; BDBM85511; HMS3604J05; HMS3884M04; HY-B0580; AC-545; HTS001246; s1646; STL018674; AKOS005657203; AC-1121; CCG-204762; DB00465; KS-5175; SDCCGSBI-0050655.P004; NCGC00185990-02; NCGC00185990-05; NCGC00185990-15; K262; SMR001550090; SY107530; SBI-0050655.P003; CAS_74103-07-4; DB-011403; AB00053682; FT-0653523; FT-0670664; FT-0670665; FT-0670666; C07062; D08104; F16555; J10261; AB00053682-12; AB00053682-14; AB00053682_15; AB00053682_16; 635K834; A934549; Q2014797; BRD-A40639672-234-05-7; BRD-A40639672-234-09-9; KETOROLAC, ketorolactromethamine, Ketorolac Tromethamine; 5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid #; rac-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; (1RS)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; (.+/-.)-2,3-Dihydro-5-benzoyl-1H-pyrrolizine-1-carboxylic acid; (.+/-.)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; 5-benzoyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid; 1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (.+/-.)-; 5-BENZOYL-2,3-DIHYDRO-1H-PYRROLO[1,2-A]PYRROLE-1-CARBOXYLIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:76223	DB00465	.	DR0908	255.27	C15H13NO3	59.3	376	1.9	19	1	3	3	"1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)"	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	OZWKMVRBQXNZKK-UHFFFAOYSA-N
DG00767	Maprotiline	4011	"Maprotiline; 10262-69-8; Maprotylina [Polish]; Maprotylina; Maprotilinum [INN-Latin]; Maprotilina [INN-Spanish]; 276-Ba; UNII-2U1W68TROF; N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine; 9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-; CHEBI:6690; 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)propylmethylamine; 3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)-N-methylpropan-1-amine; 2U1W68TROF; BA-34276; 9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-; N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine; NCGC00015708-04; Maprotilina; Maprotilinum; BA-34,276 [AS HYDROCHLORIDE]; 3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine; DSSTox_CID_25029; DSSTox_RID_80649; DSSTox_GSID_45029; N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine;N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine; CAS-10262-69-8; Maprotiline (USAN); EINECS 233-599-4; CAS-10347-81-6; BRN 2385493; Maprotiline [USAN:INN:BAN]; N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine; Spectrum_000887; Tocris-0935; Prestwick0_000346; Prestwick1_000346; Prestwick2_000346; Prestwick3_000346; Spectrum2_000139; Spectrum3_000483; Spectrum4_000035; Spectrum5_000918; Lopac-M-9651; C07107; Lopac0_000812; SCHEMBL33993; BSPBio_000411; BSPBio_001945; KBioGR_000469; KBioSS_001367; MLS001201766; CHEMBL21731; DivK1c_000891; SCHEMBL121015; SPBio_000218; SPBio_002332; BPBio1_000453; GTPL2402; CHEMBL1201257; DTXSID7045029; SCHEMBL21994200; BA-34276 FREE BASE; KBio1_000891; KBio2_001367; KBio2_003935; KBio2_006503; KBio3_001445; BA-34276 [As Hydrochloride]; NINDS_000891; BA-34,276 FREE BASE; HMS2089K11; HMS2962E12; ZINC1530688; Tox21_110200; 0643AA; AR-111; BBL010079; BDBM50101973; BDBM50378025; STK711156; AKOS005530670; Tox21_110200_1; CCG-204896; DB00934; SDCCGSBI-0050789.P005; IDI1_000891; SMP1_000169; NCGC00015708-01; NCGC00015708-02; NCGC00015708-03; NCGC00015708-05; NCGC00015708-06; NCGC00015708-07; NCGC00015708-08; NCGC00015708-09; NCGC00015708-10; NCGC00015708-11; NCGC00015708-12; NCGC00015708-13; NCGC00015708-15; NCGC00015708-17; NCGC00015708-19; NCGC00015708-25; NCGC00016691-01; NCGC00018217-01; NCGC00024886-01; NCGC00024886-02; NCGC00024886-03; AC-12507; SMR000641863; SBI-0050789.P003; AB00514665; D02566; AB00053679-33; AB00053679_34; AB00053679_35; AB01275432-01; 262M698; L001173; Q418361; J-000745; BRD-K03319035-001-01-3; BRD-K03319035-003-02-7; BRD-K25433859-003-11-4; BRD-K25433859-003-14-8; methyl(3-{tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9(14),10,12-hexaen-1-yl}propyl)amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6690	DB00934	DR00515	.	277.4	C20H23N	12	339	4.6	21	1	1	4	"1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3"	CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	QSLMDECMDJKHMQ-UHFFFAOYSA-N
DG00770	Meclizine	4034	"Meclizine; Meclozine; 569-65-3; Parachloramine; Chiclida; Bonine; Sea-Legs; Histamethine; Histamethizine; Histametizine; Histametizyne; Bonadettes; Calmonal; Itinerol; Monamine; Navicalm; Peremesin; Postafene; Suprimal; Travelon; Vomisseis; Ancolan; Ravelon; Sabari; Siguran; Marex; Neo-istafene; Neo-suprimal; Neo-suprimel; Antivert; Vomissels; Ancolon; 1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine; Meclizine hydrochloride; UCB 5062; Bonamine; Diadril; UCB 170; U.C.B. 5062; 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; Postafen; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)diethylenediamine; NSC 169189; UCB 5052; Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-; U. C. B. 5062; CHEBI:6709; (+-)-Meclizine; Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-; Dramamine II; Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-; 1-(p-Chlorobenzhydryl)-4-(m-methylbenzyl)piperazine; NSC-169189; Meclozina; Meclozinum; Subari; 1-(p-Chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)piperazine; Piperazine,1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-; Meclizine [INN:BAN]; Meclozinum [INN-Latin]; Meclozina [INN-Spanish]; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine; Piperazine, 1-(p-chloro-.alpha.-phenylbenzyl)-4-(m-methylbenzyl)-; Nevidoxine (TN); Meclozine (BAN); Meclozine [INN]; HSDB 3113; EINECS 209-323-3; 1-p-Chlorobenzhydryl-4-m-methylbenzylpiperazine; BRN 0332002; Meclozin; 1-(p-Chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)piperazine; 1-((4-Chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)piperazine; Diadril (Salt/Mix); Bonamine (Salt/Mix); Bonadoxin (Salt/Mix); Vertizine (Salt/Mix); Spectrum_000891; (.+/-.)-Meclizine; Prestwick0_000457; Prestwick1_000457; Prestwick2_000457; Prestwick3_000457; Spectrum2_000110; Spectrum3_000485; Spectrum4_000037; Spectrum5_000919; SCHEMBL4649; CHEMBL1623; BSPBio_000534; BSPBio_001949; KBioGR_000473; KBioSS_001371; 4-Methyl-2-chloroacetophenone; DivK1c_000407; SPBio_000100; SPBio_002473; BPBio1_000588; GTPL2757; DTXSID0023242; BDBM81467; KBio1_000407; KBio2_001371; KBio2_003939; KBio2_006507; KBio3_001449; NINDS_000407; Meclizine;Meclozine; Parachloramine; BCP28339; NSC_4034; MFCD00242697; NSC169189; AKOS015951354; DB00737; MCULE-7463916552; IDI1_000407; NCGC00018296-02; NCGC00018296-04; NCGC00018296-08; BS-17628; CAS_569-65-3; SBI-0051433.P003; WLN: T6N DNTJ AYR&R DG& D1R C1; AB00053493; FT-0659103; EN300-58334; C07116; D08163; D81963; AB00053493_14; AB00053493_15; L001136; Q386441; BRD-A50311610-300-05-4; BRD-A50311610-300-06-2; Z53003552; 1-[(4-Chlorophenyl)(phenyl)methyl]-4-(3-methylbenzyl)piperazine #"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00737	DR00977	DR1006	390.9	C25H27ClN2	6.5	448	5.8	28	0	2	5	"1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3"	CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl	OCJYIGYOJCODJL-UHFFFAOYSA-N
DG00777	Moclobemide	4235	"Moclobemide; 71320-77-9; Aurorix; Moclobemid; Manerix; Moclamine; 4-chloro-N-(2-morpholinoethyl)benzamide; Moclaime; Moclobemidum; Moclamide; Moclobemida; Moclobemidum [INN-Latin]; Moclobemida [INN-Spanish]; p-Chloro-N-(2-morpholinoethyl)benzamide; 4-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide; 4-Chlor-N-(2-morpholinoethyl)benzamid; 4-chloro-N-(2-morpholin-4-ylethyl)benzamide; 4-Chloro-N-(2-(4-morpholinyl)ethyl)benzamide; Ro 11-1163; 4-Chloro-N-(2-morpholin-4-yl-ethyl)-benzamide; Moclobemide (Ro 111163); GNF-PF-695; 4-chloro-N-[2-(4-morpholinyl)ethyl]benzamide; UNII-PJ0Y7AZB63; Ro 11-1163/000; Ro111163; BENZAMIDE, 4-CHLORO-N-(2-(4-MORPHOLINYL)ETHYL)-; Benzamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-; PJ0Y7AZB63; CHEMBL86304; MLS000070549; CHEBI:83531; MFCD00865388; NCGC00027930-02; NCGC00027930-04; SMR000012114; DSSTox_CID_20554; DSSTox_RID_79506; DSSTox_GSID_40554; Moclobemide [USAN:BAN:INN]; Moclobemide [USAN:INN:BAN]; Auromid; Aurorix (TN); CAS-71320-77-9; Ro-11-1163; HSDB 7180; SR-01000357772; CBMicro_048319; Moclobemide (USAN/INN); BRN 0530974; Moclobemide- Bio-X; Moclamine (Salt/Mix); Opera_ID_225; Oprea1_256739; Oprea1_270122; SCHEMBL49708; MLS000759438; MLS001240195; MLS001424077; GTPL7428; BENZAMIDE,4-CHLORO-N-[2-(4-MORPHOLINYL)ETHYL]-; DTXSID9040554; BDBM15613; AOB5012; HMS2051A16; HMS2096G07; HMS2232B20; HMS3262F09; HMS3371A01; HMS3393A16; HMS3657K05; HMS3713G07; HMS3885A15; AMY32534; BCP15783; HY-B0534; Moclobemide 1.0 mg/ml in Methanol; Tox21_110971; Tox21_113614; Tox21_500824; s3212; STK222240; ZINC19606670; AKOS003270184; Moclobemide, >=98% (HPLC), solid; Tox21_110971_1; CCG-100879; DB01171; LP00824; MCULE-5300106938; NC00129; SDCCGSBI-0048213.P003; NCGC00027930-03; NCGC00027930-05; NCGC00027930-07; NCGC00027930-16; NCGC00261509-01; AC-12467; BM164599; H223; p-chloro-N-(2-morpholinoethyl)-benzamide; BIM-0048213.P001; Ro-111163000; FT-0618228; M2733; SW197509-3; Ro-11-1163/000; D02561; AB00400932_12; 320M779; A837152; Q421934; 4-chloro-N-(2-morpholinoethyl)benzamide;Moclobemide; SR-01000357772-1; SR-01000357772-4; Z32409934; Ro11-1163; Ro 11-1163; Ro111163; Ro-111163; Ro 111163; 108375-13-9; MCL"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:83531	DB01171	DR00838	DR1103	268.74	C13H17ClN2O2	41.6	262	1.5	18	1	3	4	"1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)"	C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl	YHXISWVBGDMDLQ-UHFFFAOYSA-N
DG00788	Oxamniquine	4612	"Oxamniquine; 21738-42-1; Mansil; Vansil; Oxaminiquine; Oxamniquinum; UK 4271; UK-4271; UK 4261; NSC 352888; UNII-00BCY677OT; UNII-7GIJ138H3K; [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol; MLS000756891; 00BCY677OT; 7GIJ138H3K; CHEBI:78416; 1,2,3,4-Tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-6-quinolinemethanol; 1,2,3,4-Tetrahydro-2-((isopropylamino)methyl)-7-nitro-6-quinolinemethanol; 2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydro-6-quinolinemethanol; 6-Hydroxymethyl-2-isopropylaminomethyl-7-nitro-1,2,3,4-tetrahydroquinoline; NSC352888; NSC-352888; {2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-((isopropylamino)methyl)-7-nitro-; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-; Oxamniquina; Oxamniquinum [INN-Latin]; Oxamniquina [INN-Spanish]; Mansil (TN); Vansil (TN); Oxamniquine (USAN/INN); CCRIS 4113; HSDB 6510; (2-((Isopropylamino)methyl)-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol; [2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl]methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-; (+)-Oxamniquine; NCGC00016755-01; EINECS 244-556-4; (+-)-Oxamniquine; CAS-21738-42-1; Oxamniquine, (+)-; Oxamniquine, (-)-; BRN 0485597; Prestwick0_001026; Prestwick1_001026; Prestwick2_001026; DSSTox_CID_3398; CHEMBL847; DSSTox_RID_77013; DSSTox_GSID_23398; SCHEMBL44921; SPBio_003072; DTXSID3023398; HMS1571M13; HMS2230H11; HMS3371N13; Oxamniquine [USAN:USP:INN:BAN]; Tox21_110593; 2-(Isopropylaminomethyl)-7-nitro-1,2,3,4-tetrahydroquinoline-6-methanol; DB01096; UK-4261; (2-{[(1-methylethyl)amino]methyl}-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol; (7-nitro-2-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydroquinolin-6-yl)methanol; HY-10416; SMR000528982; CS-0002596; C07341; D00460; 5-22-11-00475 (Beilstein Handbook Reference); Q682497; SR-01000765728; SR-01000765728-2; 1,3,4-Tetrahydro-2-[(isopropylamino)methyl]-7-nitro-6-quinolinemethanol; 2-(Isopropylaminomethyl)-7-nitro-1,3,4-tetrahydroquinoline-6-methanol; 6-Quinolinemethanol,2,3,4-tetrahydro-2-[(isopropylamino)methyl]-7-nitro-; (2-[(Isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-quinolinyl)methanol #; {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydro-6-quinolinyl}methanol; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-, (+)-; 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-, (-)-; 6-Quinolinemethanol,2,3,4-tetrahydro-2-[[(1-methylethyl)amino]methyl]-7-nitro-; 119678-90-9; 40247-39-0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:78416	DB01096	.	DR1211	279.33	C14H21N3O3	90.1	332	2.2	20	3	5	4	"1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3"	CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO	XCGYUJZMCCFSRP-UHFFFAOYSA-N
DG00789	Pamidronate	4674	"PAMIDRONIC ACID; pamidronate; 40391-99-9; Aredia; Amidronate; Aminomux; (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid; Acide pamidronique [INN-French]; Acido pamidronico [INN-Spanish]; Acidum pamidronicum [INN-Latin]; PAMIDRONATE DISODIUM; (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid); Disodium pamidronate; UNII-OYY3447OMC; (3-Amino-1-hydroxypropylidene)diphosphonic acid; CHEMBL834; OYY3447OMC; Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-; (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID; 3-amino-1-hydroxypropane-1,1-diphosphonic acid; CGP-23339AE; NCGC00159433-02; DSSTox_CID_3414; Acido pamidronico; Acide pamidronique; Acidum pamidronicum; DSSTox_RID_77017; DSSTox_GSID_23414; 1159812-33-5; (3-Amino-1-hydroxypropane-1,1-diyl)diphosphonic acid; Pamidronic acid [INN:BAN]; Ribodroat; 57248-88-1; Bisphosphonate 6; Ribodroat (TN); CAS-40391-99-9; (3-Amino-1-hydroxypropylidene)bisphosphonic acid; C3H11NO7P2; Pamidronic acid (INN); EINECS 254-905-2; starbld0044121; ChemDiv1_025240; 3-Amino-1-hydroxypropylidene-1,1-diphosphonate; SCHEMBL18361; BIDD:GT0538; CHEBI:7903; GTPL7259; JMC515594 Compound 62; DTXSID4023414; BDBM12581; HMS658L06; HMS2090C13; HMS3749A11; BCP17709; CCG-2075; HY-B0012; ZINC3812862; Tox21_111664; 2631AH; HSCI1_000312; MFCD00168777; s2063; STL510914; AKOS003599275; Tox21_111664_1; CS-7787; DB00282; MCULE-4373491291; NCGC00159433-03; NCGC00165862-02; DB-049579; FT-0630610; C07395; C75045; D07281; 391P999; A825084; Propane-1-hydroxy-3-amino-1,1-diphosphonic acid; Q627499; SR-01000514873; 3-amino-1-hydroxypropane-1,1-diyldiphosphonic acid; SR-01000514873-1; (3-Amino-1-hydroxy-1-phosphono-propyl)-phosphonic acid; Phosphonic acid, P,P'-(3-amino-1-hydroxypropylidene)bis-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7903	.	.	.	235.07	C3H11NO7P2	161	243	-6.9	13	6	8	4	"1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)"	C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	WRUUGTRCQOWXEG-UHFFFAOYSA-N
DG00795	Perphenazine	4748	"Perphenazine; 58-39-9; Trilafon; Perphenazin; Etaperazine; Perfenazine; Ethaperazine; Etaperazin; Fentazin; Chlorpiprazine; Perphenan; Thilatazin; Decentan; Chlorperphenazine; Emesinal; Perfenazina; Tranquisan; Trifaron; Trilifan; Triphenot; F-mon; Perphenazinum; 2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol; Sch 3940; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; C21H26ClN3OS; 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol; UNII-FTA7XXY4EZ; PZC; gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine; NSC 150866; 4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol; 4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol; 1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine; 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol; FTA7XXY4EZ; MFCD00056798; CHEMBL567; 2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine; 2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol; 2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine; 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine; MLS000069637; CHEBI:8028; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina; 1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-; 1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-; 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol; NSC150866; NSC-150866; CAS-58-39-9; NCGC00015826-02; Perfenil; SMR000058180; Perfenazina [Italian]; 1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-; 1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine; DSSTox_CID_3441; DSSTox_RID_77031; DSSTox_GSID_23441; Perfenazina [INN-Spanish]; Perphenazinum [INN-Latin]; 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-; 2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine; Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-; HSDB 3379; SR-01000000137; EINECS 200-381-5; AI3-50151; Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-; .gamma.-(4-(.beta.-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine; .gamma.-[4-(.beta.-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine; 2-(4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethan-1-ol; Perphenazine [USP:INN:BAN:JAN]; 2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine; SCH-3940; Prestwick_536; 1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]; Etrafon (Salt/Mix); Spectrum_001610; 130-69-8; Opera_ID_1161; Prestwick0_000125; Prestwick1_000125; Prestwick2_000125; Prestwick3_000125; Spectrum2_001602; Spectrum3_000758; Spectrum4_000843; Spectrum5_001493; Lopac-P-6402; P 6402; Lopac0_000930; Oprea1_603835; REGID_for_CID_4748; SCHEMBL42125; BSPBio_000170; BSPBio_002376; GTPL209; KBioGR_001445; KBioSS_002090; MLS001146929; MLS002548897; 5,7-EICOSADIYNOICACID; BIDD:GT0150; DivK1c_000880; SPECTRUM1503934; SPBio_001603; SPBio_002109; BPBio1_000188; DTXSID1023441; component of Triavil (Salt/Mix); HMS502L22; KBio1_000880; KBio2_002090; KBio2_004658; KBio2_007226; KBio3_001596; Perphenazine (JP17/USP/INN); AOB5376; NINDS_000880; HMS1568I12; HMS1922M14; HMS2093M15; HMS2095I12; HMS2232D21; HMS3259C09; HMS3262J22; HMS3370O14; HMS3712I12; HMS3885H20; Pharmakon1600-01503934; HY-A0077; Perphenazine 1.0 mg/ml in Methanol; Tox21_110233; Tox21_500930; 1-Piperazineethanol, trihydrochloride; BDBM50130273; CCG-39060; NSC758649; s4731; STK019818; ZINC19228902; AKOS000664046; Tox21_110233_1; CS-5137; DB00850; KS-5105; LP00930; MCULE-6019566915; NC00472; NSC-758649; SDCCGSBI-0050904.P004; IDI1_000880; MRF-0000509; NCGC00015826-01; NCGC00015826-03; NCGC00015826-04; NCGC00015826-05; NCGC00015826-06; NCGC00015826-07; NCGC00015826-08; NCGC00015826-09; NCGC00015826-10; NCGC00015826-13; NCGC00015826-20; NCGC00024092-03; NCGC00024092-04; NCGC00024092-05; NCGC00024092-06; NCGC00261615-01; AC-12196; SBI-0050904.P003; DB-053200; AB00052390; EU-0072164; EU-0100930; FT-0603244; P1970; C07427; D00503; D82041; J10210; AB00052390_17; A831863; L000919; Q423520; SR-01000000137-2; SR-01000000137-4; SR-01000000137-5; SR-01000000137-8; W-105390; BRD-K10995081-001-05-5; BRD-K10995081-001-15-4; WLN: T C666 BN ISJ EG B3- AT6N DNTJ D2Q; Z1945707494; Perphenazine, British Pharmacopoeia (BP) Reference Standard; Perphenazine, European Pharmacopoeia (EP) Reference Standard; Perphenazine, United States Pharmacopeia (USP) Reference Standard; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]-piperazin-1-yl]ethanol; 2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol #; Perphenazine for system suitability, European Pharmacopoeia (EP) Reference Standard; 2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine / 4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8028	DB00850	DR00759	DR1264	404	C21H26ClN3OS	55.2	463	4.2	27	1	5	6	"1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2"	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	RGCVKNLCSQQDEP-UHFFFAOYSA-N
DG00799	Procainamide	4913	"PROCAINAMIDE; 51-06-9; Novocainamide; Biocoryl; Novocamid; 4-Amino-N-[2-(diethylamino)ethyl]benzamide; Procaine amide; Pronestyl; Novocainamid; Procamide; 4-amino-N-(2-diethylaminoethyl)benzamide; Novocaine amide; Procainamida; Procainamidum; Procan; Procapan (free base); p-Aminobenzoic diethylaminoethylamide; p-Amino-N-(2-diethylaminoethyl)benzamide; Pronestyl-Sr; 4-Amino-N-(2-(diethylamino)ethyl)benzamide; UNII-L39WTC366D; NSC 27461; CHEBI:8428; 2-Diethylaminoethylamid kyseliny p-aminobenzoove; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-; Benzamide, 4-amino-N-[2-(diethylamino)ethyl]-; L39WTC366D; Benzamide, p-amino-N-(2-(diethylamino)ethyl)-; Benzamide, p-amino-N-[2-(diethylamino)ethyl]-; NSC-27461; NCGC00015859-07; Rhythmin; DSSTox_CID_3512; Procanbid; SP 100; SP 100 (pharmaceutical); DSSTox_RID_77059; DSSTox_GSID_23512; Procainamide [INN:BAN]; Procainamidum [INN-Latin]; Procainamida [INN-Spanish]; CAS-51-06-9; Procainamide (INN); HSDB 3170; CAS-614-39-1; EINECS 200-078-8; BRN 2214285; 2-Diethylaminoethylamid kyseliny p-aminobenzoove [Czech]; Spectrum_000836; Maybridge1_004389; Prestwick0_000337; Prestwick1_000337; Prestwick2_000337; Prestwick3_000337; Spectrum2_001295; Spectrum3_000555; Spectrum4_000487; Spectrum5_000986; Lopac-P-9391; CHEMBL640; Epitope ID:135397; Sp 100 (pharmaceutical); Cambridge id 5144127; Lopac0_000995; SCHEMBL15914; BSPBio_000373; BSPBio_001463; BSPBio_002229; CBDivE_003757; KBioGR_000183; KBioGR_000973; KBioSS_000183; KBioSS_001316; 4-14-00-01154 (Beilstein Handbook Reference); cid_66068; BIDD:GT0579; DivK1c_000931; SPBio_001329; SPBio_002294; WLN: ZR DVM2N2&2; BPBio1_000411; GTPL4811; DTXSID7023512; BDBM39344; HMS553P13; HY-A0084A; KBio1_000931; KBio2_000183; KBio2_001316; KBio2_002751; KBio2_003884; KBio2_005319; KBio2_006452; KBio3_000365; KBio3_000366; KBio3_001729; NINDS_000931; Bio1_000391; Bio1_000880; Bio1_001369; Bio2_000183; Bio2_000663; HMS1361J05; HMS1791J05; HMS1989J05; HMS2089E13; HMS3402J05; NSC27461; ZINC1530756; Tox21_110246; 7077AB; MFCD00066880; STK367963; AKOS000271131; Tox21_110246_1; 4-Amino-N-(diethylaminoethyl)benzamide; CCG-205075; CS-W009100; DB01035; FS-5697; MCULE-2863739556; SDCCGSBI-0050968.P005; IDI1_000931; IDI1_033933; SMP1_000055; NCGC00015859-01; NCGC00015859-02; NCGC00015859-03; NCGC00015859-04; NCGC00015859-05; NCGC00015859-06; NCGC00015859-08; NCGC00015859-09; NCGC00015859-10; NCGC00015859-11; NCGC00015859-14; NCGC00015859-16; NCGC00015859-18; NCGC00015859-23; NCGC00024323-03; NCGC00024323-04; NCGC00024323-05; NCGC00024323-06; N-(2-Diethylaminoethyl) 4-aminobenzamide; 4-amino-N-(2-diethylaminoethyl) benzamide; SBI-0050968.P004; AB00053530; BB 0216450; N1-[2-(diethylamino)ethyl]-4-aminobenzamide; 4-{N-[2-(diethylamino)ethyl]carbamoyl}aniline; 4-Amino-N-[2-(diethylamino)ethyl]benzamide #; C07401; C75392; D08421; AB00053530-13; AB00053530-15; AB00053530_16; 051P069; L001052; Q417597; BRD-K75089421-001-02-5; BRD-K75089421-003-04-7; BRD-K75089421-003-05-4; BRD-K75089421-003-15-3; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)- (9CI); F2173-1035; 4-azanyl-N-[2-(diethylamino)ethyl]benzamide;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8428	DB01035	DR00292	.	235.33	C13H21N3O	58.4	221	0.9	17	2	3	6	"1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)"	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	REQCZEXYDRLIBE-UHFFFAOYSA-N
DG00800	Prochlorperazine	4917	"Prochlorperazine; 58-38-8; Prochlorperazin; Prochlorpromazine; Chlormeprazine; Chlorperazine; Procloperazine; Capazine; Prochlorpemazine; Compazine; Proclorperazine; Meterazin; Meterazine; Stemetil; Tementil; Kronocin; Emelent; Nipodal; Temetid; Prochlorpermazine; Novamin; Proclorperazina; Bayer A 173; Prochlorperazine maleate; Prochloroperazine; Prochlorperazinum; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; Vertigon; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; SKF 4657; 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; 6140 RP; RP 6140; UNII-YHP6YLT61T; 3-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-; Buccastem; CHLOPERAZINE; 2-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)-phenothiazine; 3-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; MLS000028600; N-(gamma-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine; 10H-Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-; Chloro-3 (N-methylpiperazinyl-3 propyl)-10 phenothiazine; Compro; YHP6YLT61T; Prochlorperazine Base; SMR000058705; Prochlorperazine mesylate; CHEBI:8435; 2-chloro-10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazine; Compazine Suppositories; Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-; Prochlorperazinum [INN-Latin]; Proclorperazina [INN-Spanish]; Proazine; MLS001148133; Compro (TN); NSC17478; NSC167375; HSDB 3171; CAS-84-02-6; Compazine (*Maleate*); SMR000653454; EINECS 200-379-4; Chloropernazine; Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-; Prochlorperazine (JAN/USP/INN); 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazine; Chloro-3 (N-methylpiperazinyl-3 propyl)-10 phenothiazine [French]; Prochlorperazine [USP:INN:BAN:JAN]; Eskatrol (Salt/Mix); Spectrum_000840; Opera_ID_244; Prestwick0_000399; Prestwick1_000399; Prestwick2_000399; Prestwick3_000399; Spectrum2_001297; Spectrum3_000881; Spectrum4_000972; Spectrum5_001339; Lopac-P-9178; CHEMBL728; Probes1_000265; Probes2_000307; Lopac0_001034; SCHEMBL18429; BSPBio_000617; BSPBio_002394; KBioGR_001343; KBioGR_002304; KBioSS_001320; KBioSS_002306; cid_91499; MLS006011830; DivK1c_000413; SPBio_001333; SPBio_002538; BPBio1_000679; GTPL7279; DTXSID7023514; BDBM78434; KBio1_000413; KBio2_001320; KBio2_002304; KBio2_003888; KBio2_004872; KBio2_006456; KBio2_007440; KBio3_001762; KBio3_002784; cMAP_000013; NINDS_000413; HMS2231P21; STL371212; ZINC19796018; AKOS003600762; CCG-205112; DB00433; RP-6140; SDCCGSBI-0051005.P005; IDI1_000413; MRF-0000068; NCGC00015856-01; NCGC00015856-02; NCGC00015856-03; NCGC00015856-04; NCGC00015856-05; NCGC00015856-06; NCGC00015856-07; NCGC00015856-16; NCGC00023036-03; NCI60_022783; P77; SBI-0051005.P004; 6140 R.P.; DB-053199; AB00053532; FT-0603243; C07403; C16030; D00493; AB00053532_29; AB00053532_30; 058P388; A831861; L001030; Q2359690; BRD-K19352500-070-02-5; BRD-K19352500-070-05-8; BRD-K19352500-332-03-7; SR-01000000260-11; 2-Chloro-10-(3-(1-methyl-4-piperazinyl)-propyl)-phenothiazine; N-(.gamma.-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine; Phenothiazine, 2-chloro-10-[3-(1-methyl-4-piperazinyl)propyl]-; 2-Chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine #; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid; 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;ethane-1,2-disulfonic acid; 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine;ethane-1,2-disulfonic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8435	DB00433	DR00592	DR1345	373.9	C20H24ClN3S	35	429	4.9	25	0	4	4	"1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3"	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl	WIKYUJGCLQQFNW-UHFFFAOYSA-N
DG00804	Rabeprazole	5029	"Rabeprazole; 117976-89-3; Aciphex; Habeprazole; Pariets; 2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole; CHEBI:8768; LY307640; 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole; Rabeprazole [INN:BAN]; 1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-; 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methane}sulfinyl)-1H-1,3-benzodiazole; pariprazole; rabeprazol; Rabeloc; Eraloc; 1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-; Rabeprazole (INN); Eraloc (TN); HSDB 7321; 2-[{4-(3-methoxypropoxy)-3-methylpyridin-2-yl}methylsulfinyl]-1H-benzimidazole; 2-{[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl}-1H-benzimidazole; 2-(((4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole; 2--1H-benzimidazole; 2-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole; LY 307640; CHEMBL1219; SCHEMBL23336; MLS001401446; BIDD:GT0019; GTPL7290; DTXSID3044122; HMS2052P03; HMS3394P03; AMY10338; BCP06638; HY-B0656; BDBM50070209; E-3810 (PPI); MFCD00868879; s4845; STL186112; AKOS015895259; CCG-101158; DB01129; MCULE-7848941080; NC00408; PB21725; 2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole; NCGC00388029-07; NCGC00388029-09; AS-34993; SMR000469174; SBI-0206867.P001; DB-020298; DS-002860; FT-0602569; FT-0674301; FT-0674302; Q3515; C07864; D08463; AB00698237-06; 976R893; A803856; SR-01000763041; J-003691; SR-01000763041-3; BRD-A39390670-236-04-0; (R)-2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; (S)-2-(((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; 1H-benzimidazole,2-[(r)-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfinyl]-; 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl] sulfinyl]-1H-benzimidazole; 2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-methyl]sulfinyl]-1H-benzimidazole; 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole;Rabeprazole; 2-{[(3-Methyl-4-(3-methoxypropoxy)-2-pyridinyl)methyl]sulphinyl}1H-benzimidazole; 2-{4-(3-Methoxypropoxy)-3-methylpyridine-2-yl}methylsulfinyl-1H-benzimidazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8768	DB01129	DR01195	.	359.4	C18H21N3O3S	96.3	440	1.9	25	1	6	8	"1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)"	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	YREYEVIYCVEVJK-UHFFFAOYSA-N
DG00809	Succinylcholine	5314	"Succinylcholine; Suxamethonium; Succinyldicholine; Succinocholine; Succinoylcholine; Dicholine succinate; Succinylbischoline; Quelicin; 306-40-1; Anectine; Ditilin; suxamethonium chloride; Ditiline; Sucostrin; 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM); UNII-J2R869A8YF; Scoline; CHEBI:45652; CHEMBL703; trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium; J2R869A8YF; Diacetylcholine; Succinyl choline; Choline, succinyl-; Choline, succinate (ester); Succinic acid, diester with choline; trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium; Choline, succinate (2:1) (ester); HSDB 3254; BRN 1805311; .Succinylcholin; Suxamethonium ion; Succinylcholine ion; Suxamethonium cation; diester with choline; Succinylcholine cation; succinylcholine-chloride; 2ha2; 2ha6; Lopac-S-8251; Epitope ID:116045; Ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(N,N,N-trimethyl-; Lopac0_001080; SCHEMBL41537; 4-04-00-01451 (Beilstein Handbook Reference); MLS001183716; GTPL4004; DTXSID7048455; AXOIZCJOOAYSMI-UHFFFAOYSA-; HMS2090P14; ZINC1530820; BDBM50061568; STK177290; AKOS022084126; CCG-205157; DB00202; MCULE-7641058357; ETHANAMINIUM,2,2'-[(1,4-DIOXO-1,4-BUTANEDIYL)BIS(OXY)]BIS[N,N,N-TRIMETHYL-; trimethyl-[2-[4-oxo-4-(2-trimethylazaniumylethoxy)butanoyl]oxyethyl]azanium diio; NCGC00015971-01; NCGC00015971-02; NCGC00015971-03; NCGC00015971-04; NCGC00015971-07; NCGC00162336-01; SMR000677912; C07546; AB00375912-06; L000926; Q424378; 2,2''-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45652	DB00202	.	.	290.4	C14H30N2O4+2	52.6	284	0.6	20	0	4	11	"1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2"	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	AXOIZCJOOAYSMI-UHFFFAOYSA-N
DG00818	Gatifloxacin	5379	"Gatifloxacin; 112811-59-3; Tequin; Gatiflo; Zymar; AM-1155; Zymaxid; AM 1155; gatifloxacin anhydrous; CG 5501; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; BMS-206584; GTFX; BMS 206584-01; PD 135432; 1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; Gatifloxacin hydrate; CHEMBL31; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; PD-135432; CHEBI:5280; Gatilox; Gatiquin; Gatispan; 160738-57-8; Gaity; CG5501; MFCD00895399; NSC-758701; gatifloxin; NCGC00068236-02; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; DSSTox_CID_25704; DSSTox_RID_81076; DSSTox_GSID_45704; Gatifloxacin [USAN:INN]; Bonoq; Tymer; Zymer; 1-cyclopropyl-6-fluoro- 8-methoxy-7-(3-methylpiperazin-1-yl)- 4-oxo-quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-; SMR000043336; Gatifloxacin (TN); Gatifloxacin (INN); CAS-112811-59-3; Zymer (TN); 1-cyclopropyl-6-fluoro-8-methoxy-7-; SR-01000610458; (3-methylpiperazin-1-yl)-4-oxo-1,4-; gatifloxacino; gatifloxacinum; Gatifloxcin; Tequin in dextrose 5% in plastic container; AM-1155 (*Sesquihydrate*); Gatifloxacin & Gamma Interferon; Gatifloxacin,(S); (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; CG-5501; Kinome_3137; Spectrum_001909; CPD000043336; PD135432; BMS-206584-01; Spectrum2_000487; Spectrum3_000999; Spectrum4_001127; Spectrum5_001468; Gatifloxacin (sesquihydrate); SCHEMBL22591; BSPBio_002697; KBioGR_001613; KBioSS_002448; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; MLS000040259; MLS000759493; MLS006011836; SPECTRUM1504272; SPBio_000353; Gatifloxacin Sesquihydrate,(S); DTXSID5045704; GTPL10816; KBio2_002442; KBio2_005010; KBio2_007578; KBio3_001917; HMS1922J15; HMS2090K10; HMS2093G06; HMS2233D20; HMS3259P06; HMS3372J10; HMS3372J12; HMS3715N03; Pharmakon1600-01504272; ALBB-028535; AMY17781; BCP13408; RKL10068; Tox21_110984; BBL010485; BDBM50117914; CCG-39529; NSC758701; s1340; STK801620; C19H22FN3O4.1.5H2O; AKOS004119932; AKOS016340697; Tox21_110984_1; AC-1944; CS-1841; DB01044; KS-1066; MCULE-4557972261; NC00702; NSC 758701; NCGC00068236-03; NCGC00068236-04; NCGC00068236-05; NCGC00068236-06; NCGC00068236-07; NCGC00068236-08; NCGC00095126-01; NCGC00095126-02; NCGC00178525-01; BMS-20658401; HY-10581; SBI-0206764.P001; DB-019145; Gatifloxacin 100 microg/mL in Acetonitrile; FT-0626635; FT-0631189; FT-0668952; G0325; C07661; D08011; G-2380; AB00171654-13; AB00171654-14; AB00171654_16; AB00171654_17; 811G593; A802657; Gatifloxacin, Antibiotic for Culture Media Use Only; Q2365016; SR-01000610458-2; SR-01000610458-3; BRD-A74980173-001-02-8; BRD-A74980173-001-06-9; 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6-6-fluoro-1,4-dihydro-8-methoxy-7-(3methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic a; 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; 1-cyclopropyl-7-(3-methyl-1-piperazinyl)-6-fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5280	DB01044	DR01165	.	375.4	C19H22FN3O4	82.1	653	-0.7	27	2	8	4	"1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)"	CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	XUBOMFCQGDBHNK-UHFFFAOYSA-N
DG00823	Thiethylperazine	5440	"Thiethylperazine; Torecan; ETHYLTHIOPERAZINE; 1420-55-9; Tietilperazina; Thiethylperazinum; Norzine; Thiethylperazine maleate; UNII-8ETK1WAF6R; 2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; 8ETK1WAF6R; 3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine; 10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-; 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; CHEBI:9544; 1179-69-7; 2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine; 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; Thiethylpipezazine; GS-95; Theithylperazine; 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine; Tietilperazina [DCIT]; Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-; 10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-; Thiethylperazinum [INN-Latin]; 2-Ethylthio-10-(3-(4-methylpiperazin-1-yl)propyl)phenothiazine; Thioethylperazine; MLS002154140; Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-; Thiethylperazine [USAN:INN:BAN]; 2-(ethylthio)-10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazine; NSC130044; HSDB 3400; Norzine (*Dimaleate*); SMR001233447; EINECS 215-819-0; GS-95 (*Dimaleate*); Thiethylperazine (USAN/INN); Norzine (Salt/Mix); Torecan (Salt/Mix); Tresten (Salt/Mix); CHEMBL1378; SCHEMBL49124; GTPL7306; DTXSID1023651; BDBM78436; cid_3085006; BCP09601; Thiethylperazine maleate (Salt/Mix); ZINC22446674; DB00372; NCGC00262537-04; AB00514742; C07132; D02354; L000871; Q372725; 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenthiazine; 2-(ethylthio)-10-[3-(4-methylpiperazino)propyl]phenothiazine;malic acid; 2-(Ethylsulfanyl)-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine #; 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine;2-hydroxybutanedioic acid; 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-oxidanylbutanedioic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9544	DB00372	.	.	399.6	C22H29N3S2	60.3	455	5.4	27	0	5	6	"1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3"	CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C	XCTYLCDETUVOIP-UHFFFAOYSA-N
DG00829	Triamterene	5546	"Triamterene; 396-01-0; 6-phenylpteridine-2,4,7-triamine; 2,4,7-Triamino-6-phenylpteridine; Dyrenium; Dytac; Pterofen; Pterophene; Triamteren; Triamteril; Triteren; Ademin; Ademine; Diurene; Noridil; Taturil; Teridin; Urocaudal; Jatropur; Noridyl; Triampur; Diren; Ditak; Dyren; Teriam; Tri-Span; Triamteril complex; Trispan; 6-Phenyl-2,4,7-pteridinetriamine; 2,4,7-Pteridinetriamine, 6-phenyl-; SK&F 8542; 6-Phenyl-2,4,7-triaminopteridine; SKF 8542; Pteridine, 2,4,7-triamino-6-phenyl-; 2,4,7-Triamino-6-fenilpteridina; C12H11N7; UNII-WS821Z52LQ; BRN 0266723; Diucelpin; NSC-77625; SK-8542; WS821Z52LQ; Masuharmin; Triamizide; Triamthiazid; Amteren; Dinazide; Diutensat; Diuteren; Dyberzide; Dytenzide; Esiteren; Hidiurese; Hydrene; Hypertorr; Jenateren; Kalspare; Nephral; Renezide; Reviten; Tricilone; Triurene; Uretren; Diarol; Isobar; Trizid; Anjal; Dazid; Turfa; Apo-triazide; Thiazid Wolff; NCI-C56042; NSC77625; Ademin(e); MFCD00006708; NCGC00016016-10; Triamterena; Triamterenum; CAS-396-01-0; Triazide; Fluss 40; SALI-PUREN; DSSTox_CID_1373; DSSTox_RID_76117; DSSTox_GSID_21373; Triamterenum [INN-Latin]; Triamterena [INN-Spanish]; Dyrenium (TN); CCRIS 5872; Pteridine deriv. 11; HSDB 3405; 2,4,7-Triamino-6-fenilpteridina [Italian]; NCI C56042; SR-01000002968; EINECS 206-904-3; NSC 77625; NSC 639359; AI3-60017; Prestwick_480; SK&F-8542; Dyazide (Salt/Mix); Triamterene [USAN:USP:INN:BAN:JAN]; Spectrum_000508; Triamterene, >=99%; Prestwick0_000034; Prestwick1_000034; Prestwick2_000034; Prestwick3_000034; Spectrum2_000938; Spectrum3_001372; Spectrum4_000366; Spectrum5_001034; Lopac-T-4143; CHEMBL585; T 4143; NCIOpen2_004741; Lopac0_001196; Oprea1_825704; SCHEMBL40707; BSPBio_000127; BSPBio_002924; KBioGR_000831; KBioSS_000988; 5-26-17-00447 (Beilstein Handbook Reference); MLS000069431; BIDD:GT0534; DivK1c_000433; SPECTRUM1500589; SPBio_000876; SPBio_002048; BDBM6644; BPBio1_000141; CHEBI:9671; GTPL4329; Triamterene (JP17/USP/INN); 2,7-Triamino-6-phenylpteridine; 6-Phenyl-2,7-triaminopteridine; DTXSID6021373; HMS501F15; KBio1_000433; KBio2_000988; KBio2_003556; KBio2_006124; KBio3_002144; SKF8542; NINDS_000433; 3'-Bromobiphenyl-3-carboxylicacid; HMS1568G09; HMS2092O17; HMS2095G09; HMS2232B04; HMS3259C08; HMS3263P13; HMS3371D10; HMS3652E10; HMS3712G09; Pharmakon1600-01500589; ZINC120286; 2,7-Pteridinetriamine, 6-phenyl-; Pteridine,4,7-triamino-6-phenyl-; BCP28855; HY-B0575; 2,4,7-triamino-6-phenyl-pteridine; Tox21_110283; Tox21_202021; Tox21_302833; Tox21_501196; CCG-40090; NSC639359; NSC757367; s4080; STK300348; AKOS003790819; Tox21_110283_1; DB00384; LP01196; MCULE-5832721534; NC00544; NSC-639359; NSC-757367; SDCCGSBI-0051163.P004; IDI1_000433; SMP1_000147; NCGC00016016-01; NCGC00016016-02; NCGC00016016-03; NCGC00016016-04; NCGC00016016-05; NCGC00016016-06; NCGC00016016-07; NCGC00016016-08; NCGC00016016-09; NCGC00016016-11; NCGC00016016-12; NCGC00016016-13; NCGC00016016-14; NCGC00016016-15; NCGC00016016-16; NCGC00016016-18; NCGC00016016-28; NCGC00016016-29; NCGC00023458-03; NCGC00023458-04; NCGC00023458-05; NCGC00023458-06; NCGC00023458-07; NCGC00256495-01; NCGC00259570-01; NCGC00261881-01; AC-14066; AS-12471; SMR000059118; SBI-0051163.P003; DB-049442; AB00052116; B2275; BB 0256885; EU-0101196; SW196688-3; T1288; Triamterene 1.0 mg/ml in Dimethyl Sulfoxide; Dyrenium; ; ; 2,4,7-Triamino-6-phenylpteridine; D00386; D95706; WLN: T66 BN DN GN JNJ CZ EZ HR& IZ; AB00052116_13; AB00052116_14; 396T010; A824641; Q221520; SR-01000002968-2; SR-01000002968-4; SR-01000002968-6; BRD-K92049597-001-05-9; BRD-K92049597-001-10-9; Z275128596; Triamterene, British Pharmacopoeia (BP) Reference Standard; Triamterene, European Pharmacopoeia (EP) Reference Standard; Triamterene, United States Pharmacopeia (USP) Reference Standard; Triamterene, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9671	DB00384	DR01341	DR1636	253.26	C12H11N7	130	307	1	19	3	7	1	"1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)"	C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N	FNYLWPVRPXGIIP-UHFFFAOYSA-N
DG00830	Trifluoperazine	5566	"Trifluoperazine; Trifluperazine; 117-89-5; Trifluoroperazine; Trifluoperazin; Triflurin; Triperazine; Trifluoperazina; Flurazine; Trifluoromethylperazine; Stelazine; Trifluoperazinum; Trifluroperizine; Triphthasine; Eskazine; RP 7623; Fluoperazine; TFP; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine; Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; NSC 17474; 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; Calmazine; UNII-214IZI85K3; 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine; 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine; 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE; SKF 5019; CHEBI:45951; 214IZI85K3; 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine; 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; NSC-17474; NSC17474; Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; Trifluoperazina [Italian]; Apo-Trifluoperazine; Trifluoperazine [INN:BAN]; Trifluoperazinum [INN-Latin]; Trifluoperazina [INN-Spanish]; MLS001146870; MLS002702821; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; SMR001566649; CCRIS 6994; NSC-46061; C21H24F3N3S; HSDB 3195; Trifluoperazine (INN); 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride; CAS-440-17-5; EINECS 204-219-4; Apo-trifluoperazine (TN); NSC 46061; Stelazine (*Dihydrochloride*); 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine; Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; NCI17474; Synklor (Salt/Mix); Stelazine (Salt/Mix); Triftazin (Salt/Mix); Spectrum_000668; Terfluzine (Salt/Mix); Triftazine (Salt/Mix); Jatroneural (Salt/Mix); Fluoperazine (Salt/Mix); Triphthazine (Salt/Mix); Prestwick0_000313; Prestwick1_000313; Prestwick2_000313; Prestwick3_000313; Spectrum2_000828; Spectrum3_001374; Spectrum4_000368; Spectrum5_001553; Lopac-T-8516; Biomol-NT_000060; CHEMBL422; cid_5566; 2-(((4-chlorophenyl)sulfonyl)amino)-benzoicaci; NCIStruc1_001127; NCIStruc2_001093; BIDD:PXR0132; Lopac0_001232; SCHEMBL24866; BSPBio_000306; BSPBio_001190; BSPBio_002928; GTPL214; KBioGR_000530; KBioGR_000835; KBioGR_002431; KBioSS_000530; KBioSS_001148; KBioSS_002437; MLS006011857; DivK1c_000843; SPBio_000755; SPBio_002525; BPBio1_000338; BPBio1_001345; DTXSID1046928; BDBM79181; cid_2913535; KBio1_000843; KBio2_000530; KBio2_001148; KBio2_002431; KBio2_003098; KBio2_003716; KBio2_004999; KBio2_005666; KBio2_006284; KBio2_007567; KBio3_000959; KBio3_000960; KBio3_002148; KBio3_002910; cMAP_000048; NINDS_000843; Bio1_000458; Bio1_000947; Bio1_001436; Bio2_000435; Bio2_000915; HMS1362L11; HMS1792L11; HMS1990L11; HMS2089J11; HMS3429O07; KUC109776N; BCP32898; EX-A3330; CCG-37306; NCGC00013226; PDSP1_001300; PDSP2_001284; s5856; STK182873; ZINC19418959; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine; AKOS001487920; DB00831; MCULE-3726407978; RP-7623; SDCCGSBI-0051199.P005; IDI1_000843; IDI1_002190; KSC-210-031; MRF-0000088; QTL1_000085; NCGC00013226-02; NCGC00013226-03; NCGC00013226-04; NCGC00013226-05; NCGC00013226-06; NCGC00013226-07; NCGC00013226-08; NCGC00013226-09; NCGC00013226-10; NCGC00013226-11; NCGC00013226-12; NCGC00013226-13; NCGC00013226-15; NCGC00013226-26; NCGC00024251-03; NCGC00024251-04; NCGC00024251-05; NCGC00024251-06; NCGC00024251-07; M989; NCI60_001427; NCI60_004087; SBI-0051199.P003; AB00053558; FT-0650159; C07168; D08636; AB00053558-27; AB00053558_28; AB00053558_29; L001075; Q1752915; SR-01000003020-6; BRD-K89732114-001-02-6; BRD-K89732114-001-03-4; BRD-K89732114-001-05-9; BRD-K89732114-300-05-5; BRD-K89732114-300-07-1; Triphthazine;Trifluperazine;NSC-17474;RP-7623;SKF-5019; 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine #; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride; 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45951	DB00831	DR00664	DR1641	407.5	C21H24F3N3S	35	510	5	28	0	7	4	"1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3"	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F	ZEWQUBUPAILYHI-UHFFFAOYSA-N
DG00833	Reserpine	5770	"Reserpine; 50-55-5; Serpalan; Serpasil; Apoplon; Serpivite; Hypersil; Alserin; Elserpine; Hiserpia; Raunervil; Raupasil; Rausedil; Rausedyl; Rauwasedin; Reserpin; Serpanray; Resine; Rivasin; Sandril; Serpate; (-)-Reserpine; Rau-Sed; Ascoserpina; Austrapine; Bioserpine; Enipresser; Eskaserpine; Helfoserpin; Hiposerpil; Maviserpin; Mayserpine; Mephaserpin; Purserpine; Rauserpine; Reserpamed; Reserpanca; Alkarau; Apsical; Banasil; Benazyl; Carditivo; Carrserp; Escaspere; Eserpine; Eskaserp; Hypersine; Idsoserp; Interpina; Lemiserp; Loweserp; Neoserfin; Neoserp; Quiescin; Raudiford; Raudixoid; Rauloydin; Raumorine; Raunorine; Raupoid; Raurine; Rausedan; Rauserpol; Rausingle; Rautrin; Rauvlid; Rauwilid; Rauwipur; Rauwoleaf; Rawilid; Resedrex; Reserbal; Resercaps; Resercen; Reserjen; Reserlor; Reserpal; Reserpene; Reserpex; Reserpil; Reserpina; Reserpoid; Respital; Restran; Riserpa; Roxinoid; Kitine; Raucap; Raugal; Raulen; Rausan; Reserp; Key-serpine; 3P Reserp; Crystoserpine; Neo-antitensol; Rauserpin-Alk; Deserpine; Reserpinum; Ryser; Reserfia; 3,4,5-Trimethoxybenzoyl methyl reserpate; V-Serp; Carpacil; Gilucard; Klimanosid; Resaltex; Resedril; Reserpidefe; Recipin; Serpine; ENT 50146; Raunova; Residin; Serpivate; Rese-lar; Reser-ar; NCI-C50157; H 520; UNII-8B1QWR724A; Sedaraupina; Temposerpine; Eberpine; Raudixin; Reserpur; Residine; Resocalm; Resperine; Rezerpin; Sandron; Sedaraupin; Sedserp; Serfolia; Serolfia; Serpaloid; Serpasol; Serpazol; Serpena; Serpentil; Serpentina; Serpicon; Serpiloid; Serpogen; Serpoid; Serpone; Sertabs; Sertens; Sertina; Triserpin; Unilord; Serfin; Serpen; Roxel; Vio-Serpine; SK-Reserpine; Renese R; T-Serp; C33H40N2O9; CHEMBL772; Broserpine; R-e-s; Sederaupin; Serpaneurona; Tefaserpina; Tenserpinie; Tepserpine; Eberspine; Reserpka; Resiatric; Resperin; Rivased; Rolserp; Roxynoid; Serpazil; Serpedin; Serpentin; Serpipur; Serpyrit; Sertensin; Serpil; Tempo-Reserpina; 8B1QWR724A; 50-55-5 (free); Mallopress; Rcra waste number U200; Hydropine; Hydroserp; Rauwita; .gamma.-Serpine; CHEBI:28487; Hydromox-R; Diurese-R; NSC59272; Metatensin #2; Metatensin #4; MFCD00005091; NSC-59272; component of Naquival; component of Regroton; Hydropres 25; Hydropres 50; Hydrosine 25; NSC-237659; (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester; methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate; Usaf cb-27; component of Renese R; component of Metatensin; NCGC00091250-04; Hydroserpalan; Diupres 250; Diupres 500; l-Carpserp; component of Butiserpazide; DSSTox_CID_1237; Hydroserpine Plus; Hydroserpine #1; DSSTox_RID_76029; DSSTox_GSID_21237; Chloroserp-250; Chloroserp-500; Chloroserpin-250; Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-; Serpasil premix; Chloroserpine-500; Hydro-Reserpine-25; Hydro-Reserpine-50; Hydro-Fluserpine #1; l -Carpserp; Caswell No. 722A; Serp-AFD; Reserpina [INN-Spanish]; 3,5-Trimethoxybenzoyl methyl reserpate; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-; (1S,2R,3R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate; methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-bis(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate; SMR000059122; Apoplon (TN); CCRIS 550; Serpine (pharmaceutical); HSDB 213; Methyl reserpate 3,5-trimethyloxybenzoic acid; 11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester; Methyl reserpate 3,5-trimethoxybenzoic acid ester; EINECS 200-047-9; RCRA waste no. U200; EPA Pesticide Chemical Code 123101; NSC 237659; BRN 0102014; AI3-50146; WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 DO1 EO1& TO1 UVO1; Reserpine [USP:INN:BAN:JAN]; CAS-50-55-5; Reserpine,(S); Serpalan (TN); 3-.beta., 18-.beta.-hydroxy-11,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester); 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester); Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate; methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate; Yohimban-16-carboxylic acid,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-; Prestwick_147; Methyl reserpate 3,4,5-trimethoxybenzoic acid ester; Reserpine, 99%; Spectrum_000109; Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester); 79 more names available; 1263-94-1; Prestwick0_000875; Prestwick1_000875; Prestwick2_000875; Prestwick3_000875; Spectrum3_000894; Spectrum4_000989; Spectrum5_001415; R 0875; SCHEMBL2589; Lopac0_000073; BSPBio_000949; KBioGR_001397; KBioSS_000549; 4-25-00-01319 (Beilstein Handbook Reference); Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester); methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[ ]carboxylate; MLS002154046; MLS006011754; DivK1c_000012; SPECTRUM1500526; SPBio_002870; Reserpine (JP17/USP/INN); AMY591; BPBio1_001045; GTPL4823; MEGxp0_001904; DTXSID7021237; ACon1_000086; HMS500A14; KBio1_000012; KBio2_000549; KBio2_003117; KBio2_005685; KBio3_001808; AOB5791; NINDS_000012; HMS1570P11; HMS1920P04; HMS2092G05; HMS2097P11; HMS2234E24; HMS3260O07; HMS3413D20; HMS3677D20; HMS3714P11; HMS3884I21; Pharmakon1600-01500526; HY-N0480; Reserpine, Vetec(TM) reagent grade; RKL10049; ZINC3938746; Tox21_111107; Tox21_202395; Tox21_300537; Tox21_500073; BBL028800; BDBM50017712; ENT-50146; NSC237659; NSC757309; STK801975; AKOS000277559; Tox21_111107_1; CCG-204168; CS-1913; DB00206; KS-5106; LP00073; MCULE-9131256292; MCULE-9946449258; NSC-757309; SDCCGSBI-0050061.P005; IDI1_000012; NCGC00091250-01; NCGC00091250-02; NCGC00091250-03; NCGC00091250-05; NCGC00091250-06; NCGC00091250-07; NCGC00091250-08; NCGC00091250-09; NCGC00091250-10; NCGC00091250-12; NCGC00091250-14; NCGC00091250-25; NCGC00254489-01; NCGC00259944-01; NCGC00260758-01; 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester); AC-13142; AC-34405; BR164333; methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; NCI60_004446; SBI-0050061.P004; EU-0100073; Reserpine, crystallized, >=99.0% (HPLC); SW196458-3; UNM000011053801; C06539; D00197; J10192; AB01562943_01; 005R091; A913268; Q407841; Q-100566; BRD-K95921201-001-07-0; Methyl reserpate; 3,4,5-Trimethoxybenzoic acid ester; Reserpine, certified reference material, TraceCERT(R); Reserpine solution, 1 pg/muL in methanol: water (1:1); Reserpine, European Pharmacopoeia (EP) Reference Standard; Reserpine Standard for LC-MS, analytical standard, for LC-MS; Reserpine, United States Pharmacopeia (USP) Reference Standard; Reserpine, Pharmaceutical Secondary Standard; Certified Reference Material; (3 ,16 ,17 ,18 ,20 )-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester; (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18- [(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxyl ic acid methyl ester; 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester) (8CI); methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate; Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(3,4,5-trimethoxybenzoyl)oxy-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28487	DB00206	DR00636	DR2310	608.7	C33H40N2O9	118	1000	4	44	1	10	10	"1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1"	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	QEVHRUUCFGRFIF-MDEJGZGSSA-N
DG00838	Cantharidin	5944	"Cantharidin; 56-25-7; CANTHARIDINE; Cantharone; Kantaridin; Cantharides camphor; Kantharidin; 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride; UNII-IGL471WQ8P; NSC61805; exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride; Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; BRN 0085302; AI3-04021; (3ar,4s,7r,7as)-3a,7a-dimethylhexahydro-4,7-epoxy-2-benzofuran-1,3-dione; IGL471WQ8P; CHEMBL48449; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-; CHEBI:64213; 7a-Dimethylhexahydro-3a,4,7-epoxyisobenzofuran; CAN [Alkaloid]; MFCD00134968; NSC-61805; Cantharidin (USAN); Cantharidin [USAN]; 3a,7a-Dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; NSC 61805; Kantharidin [German]; Caswell No. 157; (3a ,4 ,7 ,7a )-Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-,(3aR,4S,7R,7aS)-rel-; CCRIS 635; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-; 2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride; 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-; HSDB 2181; EINECS 200-263-3; EPA Pesticide Chemical Code 013101; Cantaridina; Cantharidinum; CAS-56-25-7; NCGC00016247-01; Prestwick3_000885; (1R,2S,3R,6S)-1,2-Dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride; 2,3-dicarboxylic anhydride; Hexahydro-3aalpha,7aalpha-dimethyl-4beta,7beta-epoxyisobenzofuran-1,3-dione; NCIMech_000301; BSPBio_000670; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha); 5-19-05-00051 (Beilstein Handbook Reference); SCHEMBL152262; BPBio1_000738; Cantharides camphor, Cantharone; cid_6708701; HMS2097B12; HMS3412J13; HMS3676J13; 1,6-epoxyperhydrophthalic anhydride; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-; ACT03236; AMY33451; BCP09819; HY-N0209; BDBM50090505; CCG-35382; CCG-36082; WHO 11470; ZINC17611186; AKOS015895930; AC-7967; CS-4979; DB12328; 4,3-dione, hexahydro-3a,7a-dimethyl-; exo-1,6-epoxyhexahydrophthalic anhydride; NCGC00025212-02; NCGC00025212-03; NCGC00025212-04; NCGC00025212-05; NCGC00025212-31; AS-18735; NCI60_005413; WLN: T C555 A AO DVOVTJ C1 G1; AB00513946; Hexahydro-3a,7-epoxyisobenzofuran-1,3-dione; X1105; D11745; 7-Oxabicyclo[2.2.1]heptane-2, 2,3-dimethyl-; 134C968; Q410884; SR-01000597585; SR-01000597585-1; BRD-K80684056-001-01-0; (3aR,4S,7R,7aS)-3a,7a-dimethylhexahydro-4,7-epoxyisobenzofuran-1,3-dione; (1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,2R,6S,7R)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione; (1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione; (1S,3S,4R,7R)-2,6-dimethyl-4,10-dioxa-tricyclo[5.2.1.0-2,6]decane-3,5-dione; 4,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-; Cantharidin:4,7-Epoxyisobenzofuran-1,3-dione,hexahydro-3a,7a- dimethyl-, (3a,4,7,7a)-,"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64213	DB12328	.	.	196.2	C10H12O4	52.6	318	0.6	14	0	4	0	"1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-"	C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3	DHZBEENLJMYSHQ-XCVPVQRUSA-N
DG00842	Edetic acid	6049	"EDTA; Edetic acid; Ethylenediaminetetraacetic acid; 60-00-4; Endrate; Versene; Edathamil; Havidote; Sequestrol; Titriplex; EDTA acid; Cheelox; Sequestric acid; Warkeelate acid; Gluma cleanser; Sequestrene aa; Komplexon ii; Quastal Special; Tetrine acid; Versene acid; Metaquest A; Trilon bw; Complexon II; Hamp-ene acid; Titriplex II; Cheelox BF acid; Trilon BS; Celon A; Chelest 3A; Questex 4H; Celon ATH; Chemcolox 340; Universne acid; Vinkeil 100; Dissolvine E; Nullapon B acid; Nullapon bf acid; Perma kleer 50 acid; Nervanaid B acid; Clewat TAA; (Ethylenedinitrilo)tetraacetic acid; EDTA (chelating agent); Versenate; Ethylenedinitrilotetraacetic acid; Calcium disodium versenate; Acidum edeticum; Edetate disodium; Acide edetique; Acido edetico; Caswell No. 438; Disodium EDTA; Chelaton 3; ICRF 185; Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-; Cheladrate; SEQ 100; Edetate calcium; Ethylenebisiminodiacetic acid; YD 30; Acide edetique [INN-French]; Acido edetico [INN-Spanish]; Acidum edeticum [INN-Latin]; CCRIS 946; Edetate; ETHYLENEDIAMINE TETRAACETIC ACID; HSDB 809; Acide ethylenediaminetetracetique; Ethylenediamine-N,N,N',N'-tetraacetic acid; 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; UNII-9G34HU7RV0; Acetic acid, (ethylenedinitrilo)tetra-; EPA Pesticide Chemical Code 039101; Edta disodium; Ethylenebis(iminodiacetic acid); Disodium edetate; Disodium versene; Endrate disodium; Kyselina ethylendiamintetraoctova; Sodium versenate; Edetic acid disodium salt; Ethylenediaminetetraacetate; Kyselina ethylendiamintetraoctova [Czech]; Acide ethylenediaminetetracetique [French]; Metaquest B; ethylene diamine tetraacetic acid; Kiresuto B; Chelaplex III; Complexon III; Diso-Tate; Titriplex III; 3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-; AI3-17181; Chelaton III; Versene NA; Triplex III; Disodium versenate; Edathamil disodium; Trilon BD; Versene Na2; Disodium sequestrene; Disodium tetracemate; EDTA disodium salt; F 1 (complexon); MFCD00003541; EDTA, ion(4-); CHEMBL858; Sequestrene sodium 2; Acetic acid, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-; N,N'-1,2-Ethanediylbis(N-(carboxymethyl)glycine); Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-; {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID; Disodium salt of EDTA; 9G34HU7RV0; Perma Kleer Di Crystals; Calcium disodium versenate (TN); ethylene-diamine tetraacetic acid; 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid; CHEBI:42191; 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid; 4-04-00-02449 (Beilstein Handbook Reference); N,N'-1,2-Ethane diylbis-(N-(carboxymethyl)glycine); Ethylenediaminetetraacetic acid disodium salt; Edetate calcium disodium (USP); Sequestrene Na2; Trilon B; Selekton B2; Disodium ethylenediaminetetraacetate; (ethylenedinitrilo)tetraacetic acid, ion(4-); Perma kleer 50 crystals disodium salt; Disodium (ethylenedinitrilo)tetraacetate; Disodium ethylenediaminetetraacetic acid; SODIUM ETHYLENEDIAMINETETRAACETATE; CaEDTA; CBC 50152966; DR-16133; Ethylenediaminetetraacetate, disodium salt; Disodium diacid ethylenediaminetetraacetate; D'E.d.t.a. disodique; Disodium (ethylenedinitrilo)tetraacetic acid; 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate; Disodium dihydrogen ethylenediaminetetraacetate; Ethylenediaminetetraacetic acid, disodium salt; Disodium dihydrogen(ethylenedinitrilo)tetraacetate; 139-33-3; NSC2760; 470462-56-7; C10H16N2O8; N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine]; NCGC00159485-02; 6381-92-6; EINECS 200-449-4; BRN 1716295; disodium-edta; Edetic acid [INN:BAN:NF]; (Ethylenedinitrilo)tetraacetic acid, disodium salt; 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid; Tricon bw; ([2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino)-acetic acid; {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid; Calcium Disodium Edetate (JAN); Techrun DO; EDTA, anhydrous; Zonon AO; EDTA, free acid; EDTA, free base; ACETIC ACID, (ETHYLENEDINITRILO)TETRA-, DISODIUM SALT; Versene acid (TN); Acroma DH 700; Spectrum_001018; Edetic acid (NF/INN); 53632-26-1; Spectrum2_000003; Spectrum3_000412; Spectrum4_000531; Spectrum5_000955; Edetic acid [BAN:INN]; DSSTox_CID_2977; EC 200-449-4; EDTA, anhydrous ACS grade; DSSTox_RID_76814; DSSTox_GSID_22977; ethylenediaminetetracetic acid; BSPBio_001964; Diaminoethanetetra-acetic acid; Ethylenediamineteraacetic Acid; KBioGR_001161; KBioSS_001498; ethylenediaminetetraacetic-acid; MLS001249457; BIDD:ER0565; DivK1c_000777; ethylenediamine tetracetic acid; SPBio_000005; ethylenediamine-tetraacetic acid; DTXSID6022977; KBio1_000777; KBio2_001498; KBio2_004066; KBio2_006634; KBio3_001184; (Ethylenedintrilo)tetraacetic acid; ethylen-ediamine tetra-acetic acid; NINDS_000777; CS-B1827; HY-Y0682; STR08855; Tox21_202736; BDBM50330325; s6350; STK386291; ZINC19364242; AKOS001574475; Glycine, (N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, labeled with carbon-14; (ethane-1,2-diyldinitrilo)tetraacetate; DB00974; MCULE-1868494404; CAS-60-00-4; IDI1_000777; NCGC00159485-03; NCGC00159485-04; NCGC00260284-01; 688-55-1; AC-10615; SMR000058776; SBI-0051360.P003; DB-084840; DS-003836; B7197; E0084; Ethylenediaminetetraacetic acid, 2Na (EDTA); Ethylenediaminetetraacetic acid, LR, >=98%; FT-0626319; FT-0668253; FT-0668254; C00284; D00052; Ethylenediaminetetraacetic acid, p.a., 98.0%; AB00053468_03; Ethylenediaminetetraacetic acid solution, 0.02 N; Ethylenediaminetetraacetic acid, >=98.0% (KT); A832566; N,N'-1,2-Ethanediylbis[N-(carboxymethyl)]glycine; Q408032; SR-01000883946; Ethylenediaminetetraacetic acid, Cell Culture Reagent; J-610078; SR-01000883946-1; 37C3C5E7-D921-445F-82D6-FEBF1AE5AEF5; Ethylenediaminetetraacetic acid, Electrophoresis Grade; Z2688689169; Ethylenediaminetetraacetic acid, BioUltra, >=99.0% (KT); Ethylenediaminetetraacetic acid, 0.5M aq. solution, pH 8.0; Ethylenediaminetetraacetic acid, 99.995% trace metals basis; Ethylenediaminetetraacetic acid, SAJ special grade, >=99.0%; Ethylenediaminetetraacetic acid, Vetec(TM) reagent grade, 98%; [{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]acetic acid; 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid; Edetic acid, United States Pharmacopeia (USP) Reference Standard; Ethylenediaminetetraacetic acid, ACS reagent, 99.4-100.6%, powder; Ethylenediaminetetraacetic acid, purified grade, >=98.5%, powder; 2,2'',2'''',2''''''-(ethane-1,2-diylbis(azanetriyl))tetraacetic acid; Ethylenediaminetetraacetic acid, 0.5M aqueous solution, pH 8.0, autoclaved; Ethylenediaminetetraacetic acid, BioUltra, anhydrous, >=99% (titration); Glycine, N,N'-1, {2-ethanediylbis[N-(carboxymethyl)-,} disodium salt; {[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid(EDTA); 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; Ethylenediaminetetraacetic acid, anhydrous, free-flowing, Redi-Dri(TM), >=98%; 124949-23-1; Ethylenediamine-N,N,N inverted exclamation mark ,N inverted exclamation mark -tetraacetic Acid-13C4 (; A-labels); Ethylenediaminetetraacetic acid solution, 0.02% in DPBS (0.5 mM), sterile-filtered, BioReagent, suitable for cell culture; Ethylenediaminetetraacetic acid solution, BioUltra, for molecular biology, pH 8.0, ~0.5 M in H2O; Ethylenediaminetetraacetic acid, anhydrous, crystalline, BioReagent, suitable for cell culture; Ethylenediaminetetraacetic acid, anhydrous, free-flowing, powder, Redi-Dri(TM), ACS reagent, 99.4-100.6%"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42191	DB00974	.	.	292.24	C10H16N2O8	156	316	-5.9	20	4	10	11	"1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)"	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	KCXVZYZYPLLWCC-UHFFFAOYSA-N
DG00847	Cycloserine	6234	"D-cycloserine; cycloserine; 68-41-7; Seromycin; orientomycin; Oxamycin; Cyclo-D-serine; Cyclorin; D-4-amino-3-isoxazolidinone; Cicloserina; Farmiserina; Miroseryn; Tisomycin; Wasserina; Closina; Cycloserinum; D-4-amino-3-isoxazolidone; alpha-Cycloserine; (4R)-4-amino-1,2-oxazolidin-3-one; (+)-4-Amino-3-isoxazolidinone; Miroserina; Tebemicina; Novoserin; (R)-4-AMINOISOXAZOLIDIN-3-ONE; (+)-Cycloserine; Oxamicina; D-(+)-Cycloserine; (4R)-4-aminoisoxazolidin-3-one; PA 94; Cycloserin; Micoserina; PA-94; (R)-4-AMINO-ISOXAZOLIDIN-3-ONE; D-Oxamycin; RO-1-9213; D-CS; E-733-A; 3-Isoxazolidinone, 4-amino-, (4R)-; D-4-Amino-3-isossazolidone; 3-Isoxazolidinone, 4-amino-, (R)-; HSDB 3218; D-Oxamicina; 3-Isoxazolidinone, 4-amino-, d-; K-300; UNII-95IK5KI84Z; I-1431; 3-Isoxazolidinone, 4-amino-, (+)-; NSC 154851; CHEBI:40009; AI3-50153; D-Cycloserine, synthetic; DCS; (R)-(+)-4-Amino-3-isoxazolidinone; CHEMBL771; SC-49088; 95IK5KI84Z; MFCD00005353; CAS-68-41-7; NCGC00016306-01; Oxamicina [Italian]; Cicloserina [Italian]; DSSTox_CID_2870; 3-Isoxazolidinone, 4-amino-, (+)- (8CI); DSSTox_RID_76766; DSSTox_GSID_22870; Cycloserinum [INN-Latin]; Cicloserina [INN-Spanish]; Cycloserine, D-; Closerin; .alpha.-Cycloserine; (R)-Cycloserine; Seromycin (TN); SMR000058313; D-4-Amino-3-isossazolidone [Italian]; R-(+)-Cycloserine; (R)-4-Amino-3-isoxazolidinone; (4R)-4-Amino-3-isoxazolidinone; CYCLOSERINE (D); SR-01000075432; DRG-0195; (R)-(+)-Cycloserine; EINECS 200-688-4; D-amino-3-isoxazolidinone; BRN 0080798; (R)-4-Amino-3-isoxazolidone; NSC-76029; cycloserine-(d); Serine, cyclo-; NSC-154851; 3-Isoxazolidinone, 4-amino-, D; R(+)-4-Amino-3-isoxazolidinone; Cycloserine [USP:INN:BAN:JAN]; 4AX; 3-Isoxazolidinone, 4-amino-, (R); Cycloserine, D(+); D-Cycloserine, powder; Spectrum_000860; 1pb9; Prestwick0_001089; Prestwick1_001089; Prestwick2_001089; Prestwick3_001089; Spectrum2_000084; Spectrum3_000371; Spectrum4_000305; Spectrum5_000797; Lopac-C-1159; Lopac-C-3909; Lopac-C-7005; 3-Isoxazolidinone, 4-amino-, (4R)- (9CI); C 3909; C-9390; C-9400; Lopac0_000252; SCHEMBL34322; BSPBio_001138; BSPBio_002121; KBioGR_000890; KBioSS_001340; 4-27-00-05549 (Beilstein Handbook Reference); MLS000758215; MLS001423962; MLS002548887; BIDD:GT0707; D-Cycloserine synth. BP 88; DivK1c_000098; SPECTRUM1500215; SPBio_000008; SPBio_003029; BPBio1_001252; FA6C7F8B-D080-4EA3-978F-1ECFB5A29D09; GTPL9489; Cycloserine (JP17/USP/INN); 4-Amino-3-isoxazolidinone, D-; DTXSID8022870; HMS500E20; KBio1_000098; KBio2_001340; KBio2_003908; KBio2_006476; KBio3_001341; NINDS_000098; HMS1571I20; HMS1920C06; HMS2051C15; HMS2091I14; HMS2098I20; HMS2232F03; HMS3259L19; HMS3260D06; HMS3715I14; NJ-21; Pharmakon1600-01500215; (R)-3-Isoxazolidinone, 4-amino-; 4-Amino-3-isoxazolidinone, (R)-; ACT04767; HY-B0030; Tox21_110361; Tox21_500252; BDBM50038178; BDBM50103516; CCG-39705; D-Cycloserine, >=96.0% (NT); LMPK14000007; NSC756712; s1998; ZINC34676245; 4-Isoxazolidinamine, 3-oxo-, (D)-; AKOS015994626; Tox21_110361_1; AC-4721; DB00260; HS-0079; LP00252; MCULE-4212827696; NC00050; NC00676; NSC-756712; SDCCGSBI-0050240.P005; IDI1_000098; SMP1_000167; NCGC00015213-01; NCGC00015213-02; NCGC00015213-03; NCGC00016306-02; NCGC00016306-03; NCGC00016306-04; NCGC00016306-05; NCGC00016306-07; NCGC00016306-08; NCGC00016306-17; NCGC00093713-01; NCGC00093713-02; NCGC00260937-01; CAS-339-72-0; K138; SBI-0050240.P004; AB00443920; EU-0100252; C08057; D00877; AB00443920_09; AB00443920_10; 005C353; A836140; Q418508; SR-01000759389; SR-01000075432-1; SR-01000075432-2; SR-01000075432-5; SR-01000075432-9; SR-01000759389-4; SR-01000075432-10; F2173-1228; Z1522567171; Cycloserine, United States Pharmacopeia (USP) Reference Standard; Cycloserine, Pharmaceutical Secondary Standard; Certified Reference Material; (4R)-4-azaniumyl-4,5-dihydroisoxazol-3-olate;(R)-4-AMINOISOXAZOLIDIN-3-ONE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40009	DB00260	DR00197	.	102.09	C3H6N2O2	64.4	92.9	-1.5	7	2	3	0	"1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1"	C1[C@H](C(=O)NO1)N	DYDCUQKUCUHJBH-UWTATZPHSA-N
DG00850	Mestranol	6291	"Mestranol; 72-33-3; Norquen; Menophase; Devocin; Ovastol; Ethynylestradiol 3-methyl ether; EE3ME; Mestranolum; 3-Methoxyethynylestradiol; EE(sub3)ME; Ethynylestradiol methyl ether; 3-Methylethynylestradiol; 3-O-Methylethynylestradiol; Compound 33355; Inostral; 3-Methylethynyloestradiol; 3-Methoxyethynyloestradiol; 3-Methoxy-17alpha-ethynylestradiol; SC 4725; 17-Ethynyloestradiol 3-methyl ether; UNII-B2V233XGE7; component of Norinyl; component of Ortho-Novum; (8R,9S,13S,14S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol; EE3-ME; Ethinylestradiol 3-methyl ether; Ethinyloestradiol 3-methyl ether; Ethynyloestradiol 3-methyl ether; MLS000028595; B2V233XGE7; CHEBI:6784; 17-Ethynylestradiol 3-methyl ether; component of Ovulen; component of Norquen; delta-MVE; 17alpha-Ethynylestradiol 3-methyl ether; (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol; Inostral (steroid); Mestranolo [DCIT]; NCGC00093347-02; Mestranolo; SMR000059128; (17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol; DSSTox_CID_814; DSSTox_RID_75804; DSSTox_GSID_20814; Mestranolum [INN-Latin]; Caswell No. 547A; .delta.-MVE; 17alpha-Ethinyl estradiol 3-methyl ether; 17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol; 3-Methoxy-17alpha-ethinylestradiol; 3-Methoxy-17alpha-ethinyloestradiol; 3-Methoxy-17alpha-ethynyloestradiol; 3-Methoxy-17-alpha-ethinylestradiol; 3-Methoxy-17-alpha-ethynylestradiol; 17alpha-Ethynylestradiol methyl ether; 3-Methoxy-17-alpha-ethinyloestradiol; 3-Methoxy-17-alpha-ethynyloestradiol; CCRIS 377; 17-alpha-Ethynyloestradiol methyl ether; 17alpha-Ethinylestradiol 3-methyl ether; 8027 C. B.; 17alpha-Ethynyloestradiol 3-methyl ether; 3-Methoxy-17-ethynyloestradiol-17-beta; Mestranol [Steroidal oestrogens]; 17alpha-Ethinyl oestradiol 3-methyl ether; HSDB 3588; 17-alpha-Ethinyl estradiol 3-methyl ether; 17-alpha-Ethinyl oestradiol 3-methyl ether; EINECS 200-777-8; NSC 84032; EPA Pesticide Chemical Code 115401; 17beta-Estradiol, 17-ethynyl-, 3-(methyl ether); BRN 2625905; NSC84032; 17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol; AI3-51798; NSC-84032; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-estratrien-17beta-ol; 3-Methoxy-17alpha-ethynyl-1,3,5(10)-oestratrien-17beta-ol; 17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-estratrien-17-beta-ol; 3-Methoxy-17-alpha-ethynyl-1,3,5(10)-oestratrien-17-beta-ol; CAS-72-33-3; 3-Methoxy-17-alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; 3-Methoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol; 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-; Prestwick_966; Mestranol, 99%; Mestranol [USAN:USP:INN:BAN:JAN]; EEI3ME; Estra-1,3,5(10)-trien-17beta-ol, 17-ethynyl-3-methoxy-; Opera_ID_872; 17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; Estra-1,3,5(10)-trien-17-beta-ol, 17-alpha-ethynyl-3-methoxy-; Prestwick0_000846; Prestwick1_000846; Prestwick2_000846; Prestwick3_000846; (+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene; (17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol; 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17-ol; EE-3ME; EE3 ME; (+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene; 17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene; 17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene; 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene-3-methyl ether; SCHEMBL41391; BSPBio_000831; MLS001077321; MLS001424224; BIDD:ER0199; SPBio_002752; Mestranol (JP17/USP/INN); BPBio1_000915; ethynylestradiol-3-methyl ether; GTPL7087; 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol; CHEMBL1201151; DTXSID0020814; 17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol; 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol; HMS1570J13; HMS2051J22; HMS2097J13; HMS2230L20; HMS3714J13; HY-B0390; ZINC3815424; Tox21_111200; Tox21_301837; 17-alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-; 4-Cyano-3-fluorophenyl4-butylbenzoate; AKOS005267152; Tox21_111200_1; CCG-101067; DB01357; MCULE-6161762887; NC00317; NCGC00093347-03; NCGC00093347-05; NCGC00093347-07; NCGC00179410-01; NCGC00255342-01; AC-13293; AS-56063; H072; S2125; Mestranol, VETRANAL(TM), analytical standard; C07618; C76306; D00575; 003M689; Q904308; SR-01000695429; SR-01000695429-4; BRD-K31920458-001-03-8; BRD-K31920458-001-23-6; Mestranol, European Pharmacopoeia (EP) Reference Standard; (17beta)-17-ethynyl-3-methoxyestra-1(10),2,4-trien-17-ol; Mestranol, United States Pharmacopeia (USP) Reference Standard; 17.Alpha.-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-meth; (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene; (+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene; (+ )-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-oestratriene; (+)-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-estratriene; (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol; (8R,13S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6784	DB01357	.	DR1034	310.4	C21H26O2	29.5	519	4	23	1	2	2	"1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC	IMSSROKUHAOUJS-MJCUULBUSA-N
DG00851	Tryptophan	6305	"L-tryptophan; tryptophan; 73-22-3; L-Tryptophane; h-Trp-oh; (S)-Tryptophan; Tryptophane; Optimax; trofan; tryptacin; Ardeytropin; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; Pacitron; Indole-3-alanine; Kalma; L-beta-3-Indolylalanine; L-Tryptofan; L-Trp; L-(-)-Tryptophan; 3-Indol-3-ylalanine; Tryptan; Lyphan; Tryptophan (VAN); 1-beta-3-Indolylalanine; Tryptophan (H-3); Triptofano [Spanish]; Tryptophanum [Latin]; 1H-Indole-3-alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoic acid; L(-)-Tryptophan; triptofano; Tryptophanum; (S)-alpha-Amino-1H-indole-3-propanoic acid; Tryptophane [French]; Tryptophan, L-; (L)-TRYPTOPHAN; (-)-Tryptophan; alpha'-Amino-3-indolepropionic acid; Tryptophan [USAN:INN]; L-alpha-amino-3-indolepropionic acid; L-alpha-Aminoindole-3-propionic acid; Sedanoct; (S)-alpha-Aminoindole-3-propionic acid; 1H-Indole-3-alanine (VAN); EH 121; trp; Alanine, 3-indol-3-yl-; (S)-2-Amino-3-(3-indolyl)propionic acid; CCRIS 617; L-Alanine, 3-(1H-indol-3-yl)-; 1H-Indole-3-alanine, (S)-; alpha-Amino-3-indolepropionic acid, L-; HSDB 4142; (S)-alpha-amino-beta-(3-indolyl)-propionic acid; NCI-C01729; AI3-18478; UNII-8DUH1N11BX; Indole-3-propionic acid, alpha-amino-; 1H-Indole-3-propanoic acid, alpha-amino-, (S)-; Propionic acid, 2-amino-3-indol-3-yl-; CHEBI:16828; Lopac-T-0254; MFCD00064340; 8DUH1N11BX; (S)-alpha-Amino-beta-indolepropionic acid; CHEMBL54976; (S)-2-Amino-3-(1H-indol-3-yl)propanoic acid; DSSTox_CID_1419; DSSTox_RID_76152; DSSTox_GSID_21419; l-b-3-Indolylalanine; D-Trp-OH; CAS-73-22-3; Propionic acid, 2-amino-3-indol-3-yl; L-Tryptophan (9CI); Tryptophan (USP/INN); (S)-a-Amino-b-indolepropionic acid; (S)-a-Aminoindole-3-propionic acid; Alanine, 3-indol-3-yl; EINECS 200-795-6; NSC 13119; (2S)-2-amino-3-(1H-indol-3-yl)propanoate; trytophan; (S)-a-Amino-1H-indole-3-propanoic acid; TRP-01; Trytophan-; 2-amino-3-indol-3-ylpropanoic acid; L-Trytophan; NSC-13119; 1qaw; L-Tryptophan,(S); L-Trp-OH; 2a4m; H-L-Trp-OH; L-Tryptophan (JP17); S(-)-1-alpha-Aminoindole-3-propionic acid; Tryptophan ((-),l,s); Tryptophan (L-Tryptophan); Tryptophan, L- (8CI); bmse000050; bmse000868; bmse001017; Epitope ID:136043; EC 200-795-6; T 0254; SCHEMBL7328; 2-Amino-3-indolylpropanoate; (S)-(-)-2-Amino-3-(3-indolyl)propionic Acid; (S)-1H-Indole-3-alanine; Lopac0_001183; GTPL717; MLS001056750; DivK1c_000457; (s)-a-amino-b-indolepropionate; 151A3008-4CFE-40C9-AC0B-467EF0CB50EA; DTXSID5021419; (S)-a-Aminoindole-3-propionate; BDBM21974; HMS501G19; KBio1_000457; ZINC83315; 3-(1H-indol-3-yl)-L-Alanine; L-a-Amino-3-indolepropionic acid; NINDS_000457; alpha-Aminoindole-3-propionic acid; HMS3263N07; Pharmakon1600-01500600; ACT08662; HY-N0623; L-Tryptophan, Cell Culture Reagent; STR02722; (S)-alpha-Aminoindole-3-propionate; Tox21_201246; Tox21_300359; Tox21_501183; HTS001390; NSC757373; s3987; (s)-alpha-amino-beta-indolepropionate; L-Tryptophan, Vetec(TM), 98.5%; (S)-a-Amino-1H-indole-3-propanoate; AKOS015854052; Indoe-3-propionic acid, alpha-amino-; 2-Chloro-5-(methylsulfonyl)benzoicacid; AM82273; CCG-205257; CS-W020011; DB00150; LP01183; MCULE-8004234494; NSC-757373; SDCCGSBI-0051150.P002; IDI1_000457; NCGC00015994-01; NCGC00094437-01; NCGC00094437-02; NCGC00094437-03; NCGC00094437-04; NCGC00094437-08; NCGC00254424-01; NCGC00258798-01; NCGC00261868-01; (S)-alpha-Amino-1H-indole-3-propanoate; AC-17050; BP-13286; SMR000326686; TS-04426; DB-029986; L-Tryptophan, BioUltra, >=99.5% (NT); A7403; EU-0101183; T0541; (S)-Tryptophan 1H-Indole-3-alanine, (S)-; 73T223; C00078; D00020; L-Tryptophan, reagent grade, >=98% (HPLC); M02943; P16427; AB00373874_05; L-Tryptophan, Vetec(TM) reagent grade, >=98%; (S)-2-amino-3-(1H-Indol-3-yl)-propionic acid; A837752; Q181003; SR-01000075590; 4-(3-METHOXYANILINO)-4-OXOBUT-2-ENOICACID; SR-01000075590-1; F0001-2364; Z1245635763; L-Tryptophan, certified reference material, TraceCERT(R); Tryptophan, European Pharmacopoeia (EP) Reference Standard; UNII-0O72R8RF8A component QIVBCDIJIAJPQS-VIFPVBQESA-N; UNII-N7U7BXP2OI component QIVBCDIJIAJPQS-VIFPVBQESA-N; UNII-X9U7434L7A component QIVBCDIJIAJPQS-VIFPVBQESA-N; L-Tryptophan, United States Pharmacopeia (USP) Reference Standard; 80206-30-0; L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; L-Tryptophan, PharmaGrade, Ajinomoto, EP, JP, USP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16828	DB00150	DR00086	DR0991	204.22	C11H12N2O2	79.1	245	-1.1	15	3	3	3	"1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1"	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N	QIVBCDIJIAJPQS-VIFPVBQESA-N
DG00856	Proflavine	7099	"Proflavine; acridine-3,6-diamine; Proflavin; 92-62-6; 3,6-Diaminoacridine; 3,6-ACRIDINEDIAMINE; Isoflav base; Proflavine hemisulfate; Proflavina; Proflavinum; 2,8-Diaminoacridinium; Acridine, 3,6-diamino-; 3,6-Diaminoacridinium; 3,7-Diamino-5-azaanthracene; 2,8-Diaminoacridine; UNII-CY3RNB3K4T; 1811-28-5; Proflavine (hemisulfate); CY3RNB3K4T; CHEBI:8452; Proflavine [INN]; Profura; Progarmed; Proflavinum [INN-Latin]; PRL; Proflavina [INN-Spanish]; Proflavin hemisulfate;3,6-Diaminoacridine hemisulfate; 2,8-Diaminoacridine (European); CCRIS 1244; MFCD00149650; HSDB 7071; NCGC00166245-01; EINECS 202-172-4; BRN 0166050; AI3-52128; 1bcu; 1qvt; 1qvu; 3,6-Acridinediamine hydrochloride; 3,6-diaminoacridin; 3,6-Diaminoacridine hemisulfate salt; proflavine-hemisulfate; NCIMech_000209; SCHEMBL27386; 5-22-11-00322 (Beilstein Handbook Reference); AE-562/12222295; CHEMBL55400; Proflavine;3,6-Diaminoacridine; SCHEMBL8149677; YSCH0132; DTXSID9043776; BDBM12590; WDVSHHCDHLJJJR-UHFFFAOYSA-; 2v57; Proflavine hemisulfate salt hydrate; 3,6-diamino acridine hydrochloride; ALBB-024962; HY-B1741; ZINC3775644; MFCD00005030; STK380650; AKOS005449844; AT13412; CCG-339542; DB01123; MCULE-9362278105; NCGC00166245-02; NCI60_004643; NCI60_004767; NCI60_032077; CS-0013756; S5776; AB00375967-03; AB00375967_04; (6-aminoacridin-3-yl)amine;sulfuric acid;hydrate; A909942; Q420454; SR-01000883943; SR-01000883943-1; UNII-1T3A50395T component WDVSHHCDHLJJJR-UHFFFAOYSA-N"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8452	DB01123	.	.	209.25	C13H11N3	64.9	232	1.8	16	2	3	0	"1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2"	C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N	WDVSHHCDHLJJJR-UHFFFAOYSA-N
DG00860	Azacitidine	9444	"5-azacytidine; Azacitidine; 320-67-2; Ladakamycin; Azacytidine; Vidaza; Mylosar; 5-azacitidine; Azacitidinum; Azacitidina; Azacitidinum [INN-Latin]; 5-AZAC; Azacitidina [INN-Spanish]; NSC-102816; C8H12N4O5; NSC 102816; U-18496; 4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one; UNII-M801H13NRU; NSC102816; 5AzaC; 4-Amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1H)-one; Antibiotic U 18496; CHEBI:2038; M801H13NRU; 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; MFCD00006539; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one; WR-183027; NCGC00090851-04; DSSTox_CID_116; U 18496; DSSTox_RID_75378; DSSTox_GSID_20116; U-18,496; CCRIS 60; SMR000857239; Vidaza (TN); HSDB 6879; 5-aza-CR; SR-01000075662; EINECS 206-280-2; BRN 0620461; Onureg; Azacitidine (JAN/USAN/INN); Azacitidine [USAN:INN:BAN]; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-traizin-2(1H)-one; NS-17; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one; CAS-320-67-2; Azacitidine (Vidaza); 2-(beta-D-Ribofuranosyl)-4-amino-1,3,5-triazin-2-one; Antibiotic U18496; U18496; Spectrum_001262; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazine-2(1H)-one; Spectrum2_000786; Spectrum3_001509; Spectrum4_000922; Spectrum5_001166; MolMap_000062; A 2385; SCHEMBL3741; CHEMBL1489; Azacitidine (5-Azacytidine); Lopac0_000035; BSPBio_003157; KBioGR_001444; KBioGR_002556; KBioSS_001742; KBioSS_002565; MLS001333121; MLS001333122; MLS002153249; MLS002548894; DivK1c_000125; SPECTRUM1502111; SPBio_000892; GTPL6796; DTXSID9020116; BCBcMAP01_000083; HMS500G07; KBio1_000125; KBio2_001742; KBio2_002556; KBio2_004310; KBio2_005124; KBio2_006878; KBio2_007692; KBio3_002657; KBio3_003034; NMUSYJAQQFHJEW-KVTDHHQDSA-; pyrimidine antimetabolite: inhibits nucleic acid replication; cMAP_000082; NINDS_000125; HMS1921J22; HMS2092D08; HMS2231F15; HMS3259D19; HMS3260G11; Pharmakon1600-01502111; ZINC3861768; 5-Azacytidine, >=98% (HPLC); Tox21_111032; Tox21_302985; Tox21_500035; BDBM50424715; CCG-39046; NSC758186; s1782; Onureg (CC-486; oral azacitidine); AKOS015896938; Tox21_111032_1; AM83944; CS-1287; DB00928; LP00035; MCULE-8318770472; NC00672; NSC-758186; NSC103-627; 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triaz; IDI1_000125; NCGC00090851-01; NCGC00090851-02; NCGC00090851-03; NCGC00090851-05; NCGC00090851-06; NCGC00090851-07; NCGC00090851-08; NCGC00090851-10; NCGC00090851-14; NCGC00090851-22; NCGC00178234-01; NCGC00256541-01; NCGC00260720-01; AS-13697; HY-10586; SRI-10756_10; SRI-10756_12; WR183027; DB-006955; SL-000003; EU-0100035; D03021; F10504; J10124; 320A672; A821115; Q416451; J-700085; SR-01000075662-1; SR-01000075662-3; SR-01000075662-7; BRD-K03406345-001-02-1; BRD-K03406345-001-27-8; 4-Amino-1- -D-ribofuranosyl-1,3,5-triazin-2(1H)-one; Z1522566611; 4-Amino-1-(bet.-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; 4-Amino-1-beta-D-ribofuranosyl-1,3,5-tr iazin-2(1H)-one; s-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl- (8CI); Azacitidine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one; Ladakamycin; Azacitidine, Pharmaceutical Secondary Standard; Certified Reference Material; 1401238-97-8; 5-Azacytidine, Hybri-Max(TM), gamma-irradiated, lyophilized powder, BioXtra, suitable for hybridoma; 5AE; 6-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,3,5-triazin-3-ium-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2038	DB00928	DR00983	DR0163	244.2	C8H12N4O5	141	384	-2.2	17	4	5	2	"1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1"	C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	NMUSYJAQQFHJEW-KVTDHHQDSA-N
DG00865	Melarsoprol	10311	"MELARSOPROL; 494-79-1; Mel B; Arsobal; Melarsoprolum [INN-Latin]; EINECS 207-793-4; RP 3854; CHEBI:6729; [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol; RP-3854; Melarsoprolum; (2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-1,3,2-dithiarsolan-4-yl)methanol; (2-{4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl}-1,3,2-dithiarsolan-4-yl)methanol; Melarsoprol [INN:BAN:DCF]; Specia; UNII-ZF3786Q2E8; Melarsoprol (INN); Mel B (TN); CHEMBL166; 1,3,2-Dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-; SCHEMBL61707; DTXSID90862033; ZF3786Q2E8; DB12864; 2-(p-(4,6-Diamino-s-triazin-2-ylamino)phenyl)-1,3,2-dithiarsolane-4-methanol; C08001; D00832; Q419753; 2-[4-{(4,6-Diamino-1,3,5-triazin-2-yl)amino}phenyl]-1,3,2-dithiarsolan-e-4-methanol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6729	DB12864	.	.	398.3	C12H15AsN6OS2	174	353	.	22	4	9	4	"1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)"	C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO	JCYZMTMYPZHVBF-UHFFFAOYSA-N
DG00867	Medroxyprogesterone	10631	"Medroxyprogesterone; 520-85-4; Medroxyprogesteron; Medroxiprogesteronum; Medroxiprogesterona; Medroxyprogesteronum; 17-Hydroxy-6alpha-methylprogesterone; Hydroxymethylprogesterone; Medrossiprogesterone; 17alpha-Hydroxy-6alpha-methylprogesterone; 6alpha-Methyl-17alpha-hydroxyprogesterone; 6alpha-Methyl-4-pregnen-17alpha-ol-3,20-dione; 17-Hydroxy-6alpha-methyl-pregn-4-ene-3,20-dione; UNII-HSU1C9YRES; Medroxy Progesterone; U 8840; (6alpha)-17-hydroxy-6-methylpregn-4-ene-3,20-dione; HSU1C9YRES; (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; Pregn-4-ene-3,20-dione, 17-hydroxy-6-alpha-methyl-; MLS000069571; CHEBI:6715; 17alpha-Hydroxy-6alpha-methyl-4-pregnene-3,20-dione; SMR000058769; Medrossiprogesterone [DCIT]; NSC 27408; DSSTox_CID_16508; DSSTox_RID_79284; DSSTox_GSID_36508; Medroxyprogesteronum [INN-Latin]; Medroxiprogesterona [INN-Spanish]; Medroxyprogesterone [INN:BAN]; 17-Hydroxy-6.alpha.-methylprogesterone; 6-Dihydromegestrol; CAS-520-85-4; 17.alpha.-Hydroxy-6.alpha.-methylprogesterone; 6.alpha.-Methyl-17.alpha.-hydroxyprogesterone; HSDB 3114; 6-alpha-Methyl-17-alpha-hydroxyprogesterone; MLS002639162; EINECS 208-298-6; Farlutal inyectable (TN); Medroxyprogesterone (INN); BRN 2510965; NCGC00183122-01; CPD000058769; Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6alpha)-; Opera_ID_433; CHEMBL1390; 6alpha-Methyl-5-pregnen-17alpha-ol-3,20-dione; SCHEMBL37494; 4-08-00-02211 (Beilstein Handbook Reference); MLS001076098; MLS001424229; GTPL2879; DTXSID0036508; 17-Hydroxy-6a-methylprogesterone; HMS2052A13; HMS2230B08; HY-B0648; NSC27408; ZINC5763835; Tox21_113401; 3808AH; LMST02030176; MFCD00069474; s3635; AKOS015961681; Tox21_113401_1; CCG-101111; NC00361; MRF-0000022; NCGC00023064-04; NCGC00023064-05; AC-14528; M3113; 17; A-Hydroxy-6; A-methylprogesterone;U8840; Medroxyprogesterone acetate Related Compound B; C07119; C75441; D08166; Pregn-4-ene-3, 17-hydroxy-6.alpha.-methyl-; 520M854; A899740; Q416667; (6 )-17-Hydroxy-6-methylpregn-4-ene-3,20-dione; Medroxyprogesterone, VETRANAL(TM), analytical standard; Pregn-4-ene-3, 17-hydroxy-6-methyl-, (6.alpha.)-; Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6alpha)- (9CI); Pregn-4-ene-3,20-dione, 17-hydroxy-6-methyl-, (6-alpha)- (9CI); (6S,8R,10R,13S,17R)-17-Acetyl-17-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one; (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one; Medroxyprogesterone acetate Related Compound B, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6715	.	.	.	344.5	C22H32O3	54.4	664	3.5	25	1	3	1	"1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1"	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C	FRQMUZJSZHZSGN-HBNHAYAOSA-N
DG00883	Cladribine	20279	"Cladribine; 2-Chloro-2'-deoxyadenosine; 4291-63-8; Leustatin; 2-Chlorodeoxyadenosine; 2-CdA; Chlorodeoxyadenosine; CldAdo; ADENOSINE, 2-CHLORO-2'-DEOXY-; Litak; 2-Chloro-2'-deoxy-beta-adenosine; Cladaribine; RWJ 26251; 2-chloro-deoxyadenosine; 2ClAdo; UNII-47M74X9YT5; MLS000028377; 2CdA; Cladarabine; RWJ-26251; (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; Leustat; SMR000058553; (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine; CHEBI:567361; 47M74X9YT5; MFCD00153939; NSC-105014; Movectro; Mylinax; DSSTox_CID_2828; DSSTox_RID_76747; DSSTox_GSID_22828; cladribina; cladribinum; mavenclad; Leustatin (TN); CL9; CAS-4291-63-8; 2 Chlorodeoxyadenosine; SR-01000003063; NSC 105014; BRN 0624220; Cladiribine; CCRIS 9374; Adenosine, 2-chloro-2'-deoxy; HSDB 7564; 2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine; Cladribine [USAN:USP:INN:BAN]; Mavenclad (TN); NCGC00018167-03; Cladribine- Bio-X; S1199; RWJ-26251-000; Opera_ID_1191; SCHEMBL3775; CHEMBL1619; Cladribine (JAN/USP/INN); 2-chloro-2'-deoxy-adenosine; cid_20279; MLS000028484; MLS000759397; MLS001077345; MLS001424194; GTPL4799; DTXSID8022828; BDBM38920; HMS2052K13; HMS2232C23; HMS3715F17; ACT02615; AMY22140; BCP02868; ZINC3798064; Tox21_110834; Tox21_300596; NSC-05014; NSC-105014-F; AKOS015854898; AKOS015892544; AC-7591; BCP9000538; CCG-101116; CS-2057; DB00242; NC00366; NCGC00022567-05; NCGC00022567-06; NCGC00022567-07; NCGC00022567-08; NCGC00164384-01; NCGC00254518-01; 2-Chloro-2'-deoxyadenosine, antileukemic; AS-12366; BC164318; BP-25407; HY-13599; SW197746-4; D01370; AB00382963-17; AB00382963_19; 291C638; A826062; Q414030; 2-Chloro-2 inverted exclamation marka-deoxyadenosine; SR-01000003063-7; SR-01000003063-10; Cladribine, European Pharmacopoeia (EP) Reference Standard; 6-amino-2-chloro-9-(2-deoxy-beta-erythropentofuranosyl)purine; Cladribine, United States Pharmacopeia (USP) Reference Standard; 6-amino-2-chloro-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine; (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxalan-3-ol; (2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; Cladribine for peak identification, European Pharmacopoeia (EP) Reference Standard; 2-Chloro-2'-deoxyadenosine;(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 24757-90-2; Leustatin; ; ; 2-Chloro-2'-deoxyadenosine; ; ; 2-CdA; ; ; NSC-105014-F; ; ; (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:567361	DB00242	DR00087	DR1918	285.69	C10H12ClN5O3	119	338	0.8	19	3	7	2	"1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	PTOAARAWEBMLNO-KVQBGUIXSA-N
DG00888	Zalcitabine	24066	"Zalcitabine; Dideoxycytidine; 7481-89-2; 2',3'-DIDEOXYCYTIDINE; ddCyd; HIVID; Cytidine, 2',3'-dideoxy-; ddC; Zalcitibine; 4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; NSC 606170; Ro 24-2027/000; UNII-6L3XT8CB3I; CHEMBL853; 6L3XT8CB3I; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; CHEBI:10101; MFCD00012188; NCGC00090705-08; DSSTox_CID_3747; NSC-606170; 4-AMINO-1-[(2R,5S)-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1,2-DIHYDROPYRIMIDIN-2-ONE; DSSTox_RID_77182; DSSTox_GSID_23747; 2,3-dideoxycytidine; NSC606170; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; SMR000058253; CCRIS 692; Hivid(TM); Hivid (TN); HSDB 7156; Interferon AD + ddC; ddC & GM-CSF; ddC & sCD4; PC-SOD & ddC; Ro-24-2027/000; DDC (DDC); BRN 0654956; Zalcitabine (JAN/USP/INN); DS-4152 & ddC; 1-(2,3-Dideoxy-beta-D-ribofuranosyl)cytosine; ddC & NP (from PHCA or HSA); SRI-7707; Zalcitabine [USAN:USP:INN:BAN]; CAS-7481-89-2; Zalcitabine- Bio-X; KS-1130; ddC & IFN.alpha.; .beta.-D-DDC; dideoxycytidine (DDC); 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Prestwick0_001037; Prestwick1_001037; Prestwick2_001037; Prestwick3_001037; ddC & Interferon.alpha.; 2', 3'-dideoxycytidine; bmse000712; UPCMLD-DP115; D 5782; SCHEMBL3598; TimTec1_004969; Lopac0_000360; BSPBio_001253; 3'-Azido-3'-deoxythymidine/2',3'-Dideoxycytidine; 5-25-14-00313 (Beilstein Handbook Reference); MLS000069636; MLS000759540; MLS001055363; MLS001424210; MLS006011951; SPBio_003104; BPBio1_001378; GTPL4828; ddC; ; ; 2',3'-Dideoxycytidine; DTXSID0023747; UPCMLD-DP115:001; ZINC39906; 2',3'-Dideoxycytidine & sCD4(soluble recombinant protein); AOB5609; HMS1548B19; HMS1571O15; HMS2051H18; HMS2090C12; HMS2098O15; HMS2236N08; HMS3261G21; HMS3715O15; Pharmakon1600-01502360; .beta.-D-2',3'-Dideoxycytidine; Zalcitabine, 2'3'-Dideoxycytidine; BCP13878; Tox21_113491; Tox21_201655; Tox21_303169; Tox21_500360; AC-824; BDBM50145605; Lecithinized superoxide dismutase & .beta.-D-2',3'-Dideoxycytidine; NSC759655; s1719; Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxycytidine; AKOS015854844; AKOS015894505; Tox21_113491_1; CCG-101050; CS-1110; DB00943; LP00360; MCULE-6071296177; NC00300; NSC-759655; SDCCGSBI-0050348.P002; 2',3'-Dideoxycytidine & Nanoparticles (from human serum albumin or polyhexylcyanoacrylate); SRI-7707-13; SRI-7707-14; SRI-7707_15; SRI-7707_17; NCGC00090705-01; NCGC00090705-02; NCGC00090705-03; NCGC00090705-05; NCGC00090705-06; NCGC00090705-07; NCGC00090705-09; NCGC00090705-10; NCGC00090705-11; NCGC00090705-13; NCGC00090705-15; NCGC00090705-24; NCGC00090705-25; NCGC00179242-01; NCGC00257202-01; NCGC00259204-01; NCGC00261045-01; BD164564; HY-17392; K278; ddC;Dideoxycytidine;2',3'-Dideoxycytidine; 2',3'-Dideoxycytidine & Interferon.alpha.; 2',3'-Dideoxycytidine, >=98% (HPLC); DB-019728; Ro-242027000; D3581; EU-0100360; Ro-24-2027000; SW197364-4; 2',3'-Dideoxycytidine, >=99.0% (HPLC); C07207; C76390; D00412; Cytidine, 2',3'-dideoxy- & Interferon.alpha.; 481D892; A838234; SR-01000075822; SR-01000736919; J-700276; Q-201941; Q2344582; SR-01000075822-1; SR-01000736919-5; Cytidine, 2',3'-dideoxy- & Colony-stimulating factor; Ro-242027000/Ro-24-2027-000; Z1550648753; Zalcitabine, United States Pharmacopeia (USP) Reference Standard; 4-Amino-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one; .beta.-D-2',3'-Dideoxycytidine & Granulocyte-macrophage colony-stimulating factor"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:10101	DB00943	DR00175	DR1724	211.22	C9H13N3O3	88.2	327	-1.3	15	2	3	2	"1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1"	C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N	WREGKURFCTUGRC-POYBYMJQSA-N
DG00890	Stanozolol	25249	"Stanozolol; Winstrol; Androstanazole; Androstanazol; 10418-03-8; Stromba; Stanazolol; Tevabolin; Winstrol Depot; Strombaject; Estazol; Winstroid; Winstrol V; Estanozolol; Stanozololum; WIN 14833; Anabol; UNII-4R1VB9P8V3; Androstanazolestanazol; NSC 233046; 4R1VB9P8V3; CHEBI:9249; 17-Methyl-2'H-5alpha-androst-2-eno(3,2-c)pyrazol-17beta-ol; NSC-43193; WIN-14833; (1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol; Stanozolo [DCIT]; Androstanazole (VAN); Stanozolo; Stanozolol (1'H form); Winstrol-V; Stanozololum [INN-Latin]; Estanozolol [INN-Spanish]; (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5-dien-17-ol; Cyclopenta(7,8)phenanthro(2,3-c)pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-; HSDB 3185; SR-05000001522; Stanozolol (2'H form); 17 -Methyl-5 -androstano[3,2-c]pyrazol-17 -ol; EINECS 233-894-8; NSC 43193; Stanozolol ciii; NSC-233046; Winstrol (TN); 2'H-Androst-2-eno(3,2-c)pyrazol-17-ol, 17-methyl-, (5alpha,17beta)-; Winstrol; ; ; Stanabol; 17-Methyl-5alpha-androstano(3,2-c)pyrazol-17beta-ol; 302-96-5; Stanozolol [USAN:USP:INN:BAN:JAN]; 17-beta-Hydroxy-17-alpha-methylandrostano(3,2-c)pyrazole; 17beta-Hydroxy-17alpha-methyl-androstano(3,2-c)pyrazole; 17-Methyl-pyrazolo(4',3':2,3)-5alpha-androstan-17beta-ol; 17-Methylpyrazolo(4',3':2,3)-5alpha-androstan-17beta-ol; 17beta-Hydroxy-17-methyl-5alpha-androstano(3,2-c)pyrazole; 17alpha-Methyl-17beta-hydroxy-5alpha-androstano(3,2-c)pyrazole; 2'H-5alpha-Androst-2-eno(3,2-c)pyrazol-17beta-ol, 17-methyl-; 2,3-(4',3'-Pyrazolo)-5alpha-androstan-17beta-ol, 17-methyl-; DSSTox_CID_24128; DSSTox_RID_97564; stanozolol--dea schedule iii; DSSTox_GSID_44128; SCHEMBL44099; SCHEMBL44100; Stanozolol (JAN/USP/INN); 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-Hexadecahydro-1,10a,12a-trimethylcyclopenta(7,8)-phenanthro(2,3-c)pyrazol-1-ol; MLS001424321; Stanozolol, analytical standard; CHEMBL2079587; DTXSID3044128; GTPL10369; HMS2052H11; HMS2090P03; HMS3713K06; BCP12548; HY-B0899; NSC43193; WIN14833; ZINC4097376; Tox21_113993; 1'H-Androstano(3,2-c)pyrazol-17-ol, 17-methyl-, (5-alpha,17-beta)-; AKOS005067278; Stanozolol 1.0 mg/ml in Acetonitrile; AM84316; CCG-101186; CCG-220452; CS-4363; DB06718; MCULE-6473940948; NC00436; NCGC00344550-01; (1S,3aS,3bR,5aS,10aS,10bS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol; AC-16140; AC-33164; AS-35198; CPD000058878; Cyclopenta(7,8)phenanthro(2,3-c)pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-; SMR000058878; CAS-10418-03-8; C07311; D00444; 17-Methyl-5a-androstano[3,2-c]pyrazol-17b-ol; AB00443942-03; AB00443942-05; 418S038; SR-05000001522-1; SR-05000001522-2; W-108823; 17a-Methyl-17b-hydroxy-5a-androstano(3,2-c)pyrazole; 17b-Hydroxy-17-methyl-5a-androstano[3,2-c]pyrazole; 17b-Hydroxy-17a-methyl-5a-androstano[3,2-c]pyrazole; Q63409446; 17-Methyl-pyrazolo[4',3':2,3]-5a-androstan-17b-ol; Z1541662177; 17-Methyl-1'H-5alpha-androstano[3,2-c]pyrazol-17beta-ol; Stanozolol, European Pharmacopoeia (EP) Reference Standard; (5a,17b)-17-methyl-2'H-Androst-2-eno[3,2-c]pyrazol-17-ol; 2,3'-Pyrazolo)-5.alpha.-androstan-17.beta.-ol, 17-methyl-; 5alpha-Androstane-17alpha-methyl-17beta-ol-[3,2-c]pyrazole; 2'H-5a-Androst-2-eno[3,2-c]pyrazol-17b-ol, 17-methyl- (8CI); 17alpha-Methyl-17beta-hydroxy-5alpha-androst-2-eno(3,2-c)-pyrazole; Cyclopenta[7,8]phenanthro[2,3-c]pyrazole, 2'H-androst-2-eno[3,2-c]pyrazol-17-ol deriv.; (1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol; 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-Cyclopenta[7,8]phenanthro[2,3-c]pyrazol-1-ol; 17966-55-1; Cyclopenta[7,3-c]pyrazol-1-ol, 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydro-1,10a,12a-trimethyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9249	DB06718	.	.	328.5	C21H32N2O	48.9	538	4.5	24	2	2	0	"1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C	LKAJKIOFIWVMDJ-IYRCEVNGSA-N
DG00895	Danazol	28417	"Danazol; Danocrine; 17230-88-5; Chronogyn; Winobanin; Danol; Cyclomen; Danazolum; Danzol; Ladogal; Danatrol; Danazol, USP; UNII-N29QWW3BUO; WIN-17757; WIN 17,757; Danazole; N29QWW3BUO; WIN 17757; Danovaol; CHEBI:4315; (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; Danokrin; NCGC00164400-01; Danogen; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-; DSSTox_CID_2880; Danazolum [INN-Latin]; NSC 270916; DSSTox_RID_76772; DSSTox_GSID_22880; Bonzol; Danocrine (TN); SMR000058321; CCRIS 6747; EINECS 241-270-1; Vasaloc; 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol; Optina; Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol, (17alpha)-; 17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol; 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; NSC270916; NSC-270916; Win 17, 757; Prestwick_150; CAS-17230-88-5; Danazol [USAN:USP:INN:BAN:JAN]; ethynyl(dimethyl)[ ]ol; 2,3-Isoxazolethisterone; Prestwick0_000105; Prestwick1_000105; Prestwick2_000105; Prestwick3_000105; CHEMBL1479; SCHEMBL21107; BSPBio_000090; (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol; MLS001066617; MLS001306473; Danazol (JP17/USP/INN); SPBio_002029; BPBio1_000100; GTPL6942; DTXSID2022880; 2,4,17alpha-Pregnadien-20-yno[2,3-d]-isoxa-zol-17-ol; Win-17,757; HMS1568E12; HMS2090A22; HMS2095E12; HMS2231M08; HMS3259M10; HMS3712E12; Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)-; [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol; 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol}; BCP11914; HY-B1029; ZINC3881958; Tox21_112114; Tox21_301940; BDBM50423541; MFCD00056838; s9506; AKOS015961192; Tox21_112114_1; AC-6836; CCG-220105; CS-4547; Danazol 100 microg/mL in Acetonitrile; DB01406; MCULE-5533294331; NC00557; NCGC00179665-01; NCGC00179665-02; NCGC00179665-04; NCGC00255335-01; (1R,3aS,3bR,10aR,10bS,12aS)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol; 1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; AS-13035; H066; C06938; D00289; 230D885; Q419652; SR-01000760722; SR-05000000445; SR-01000760722-2; SR-05000000445-2; W-107864; 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; BRD-K48970916-001-03-0; (17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol; 17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol; 1-(P-TOSYL)-3,4,4-TRIMETHYL-2-IMIDAZOLINIUMIODIDE; 17 alpha-pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol; Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)-; Pregna-2,4-diene-20-yno[2,3-d ]isoxazol-17-ol, (17.alpha.); (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol; 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol; 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole- pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4315	DB01406	.	DR2401	337.5	C22H27NO2	46.3	677	3.8	25	1	3	1	"1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5	POZRVZJJTULAOH-LHZXLZLDSA-N
DG00898	Picrotoxin	31304	"PICROTOXIN; Cocculin; Cocculus; Oriental berry; Indian berry; Fish berry; Coques du levant; Picrotoxinum; 124-87-8; Picrotoxine; Picrotox; Picrotin, compd. with picrotoxinin (1:1); UNII-ZLT174DL7U; Coques du levant [French]; Caswell No. 663A; Picrotoxinin - picrotin; Picrotoxin [NF]; HSDB 6385; Picrotoxinin, compd. with picrotin (1:1); Picrotin, compound with picrotoxinin (1:1); ZLT174DL7U; EINECS 204-716-6; EPA Pesticide Chemical Code 002301; NSC 403139; AI3-17689; GTPL4051; SCHEMBL16319990; DB00466; BP166191; Q416602; 3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-, compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00466	DR00640	.	602.6	C30H34O13	191	1290	.	43	3	13	2	"1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7 ,8 ,9-,13-,14-,15+;6 ,7-,8 ,9 ,10+,13+,14+,15-/m10/s1"	CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O	VJKUPQSHOVKBCO-ZTYBEOBUSA-N
DG00902	Penfluridol	33630	"PENFLURIDOL; 26864-56-2; 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol; Semap; TLP-607; McN-JR-16,341; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol; R-16341; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol; UNII-25TLU22Q8H; R 16341; CHEMBL47050; 25TLU22Q8H; MFCD00866714; 4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-; 4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-; NSC-759179; NCGC00165865-01; DSSTox_CID_28947; DSSTox_RID_83212; DSSTox_GSID_49021; C28H27ClF5NO; R 16,341; Penfluridolum; Penfluridolum [INN-Latin]; CAS-26864-56-2; EINECS 248-074-5; BRN 1558826; Micefal; Penfluridol [USAN:INN:BAN]; Semap (TN); Penfluridol (USAN/INN); R16341; SCHEMBL93939; 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperidinol; 5-21-02-00409 (Beilstein Handbook Reference); MLS004774011; DTXSID5049021; CHEBI:92278; AOB5341; MCN-JR-16341; HMS3264L13; HMS3652G22; Pharmakon1600-01505691; ACT03196; BCP03695; HY-B1077; ZINC4217252; Tox21_113546; BDBM50026066; NSC759179; PDSP1_000470; PDSP2_000468; AKOS005065828; Tox21_113546_1; BCP9000014; CCG-269878; CS-4633; DB13791; KS-5104; NSC 759179; Penfluridol, >=97% (HPLC), powder; 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol; 4-Piperidinol,1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-; NCGC00165865-02; NCGC00165865-03; 4-Piperidinol, 1-(4,4-bis(p-fluorophenyl)butyl)-4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-; 4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-; AC-15413; SMR003500704; BCP0726000159; SBI-0206898.P001; DB-017683; FT-0645031; P2076; S4151; SW219540-1; D02630; AB01566919_01; 864P562; A818637; L001145; SR-05000001779; Q2149707; SR-05000001779-1; W-107147; BRD-K15409150-001-01-7; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperidin-4-ol; 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-piperidin-4-ol; 1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol; 1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-4-piperidinol; 4-Piperidinol, 4-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-; PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:92278	.	.	.	524	C28H27ClF5NO	23.5	647	7.3	36	1	7	7	"1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2"	C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F	MDLAAYDRRZXJIF-UHFFFAOYSA-N
DG00908	Vindesine	40839	"Vindesine; 53643-48-4; vindesine sulfate; Desacetylvinblastine amide; Vincaleukoblastine, 3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-; CHEBI:36373; Desacetylvinblastine amide sulfate; C43H55N5O7; Vindesine (USAN/INN); SCHEMBL4420; methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; CHEMBL219146; DTXSID6023739; HMS2090E15; 3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; EX-A3837; ZINC8214470; STL565153; 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; AKOS037623357; MCULE-7368625095; methyl (5S,7S,9S)-9-[(2b,3b,4b,5a,12b,19a)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate; D06304; AB00698294-03; AB01275494-01; hanoazacycloundecino[5,4-b]indole-9-carboxylate; 643V484; Q416660; Q-100607; BRD-K59753975-065-01-3; methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate; methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate; methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-met"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:36373	DB00309	DR00397	DR1693	753.9	C43H55N5O7	165	1570	2.7	55	5	10	7	"1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O	HHJUWIANJFBDHT-KOTLKJBCSA-N
DG00909	Acarbose	41774	"Acarbose; 56180-94-0; Glucobay; Precose; Acarbosum; Prandase; CHEBI:2376; Bay g 5421; MFCD00869592; BAY-g 5421; C25H43NO18; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; SMR000466376; SR-01000759407; Glucobay;; Prandase;; Precose;; NSC-758915; Acarbose,(S); Precose (TN); Acarbose (JAN/USAN/INN); MLS000759506; MLS001424056; MLS006011898; SPECTRUM1505172; CHEMBL404271; SCHEMBL5316305; CHEMBL3734896; BDBM23406; HMS2051F03; HMS2093I22; HMS2236P06; Pharmakon1600-01505172; C25H43NO18;; BBL030515; BDBM50180587; NSC758915; STK801930; AKOS005622515; CCG-100913; CCG-213345; MCULE-2053937515; MD-0230; NC00163; NCGC00160515-01; SBI-0206777.P001; C06802; D00216; J10300; AB00639959-06; AB00639959_08; Abamectin, Antibiotic for Culture Media Use Only; 180A940; Q-200574; SR-01000759407-4; SR-01000759407-5; SR-01000759407-6; xan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol; BRD-A16444946-001-07-1; (3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol; (3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)o; (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol; 4',6'-Dideoxy-4'-([1S]-[1,4,6/5]-4,5,6-trihydroxy-3-hydroxymethyl-2-yclohexenylamino)-maltotriose; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose; Precose (TN);; WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2122h-1a_1-5][a2122m-1a_1-5_4*NC^SC^SC^SC^RCCO/7=^ZC$3/6O/5O/4O]/1-2-3/a4-b1_b4-c1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2376	DB00284	DR00978	.	645.6	C25H43NO18	321	962	-8.5	44	14	19	9	"1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23 ,24-,25-/m1/s1"	C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	XUFXOAAUWZOOIT-UGEKTDRHSA-N
DG00915	Nicorandil	47528	"NICORANDIL; 65141-46-0; Ikorel; 2-Nicotinamidoethyl nitrate; SG-75; Dancor; Sigmart; Nicorandilum; Adancor; 2-(nicotinamido)ethyl nitrate; 2-(pyridine-3-carbonylamino)ethyl nitrate; SG 75; N-(2-Hydroxyethyl)nicotinamide nitrate; N-(2-Hydroxyethyl)nicotinamide nitrate (ester); Nicorandil (Ikorel); UNII-260456HAM0; CHEBI:31905; N-[2-(NITROOXY)ETHYL]-3-PYRIDINECARBOXAMIDE; 3-PYRIDINECARBOXAMIDE, N-[2-(NITROOXY)ETHYL]-; MFCD00186520; 260456HAM0; NCGC00025357-01; 2-(PYRIDIN-3-YLFORMAMIDO)ETHYL NITRATE; 3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-; DSSTox_CID_25692; DSSTox_RID_81064; DSSTox_GSID_45692; Nicorandilum [INN-Latin]; 2-[(PYRIDIN-3-YLCARBONYL)AMINO]ETHYL NITRATE; 2-(Nicotinamido)ethyl nitrat; SMR000466365; Sigmart (TN); CAS-65141-46-0; PERISALOL; n-(2-(nitrooxy)ethyl)-3-pyridinecarboxamide; SR-01000597534; EINECS 265-514-1; BRN 0481451; Nicorandilo; 3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-; Nicorandil [USAN:INN:BAN:JAN]; Nicorandil- Bio-X; 2-(Pyridine-3-carboxamido)ethyl Nitrate; CPD000466365; RP-46417; n-(2-hydroxyethyl)nicotinamide nitrate ester; N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide; SCHEMBL34547; MLS000759488; MLS001424162; MLS002222323; MLS006010701; CHEMBL284906; GTPL2411; DTXSID8045692; Nicorandil (JP17/USAN/INN); HMS2051N16; HMS2089L12; HMS2095E14; HMS2232A06; HMS3268L19; HMS3371N18; HMS3393N16; HMS3413G17; HMS3655P05; HMS3677G17; HMS3712E14; BCP09434; HY-B0341; ZINC1533102; Tox21_110968; BDBM50247908; s1971; STL445540; AKOS001589705; AKOS015855406; AKOS025149378; Tox21_110968_1; AB04467; AC-4690; CCG-101045; DB09220; HS-0049; MCULE-6145684901; NC00295; NCGC00025357-02; NCGC00025357-04; 2-(pyridine-3-carbylamino) ethyl nitrate; BN164649; H924; FT-0602677; N0837; SW197675-3; D01810; J10427; T72780; AB00639978-08; AB00639978-09; AB00639978_10; AB00639978_11; A834984; Q862989; SR-01000597534-1; SR-01000597534-5; BRD-K97752965-001-01-6; F0005-2298"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31905	DB09220	DR01017	.	211.17	C8H9N3O4	97	228	0.8	15	1	5	4	"1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)"	C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]	LBHIOVVIQHSOQN-UHFFFAOYSA-N
DG00920	Lovastatin	53232	"Lovastatin; 75330-75-5; mevinolin; Mevacor; MK-803; Altoprev; Lovalord; Nergadan; Artein; Monacolin K; 6alpha-Methylcompactin; Lovalip; Lovastatine [French]; Lovastatinum [Latin]; Lovastatina [Spanish]; 6-alpha-Methylcompactin; Mevinacor; Altocor; Mevlor; Sivlor; Hipovastin; Lovasterol; Cholestra; Closterol; Colevix; Hipolip; Lestatin; Lipivas; Lipofren; Lovastin; Lozutin; Paschol; Rodatin; Rovacor; Tecnolip; Teroltrat; Belvas; Lipdip; Taucor; UNII-9LHU78OQFD; MLS000069585; MSD 803; 9LHU78OQFD; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; MK 803; 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone; SMR000058779; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; Lovastatine; CHEBI:40303; L-154803; MFCD00072164; Lovastatin (Mevacor); NSC-758662; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate; HSDB 6534; NCGC00023509-03; Lovastatina; Lovastatinum; C24H36O5; DSSTox_CID_784; DSSTox_RID_75788; DSSTox_GSID_20784; butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-; Liposcler; 6 alpha-Methylcompactin; Rextat; Monakolin K; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate; (S)-(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate; Mevacor (TN); 6.alpha.-Methylcompactin; CHEMBL503; Lovastatin & Primycin; Lovastatin (USP/INN); SR-05000001880; (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; (S)-2-Methylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one; 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone; BRN 3631989; Mevinolin from Aspergillus sp.; CCRIS 8092; 1cqp; Lovastatin,(S); ML-530B; Lovastatin [USAN:USP:INN:BAN]; (+)-mevinolin; (S)-((1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; Lovastatin- Bio-X; Prestwick_819; CAS-75330-75-5; Lovastatin [USAN]; Mevinolin (lovastatin); Lovastatin (Mevinolin); Opera_ID_1578; Prestwick0_000516; Prestwick1_000516; Prestwick2_000516; Prestwick3_000516; Spectrum3_001873; Spectrum5_001294; Lovastatin (MK-803); EC 616-212-7; SCHEMBL3136; US9115116, lovastatin; BIDD:PXR0113; BSPBio_000471; BSPBio_001265; BSPBio_003346; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-; cid_53232; MLS001055358; MLS006011867; US9353061, Lovastatina; BIDD:GT0749; DivK1c_001032; SPECTRUM1503977; SPBio_002392; BPBio1_000519; GTPL2739; MEGxm0_000398; DTXSID5020784; SCHEMBL14227102; ACon0_000534; ACon1_000390; BDBM34168; HMS503O05; KBio1_001032; KBio3_002848; AOB5269; C10AA02; Simvastatin impurity, lovastatin-; NINDS_001032; HMS1569H13; HMS1792O07; HMS1923O13; HMS1990O07; HMS2089M06; HMS2093O03; HMS2096H13; HMS2236F07; HMS3039N16; HMS3259F10; HMS3268C03; HMS3403O07; HMS3412H19; HMS3676H19; HMS3713H13; HMS3884B03; Pharmakon1600-01503977; 2-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acid; ACT02620; ALBB-027272; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; HY-N0504; MK-803; LOVALIP; MEVACOR; ZINC3812841; Tox21_110888; Tox21_201475; Tox21_300268; BBL024473; CCG-39627; NSC633781; NSC758662; NSC779704; s2061; STK801953; AKOS005267139; Tox21_110888_1; CS-1990; DB00227; KS-1082; MCULE-4740518260; MCULE-7087866108; Mevinolin from Aspergillus sp., powder; NC00713; NSC 758662; NSC-633781; NSC-779704; IDI1_001032; NCGC00023509-04; NCGC00023509-05; NCGC00023509-06; NCGC00023509-07; NCGC00023509-08; NCGC00023509-09; NCGC00023509-10; NCGC00023509-11; NCGC00023509-13; NCGC00023509-14; NCGC00023509-16; NCGC00254157-01; NCGC00259026-01; 74133-25-8; AC-13961; BL164644; Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; G226; SMR000673570; SBI-0051881.P002; L0214; N1632; EN300-52515; C07074; D00359; J10136; AB00052400-17; AB00052400_18; AB00052400_19; Mevinolin from Aspergillus sp., >=98% (HPLC); 330L755; A838030; A838383; Q417740; SR-01000000123; SR-01000000123-3; SR-05000001880-1; SR-05000001880-2; BRD-K09416995-001-06-8; BRD-K09416995-001-21-7; Z1258578375; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-8-(2-((4R,6R)-4-hydroxy-2-oxo-2H-pyran-6-yl)ethyl)-3,7-dimethylnaphtyl(S)-2-methylbutyrat; (2S)-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl-2-methyl butanoate; (2S)-2-Methylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; (2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester; (S)-((1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL) 2-METHYLBUTANOATE; (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((3R,5R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester; [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate; 1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; 8-[2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthale; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-- oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40303	DB00227	DR00410	DR0986	404.5	C24H36O5	72.8	666	4.3	29	1	5	7	"1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1"	CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	PCZOHLXUXFIOCF-BXMDZJJMSA-N
DG00922	Cabergoline	54746	"Cabergoline; 81409-90-7; Dostinex; Cabaser; Cabergolinum [Latin]; Cabergolina [Spanish]; Cabergolinum; Cabergolina; FCE-21336; FCE 21336; UNII-LL60K9J05T; C26H37N5O2; 1-((6-Allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea; Cabaseril; CHEBI:3286; LL60K9J05T; MFCD00867887; DSSTox_CID_2719; 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea; 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea; (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide; DSSTox_RID_76698; DSSTox_GSID_22719; (6aR,9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide; Sogilen; Dostinex (TN); 1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea; Cabaser (TN); CAS-81409-90-7; SR-05000001493; BRN 6020775; Caberlin; Velactis; NCGC00167821-01; Cabergoline [USAN:USP:INN:BAN]; CG-101; GTPL37; SCHEMBL42292; (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide; BIDD:GT0775; Cabergoline (JAN/USP/INN); CHEMBL1201087; DTXSID6022719; Cabergoline, >=98% (HPLC); HMS2090A09; HMS3886H05; ZINC3800008; Tox21_112589; BDBM50426497; s5842; 1-Ethyl-3-(3'-dimethylaminopropyl)-3-(6'-allylergoline-8'beta-carbonyl)urea; AKOS015961587; Tox21_112589_1; DB00248; FCE-21336FCE-21336; NCGC00344544-01; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide; AC-26126; Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-; Ergoline-8beta-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-; HY-15296; K450; C08187; D00987; F17353; AB01275484-01; 409C907; Q423308; SR-05000001493-1; SR-05000001493-2; BRD-K86882815-001-01-6; Cabergoline, European Pharmacopoeia (EP) Reference Standard; Cabergoline, United States Pharmacopeia (USP) Reference Standard; ETHYL4-METHYL-2-PYRIDIN-3-YL-1,3-THIAZOLE-5-CARBOXYLATE; 1-[(6-Allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)-propyl]-3-ethylurea; 6-allyl-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-ergoline-8beta-carboxamide; N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-allyl-ergoline-8beta-carboxamide; (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; (9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3286	DB00248	DR00069	DR0253	451.6	C26H37N5O2	71.7	713	3.4	33	2	4	8	"1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1"	CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C	KORNTPPJEAJQIU-KJXAQDMKSA-N
DG00923	Bambuterol	54766	"Bambuterol; 81732-65-2; Bambec; Bambuterolum; CHEBI:553827; [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate; (+/-)-Bambuterol;KWD-2183; (+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate); Bambuterolum [Latin]; Oxeol; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate); Bambuterol (INN); terbutaline bisdimethylcarbamate; Bambuterol [INN:BAN]; terbutaline bis(dimethylcarbamate); KWD-2183; Prestwick0_000361; Prestwick1_000361; Prestwick2_000361; Prestwick3_000361; SCHEMBL4431; BSPBio_000481; MLS002153785; SPBio_002402; BPBio1_000531; CHEMBL521589; GTPL6601; DTXSID5048550; HMS2089J18; HMS2230O15; HMS3373N13; BCP21793; BDBM50235800; STK643808; AKOS005574764; CS-3157; DB01408; MCULE-5915665286; ( inverted exclamation markA)-Bambutero; ( inverted exclamation markA)-Bambuterol; NCGC00179546-01; NCGC00179546-02; H726; HY-17501; SMR001233168; SBI-0207028.P001; FT-0602901; D07377; 732B652; A840189; L004435; Q3633651; SR-05000001470-1; BRD-A17462676-003-03-3; BRD-A17462676-003-06-6; (+/-)-5-(2-(tert-butylamino)-1-hydroxyethyl)-m-phenylene bis(dimethylcarbamate); (RS)-5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diyl bis(dimethylcarbamate); 5-(2-(tert-butylamino)-1-hydroxyethyl)-1,3-phenylene bis(dimethylcarbamate); [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate; N,N-dimethylcarbamic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[dimethylamino(oxo)methoxy]phenyl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:553827	DB01408	.	.	367.4	C18H29N3O5	91.3	446	1.2	26	2	6	8	"1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3"	CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O	ANZXOIAKUNOVQU-UHFFFAOYSA-N
DG00927	Gardiquimod	44592366	"Gardiquimod; 1020412-43-4; UNII-Y3W4QVW5BY; Y3W4QVW5BY; 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; CHEMBL1085742; 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol; 1-(4-amino-2-((ethylamino)methyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; 1-yl]-2-methylpropan-2-ol; SCHEMBL1256396; BCP30187; EX-A5848; VQB41243; BDBM50320067; ZINC40897136; NCGC00387769-01; NCGC00387769-02; NCGC00387769-04; AS-82322; HY-103697; CS-0032943; J3.515.101J; J-000553; 1-[4-Amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-; 1-(4-amino-2-ethylaminomethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-propan-2-ol; 1H-Imidazo(4,5-C)quinoline-1-ethanol, 4-amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-; 4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-C)quinoline-1-ethanol; 9K3"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	313.4	C17H23N5O	89	404	1	23	3	5	5	"1S/C17H23N5O/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20)"	CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N	FHJATBIERQTCTN-UHFFFAOYSA-N
DG00928	Imiquimod	57469	"IMIQUIMOD; 99011-02-6; Aldara; Zyclara; 1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine; 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine; Beselna; 4-Amino-1-isobutyl-1H-imidazo[4,5-c]quinoline; R 837; 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine; 4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline; R-837; 9050-31-1; S-26308; C14H16N4; UNII-P1QW714R7M; MFCD00866946; CHEMBL1282; 1-isobutylimidazo[4,5-c]quinolin-4-amine; P1QW714R7M; 1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-; CHEBI:36704; S26308; NSC-369100; NSC-759651; 1H-Imidazo(4,5-c)quinolin-4-amine, 1-(2-methylpropyl)-; NCGC00070736-02; Zartra; Imiquimod acetate; DSSTox_CID_21047; DSSTox_RID_79617; DSSTox_GSID_41047; Aldara (TN); CAS-99011-02-6; S 26308; SR-01000611320; Imiquimodum; Imiquimod [USAN:INN:BAN]; Vyloma; MTD-39; 1-(2-Methylpropyl)-1H-imidazole[4,5-c]quinoline-4-amine; HSDB 8129; TMX 101; TMX-101; Aldara; ; ; Beselna; Imiquimod,(S); Imiquimod- Bio-X; 6T0; Imiquimod - Aldara; Zyclara (TN); DZ-2636; (non-labelled)Imiquimod-d9; Imiquimod (JAN/USP/INN); SCHEMBL26136; MLS000083577; BIDD:GT0859; GTPL5003; DTXSID7041047; AOB6939; HMS2090M14; HMS2232G07; HMS3373B13; HMS3715N19; HMS3747A13; Pharmakon1600-01502351; BCP05151; HY-B0180; Tox21_110985; AC-529; BBL010772; BDBM50240849; NSC369100; NSC759651; NSC811538; s1211; STK583860; ZINC19632912; Imiquimod - CAS 99011-02-6; Imiquimod, >=98% (HPLC), solid; AKOS005507352; Tox21_110985_1; 1H-Imidazo[4, 1-(2-methylpropyl)-; CCG-208015; CS-2058; DB00724; KS-5218; MCULE-9421195760; NSC 369100; NSC 741062; NSC 759651; NSC-811538; YH44175; (Hydroxypropyl)methyl cellulose phthalate; Imiquimod 100 microg/mL in Acetonitrile; NCGC00070736-03; NCGC00070736-04; BI164576; SMR000048307; SY017571; FT-0602727; I0747; D02500; J10325; 1-isobutyl-1H-imidazo [4,5-c]quinolin-4-amine; 1-isobutyl-1H-imidazo[4,5-c]quinoline-4-amine; AB00399298-05; AB00399298-06; AB00399298-07; AB00399298_08; AB00399298_09; 011I026; 1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-ylamine; A845945; Q423417; 1-(2-methylpropyl)-4-imidazo[4,5-c]quinolinamine; SR-01000611320-2; SR-01000611320-3; BRD-K26657438-001-01-2; BRD-K26657438-001-13-7; 1-(2-methylpropyl)-1Himidazo[4,5-c]quinolin-4-amine; 1-(2-methylpropyl)-1H-imidazo[4,5-c]-quinolin-4-amine; Imiquimod, United States Pharmacopeia (USP) Reference Standard"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:36704	DB00724	.	DR0864	240.3	C14H16N4	56.7	294	2.6	18	1	3	2	"1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)"	CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N	DOUYETYNHWVLEO-UHFFFAOYSA-N
DG00929	Resiquimod	159603	"Resiquimod; 144875-48-9; 1-(4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol; R-848; 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; R 848; UNII-V3DMU7PVXF; Resiquimod (R-848); R848; V3DMU7PVXF; MFCD00937759; S-28463; CHEMBL383322; CHEBI:36706; 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol; s28463; R848;S28463; Resiquimod [INN]; alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol; 1-(4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol.; 2252319-44-9; R848 compound; S 28463; 1H-Imidazo(4,5-c)quinoline-1-ethanol, 4-amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-; 1H-Imidazo[4,5-c]quinoline-1-ethanol, 4-amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-; 4-Amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol; 4-Amino-2-(ethoxymethyl)-alpha,alpha-dimethyl-1H-Imidazo[4,5-c]quinoline-1-ethanol; ResiquimodR848; VML-600; RX8; R848; Resiquimod; SCHEMBL34159; MLS006010212; GTPL5051; DTXSID7040603; Resiquimod, >=98% (HPLC); 4-Amino-2-(ethoxymethyl)-alpha; HMS3740O09; BCP09103; EX-A1879; BDBM50241029; s8133; ZINC28572103; AKOS016003509; CCG-267635; CD11301; CS-1706; DB06530; SB17111; 1-(4-Amino-2-ethoxymethyl-imidazo[4,5-c]quinolin-1-yl)-2-methyl-propan-2-ol; NCGC00370784-01; NCGC00370784-05; AS-30885; CD-11301; HY-13740; SMR002530531; SY107476; FT-0763049; R0197; Z4166; Resiquimod, VML-600, R-848, S-28463; A856222; Q426054; SR-01000944954; J-008020; SR-01000944954-1; 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-propan-2-ol; 4-amino-2-ethoxymethyl-alpha,alpha-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol; 4-amino-alpha,alpha-dimethyl-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-ethanol; 4-Amino-alpha,alpha-dimethyl-2-ethoxymethyl-1H-imidazo[4,5-c]quinoline-1-ethanol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:36706	.	.	.	314.4	C17H22N4O2	86.2	406	1.3	23	2	5	5	"1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)"	CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N	BXNMTOQRYBFHNZ-UHFFFAOYSA-N
DG00939	Emtricitabine	60877	"Emtricitabine; 143491-57-0; Emtriva; Coviracil; (-)-FTC; 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; 143491-54-7; 524W91; BW-524W91; Racivir; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; BW524W91; (-)-2'-Deoxy-5-fluoro-3'-thiacytidine; UNII-G70B4ETF4S; BW 524W91; FTC; (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine; CHEBI:31536; FTC-(-); (2R-cis)-4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one; 5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine; G70B4ETF4S; 145213-48-5; Emtritabine; BW1592; MFCD00870151; (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one; 2',3'-Dideoxy-5-fluoro-3'-thiacytidine; NCGC00164564-01; (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; PSI 5004; PSI-5004; Coviracil(TM); DRG-0208; 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; rel-4-Amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; Emtriva(TM); 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, rel-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-; Emtricitabine (Emtriva); SMR002533604; BW 1592; 2',3',5-FTC; HSDB 7337; 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one; FTC, (-)-; Emtricitabine [USAN:INN]; (-)-.beta.-L-FTC; Emtricitabinum; 2(1h)-pyrimidinone,4-amino-5-fluoro-1-((2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-; 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-; (-)-emtricitabine; Emtricitabine- Bio-X; Emtricitabine, (-)-; CHEMBL885; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-; DSSTox_CID_20129; DSSTox_RID_79445; DSSTox_GSID_40129; SCHEMBL39708; MLS003882429; MLS006011556; MLS006011987; DTXSID0040129; GTPL11244; EX-A150; HMS2089I05; HMS3713L12; ZINC3629271; Tox21_112193; ((-))-FTC; BDBM50107843; CS1125; FTC-((-)); NSC804863; s1704; AKOS015853098; AKOS015894950; AM84393; CCG-220615; CS-1370; DB00879; MCULE-7141046266; NSC-804863; 2',3'-Dideoxy-3-thia-5-fluorocytidine; NCGC00164564-06; NCGC00164564-09; NCGC00164564-10; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-; 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-(+-)-; AS-14099; BE165946; HY-17427; CAS-143491-57-0; E1007; Emtricitabine 100 microg/mL in Acetonitrile; SW220172-1; D01199; D72669; ent-Emtricitabine; Emtricitabine IP Impurity D; AB01275429-01; 491E570; Q422604; 524-W-91; W-201247; W-201248; Z1739256297; UNII-ULS8902U4O component XQSPYNMVSIKCOC-NTSWFWBYSA-N; .beta.-L-(-)-(2R,5S)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; 4-Amino-5-fluoro-1-[(2R,5S)-2-hydroxymethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyrimidinone; 4-Amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; (+)-2'-Deoxy-3'-thia-5-fluorocytidine; (2S-cis)-4-Amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone; 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31536	DB00879	DR00672	.	247.25	C8H10FN3O3S	113	374	-0.6	16	2	5	2	"1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1"	C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F	XQSPYNMVSIKCOC-NTSWFWBYSA-N
DG00943	Iopamidol	65492	"Iopamidol; 60166-93-0; Iopamiron; Iopamiro; Isovue; Niopam; Solutrast; Gastromiro; Iopamidolum; B-15000; UNII-JR13W81H44; SQ-13396; 62883-00-5; (S)-N,N'-bis(2-Hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide; L-(+)-N,N'-Bis(2-hydroxy-1-hydroxymethylethyl)-2,4,6-triiodo-5-lactamide isophthalamide; L-5alpha-Hydroxypropionylamino-2,4,6-triiodoisophthalic acid di(1,3-dihydroxy-2-propylamide); SQ 13,396; CHEBI:31711; JR13W81H44; Iopamidol 300; Solutrast 370; iomapidol; NCGC00016892-01; Oypalomin; Isovue 370; CAS-60166-93-0; DSSTox_CID_3158; (S)-N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide; DSSTox_RID_76896; DSSTox_GSID_23158; 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide; Iopamiron 300; Iopamiron 370; Jopamiron 200; Iopamiro 370; Isovue-370; Niopam 300; Iopamidolum [INN-Latin]; N,N'-bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide; Iopamidol-200; Iopamidol-250; Iopamidol-300; Iopamidol-370; Scanlux-300; Scanlux-370; Isovue-128; Isovue-200; Isovue-250; Isovue-300; Isovue-M 200; Isovue-M 300; EINECS 262-093-6; B 15000; BRN 6250226; Iopamyron; SQ 13396; HSDB 8075; (S)-N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; Iopamiron (TN); Iopamidol-200 in plastic container; Iopamidol-250 in plastic container; Iopamidol-300 in plastic container; Iopamidol-370 in plastic container; Isovue (TN); Iopamidol [USAN:USP:INN:BAN:JAN]; Prestwick0_000871; Prestwick1_000871; Prestwick2_000871; Prestwick3_000871; Iopamidol (JP17/USP); L-5alpha-Idrossipropionilamino-2,4,6-triiodoisoftal-di(1,3-diidrossi-2-propilamide); SCHEMBL27781; BSPBio_000941; SPBio_002862; BPBio1_001037; CHEMBL1200932; DTXSID1023158; HMS1570P03; HMS2097P03; HMS3714P03; Pharmakon1600-01502304; ACT03261; HY-B0684; ZINC3830947; Tox21_110668; NSC759636; s4532; AKOS015891034; Tox21_110668_1; CCG-213024; DB08947; KS-1421; NCGC00016892-02; NCGC00016892-04; (S)-N,N'-Bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-((2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodoisophthaldiamide; 1,3-Benzenedicarboxamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(((2S)-2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodo-; 1,3-Benzenedicarboxamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-((2-hydroxy-1-oxopropyl)amino)-2,4,6-triiodo-, (S)-; AB00513941; D01797; H11976; hydroxypropanamido)-2,4,6-triiodoisophthalamide; AB00513941_02; 166I930; A834067; Q424788; Q-201245; (S)-N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-; BRD-K75868704-001-01-2; (S)-N,N inverted exclamation marka-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; (S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide; N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide; N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodo-benzene-1,3-dicarboxamide; N1,N3-bis(1,3-dihydroxypropan-2-yl)-5-[(2S)-2-hydroxypropanamido]-2,4,6-triiodobenzene-1,3-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31711	DB08947	.	.	777.1	C17H22I3N3O8	188	583	-2.4	31	8	8	10	"1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1"	C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O	XQZXYNRDCRIARQ-LURJTMIESA-N
DG00948	Balofloxacin	65958	"Balofloxacin; 127294-70-6; 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-(methylamino)piperidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Bilimin; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid; NCGC00167532-01; Balofloxacin [INN]; DSSTox_CID_26695; DSSTox_RID_81829; UNII-Q022B63JPM; DSSTox_GSID_46695; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-; Q 35; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; CAS-127294-70-6; CHEMBL1210954; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-; BALOFLOXACIN 2-HYDRATE; SCHEMBL134163; DTXSID5046695; HMS3655N15; HY-B0159; RKL10070; Tox21_112529; MFCD00864925; s2064; AKOS015900452; Tox21_112529_1; CCG-268516; CS-1991; KS-5214; NCGC00167532-02; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidino]-4-oxo-3-quinolinecarboxylicacid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid; B4354; FT-0602907; SW220155-1; AB01566884_01; Balofloxacin, VETRANAL(TM), analytical standard; 294B706; A805677; SR-01000872576; J-700148; Q3633495; SR-01000872576-1; (+/-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminopiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxoquinoline-3-carboxylic Acid; 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-(methylamino)piperidino]-4-oxo-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	389.4	C20H24FN3O4	82.1	668	0.6	28	2	8	5	"1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)"	CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	MGQLHRYJBWGORO-UHFFFAOYSA-N
DG00952	Brinzolamide	68844	"Brinzolamide; 138890-62-7; Azopt; AL-4862; AL 4862; Birnzolamide; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide; MFCD08067749; UNII-9451Z89515; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 138890-50-3; CHEBI:3176; (R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; DSSTox_CID_25531; DSSTox_RID_80934; DSSTox_GSID_45531; 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-; BZ1; 9451Z89515; C12H21N3O5S3; (4R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; Brinzolamide (BRZ); Azopt (TN); Brinzolamide (JAN/USP/INN); 3znc; NSC-760050; NCGC00016979-01; Brinzolamide [USAN:USP:INN:BAN]; Brinzolamide- Bio-X; CAS-138890-62-7; Prestwick0_000365; Prestwick1_000365; Prestwick2_000365; Prestwick3_000365; SCHEMBL24636; BSPBio_000489; 2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-; MLS002153787; BIDD:GT0039; SPBio_002410; AMY372; BPBio1_000539; CHEMBL220491; GTPL6797; DTXSID6045531; BDBM10885; Brinzolamide, >=98% (HPLC); HMS1569I11; HMS2096I11; HMS2234K06; HMS3713I11; HMS3885I11; BCP22330; HY-B0588; ZINC3953037; Tox21_110722; s3178; AKOS005145708; Tox21_110722_1; AC-5277; CCG-220365; CCG-222516; DB01194; NSC 760050; NCGC00179542-03; NCGC00179542-09; NCGC00179542-10; AS-35084; BB164262; SMR001233169; AB00513824; B4258; SW197152-3; AL4862;AL 4862;AL-4862; C07760; D00652; AB00513824_06; Q411517; SR-01000838832; Q-200751; SR-01000838832-2; BRD-K74913225-001-03-3; Brinzolamide, United States Pharmacopeia (USP) Reference Standard; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide; (4r)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide-1,1-dioxide; (4R)-4-ethylamino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[4,5-e]thiazine-6-sulfonamide; (5R)-5-ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2,9-dithia-3-azabicyclo[4.3.0]nona-1(6)7-diene-8-sulfonamide; (5R)-5-Ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2 6,9-dithia-3-azabicyclo[4.3.0]nona-7,10-diene-8-sulfonamide; (R)- 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; (R)-3,4-Dihydro-4-ethylamino-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; 2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-,1,1-dioxide, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3176	DB01194	.	DR0229	383.5	C12H21N3O5S3	164	598	-0.3	23	2	9	7	"1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1"	CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC	HCRKCZRJWPKOAR-JTQLQIEISA-N
DG00959	Nebivolol	71301	"Nebivolol; 99200-09-6; Narbivolol; 2,2'-Azanediylbis(1-(6-fluorochroman-2-yl)ethanol); 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol; CHEBI:64019; Nebivololum [Latin]; 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]; R 67145; R 065824; 118457-14-0; (-)-Nebivolol; Levonebivolol; l-Nebivolol; R65,824; R 67138;d-Nebivolol;(+)-Nebivolol; (S,R,R,R)-Nebivolol; R-65824; Nebivolol-d4; rac Nebivolol-[d8]; 2H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-; SCHEMBL19863; CHEMBL434394; GTPL7246; DTXSID9040556; BDBM84735; HMS3604L09; MFCD00865796; NSC_71301; PDSP1_000244; PDSP2_000243; Ro-67555; AKOS015895102; AC-1611; CCG-357228; DB04861; AS-77015; CAS_99200-09-6; DB-057766; FT-0631000; FT-0672663; FT-0672664; FT-0672665; FT-0672666; FT-0700072; R74714; 200N096; A845981; L001284; Q418130; SR-01000883933; SR-01000883933-1; 2,2-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]; alpha,alpha'-(iminodimethylene)bis-(6-fluoro-2-chromanmethanol); 1,1'-bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2,2'-iminodiethanol; 1,1'-[bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)]-2,2'-iminodiethanol; 1-(6-fluorochroman-2-yl)-2-[[2-(6-fluorochroman-2-yl)-2-hydroxyethyl]amino]ethanol; alpha,alpha'-(iminobismethylene)bis-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol); alpha,alpha'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]; alpha,alpha'[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64019	DB04861	.	.	405.4	C22H25F2NO4	71	483	3	29	3	7	6	"1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2"	C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O	KOHIRBRYDXPAMZ-UHFFFAOYSA-N
DG00976	Atovaquone	74989	"ATOVAQUONE; 95233-18-4; Mepron; Wellvone; Acuvel; Atavaquone; 566C80; 94015-53-9; Mepron (antipneumocystic); cis-Atovaquone; 137732-39-9; BW 566C; 566C; C22H19ClO3; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione; Atovaquone (Atavaquone); 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; UNII-Y883P1Z2LT; UNII-F1W7QUV0KI; F1W7QUV0KI; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 2-(TRANS-4-(4-CHLOROPHENYL)CYCLOHEXYL)-3-HYDROXY-1,4-NAPHTHALENEDIONE; Y883P1Z2LT; CHEBI:575568; 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; NSC-759582; NCGC00016961-01; CAS-95233-18-4; 2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; DSSTox_CID_2629; trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione; DSSTox_RID_76664; DSSTox_GSID_22629; 2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; 2-[trans-4-(p-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-[cis-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-; 2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; DRG-0084; BW 566C-80; Mepron (TN); BW-A 566C; HSDB 7083; SR-05000001438; BW-566C-80; CRL-8131 & Atovaquone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; Atovaquone & Interleukin 12; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione; cis-2-(4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone; Cis-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; 1,4-Naphthalenedione, 2-(cis-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione; trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione; ATO & IL-12; Atovaquone [USAN:USP:INN:BAN]; Atovaquone-[d5]; Atovaquone- Bio-X; BW 566C80; Spectrum_001743; starbld0018905; SpecPlus_000686; Prestwick0_000534; Prestwick1_000534; Prestwick2_000534; Prestwick3_000534; Spectrum2_001665; Spectrum3_000991; Spectrum4_001117; Spectrum5_001382; Atovaquone EP Impurity B; SCHEMBL21694; SCHEMBL21695; Atovaquone (JAN/USP/INN); BSPBio_000547; BSPBio_002681; KBioGR_001594; KBioSS_002223; Atovaquone Related Compound A; MLS002153863; BIDD:GT0849; DivK1c_006782; SCHEMBL637069; SPECTRUM1504210; SPBio_001849; SPBio_002468; BPBio1_000603; CHEMBL222334; CHEMBL471792; CHEMBL519462; GTPL9695; SCHEMBL1542719; SCHEMBL1649508; SCHEMBL9975142; SCHEMBL9975229; Atovaquone, >=98% (HPLC); CIS-ATOVAQUONE (RACEMIC); DTXSID7022629; CHEBI:95346; KBio1_001726; KBio2_002223; KBio2_004791; KBio2_007359; KBio3_001901; DTXSID20916694; BDBM192009; HMS1569L09; HMS1922F19; HMS2089M14; HMS2093C10; HMS2096L09; HMS2235N08; HMS3369N09; HMS3651N20; HMS3713L09; Pharmakon1600-01504210; AMY15339; BCP09477; Tox21_110714; 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione; Atovaquone related compound A [USP]; CCG-39090; FD7252; MFCD00889188; NSC759582; s3079; STK636160; trans-2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone; ZINC12504271; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-, trans-; 1,4-Naphthalenedione, 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-dihydronaphthalene-1,4-dione; AKOS005567953; AKOS015895691; AKOS015961933; Tox21_110714_1; ZINC100017856; ZINC100345537; ZINC116473771; ZINC299873031; BW-556C-80; CCG-220534; DB01117; MCULE-7318126574; NSC 759582; NCGC00016961-02; NCGC00016961-03; NCGC00016961-04; NCGC00016961-06; NCGC00016961-07; NCGC00016961-11; NCGC00095113-01; NCGC00095113-02; AC-30251; AS-12809; Atovaquone 100 microg/mL in Acetonitrile; BA164228; HY-13832; SMR001233220; SBI-0052893.P002; AB00513855; FT-0602868; SW219222-1; A13708; C06835; D00236; F18448; J90007; AB00053222-03; AB00053222_04; AB00053222_05; 233A184; A853147; Q418179; SR-05000001438-1; SR-05000001438-2; SR-05000001438-4; SR-05000001438-5; Z1541632806; 2-[4-(4-chlorophenyl)cyclohexy]-3-hydroxy-1,4-naphthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-napthoquinone; 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1.4-naphthoquinone; 2-Hydroxy-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthoquinone; 3-[4-(p-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone; 1,4-Naphthalenedione, 2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-; 2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxynaphthoquinone, trans-; 3-[4-(4-Chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthalenedione; 2-(cis-4-(4-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione; cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:575568	DB01117	.	DR0158	366.8	C22H19ClO3	54.4	595	5.2	26	1	3	2	"1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2"	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	BSJMWHQBCZFXBR-UHFFFAOYSA-N
DG00977	Cevimeline	83898	"Cevimeline; 107233-08-9; Cevimeline (INN); C10H17NOS; cevimeline trans-sulfoxide; BIDD:GT0265; SCHEMBL188381; CHEMBL1201267; DTXSID2023777; ZINC10163; AKOS025294043; CS-0397; AS-56166; HY-70020; X7254; D07667; UNII-K9V0CDQ56E component WUTYZMFRCNBCHQ-PSASIEDQSA-N; cis-2-Methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane]; (3R,2'R)-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00185	.	.	199.32	C10H17NOS	37.8	215	1.5	13	0	3	0	"1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1"	C[C@@H]1O[C@]2(CN3CCC2CC3)CS1	WUTYZMFRCNBCHQ-PSASIEDQSA-N
DG00980	Gliquidone	91610	"Gliquidone; 33342-05-1; Glurenorm; Gliquidonum; ARDF 26; C27H33N3O6S; UNII-C7C2QDD75P; 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea; Beglynor; MFCD00631870; C7C2QDD75P; ARDF-26; N-(Cyclohexylcarbamoyl)-4-(2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)benzenesulfonamide; NCGC00016819-01; Gliquidona; CAS-33342-05-1; DSSTox_CID_3096; DSSTox_RID_76873; DSSTox_GSID_23096; Gliquidonum [INN-Latin]; 3-Cyclohexyl-1-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]phenyl]sulfonyl-urea; Gliquidona [INN-Spanish]; ARDF 26 SE; AR-DF 26; Glurenorm (TN); 1-cyclohexyl-3-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea; Gliquidone (INN); SMR000685793; Gliquidone [INN:BAN]; EINECS 251-463-2; BRN 1559726; Gliquidon; Gliquidone,(S); Gliquidone, 98%; Prestwick0_000991; Prestwick1_000991; Prestwick2_000991; Prestwick3_000991; Oprea1_069443; SCHEMBL37769; BSPBio_001081; 1-Cyclohexyl-3-((p-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)urea; 1-Cyclohexyl-3-(p-beta-(4,4-dimethyl-2-methoxy-1,3-(2H,4H)-isoquinolinedione-2-yl)phenethyl)sulfonylurea; Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-; MLS000881123; MLS000881174; MLS002154087; SPBio_002972; BPBio1_001191; CHEMBL383634; DTXSID4023096; CHEBI:93416; HMS1571G03; HMS2098G03; HMS2964J06; HMS3652O05; HMS3715G03; ACT06290; BCP11927; HY-B1114; ZINC1482077; Tox21_110629; BDBM50248247; AKOS001037880; Tox21_110629_1; CCG-220991; CM14378; CS-4646; DB01251; KS-5239; MCULE-6775445815; NCGC00016819-02; NCGC00016819-03; NCGC00016819-05; NCGC00016819-06; NCGC00179315-01; AC-23356; N-[(cyclohexylamino)carbonyl]-4-{2-[4,4-dimethyl-7-(methyloxy)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl]ethyl}benzenesulfonamide; N-(cyclohexylcarbamoyl)-4-(2-(7-methoxy-; AB00513989; FT-0630570; G0332; S3151; SW197285-3; D02430; J10245; T72318; 4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin; AB00513989_07; 342G051; A821736; SR-01000833866; J-019153; Q5569924; SR-01000833866-2; BRD-K80396088-001-03-9; 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea; 1-Cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]phenyl]sulfonyl-urea;Gliquidone; 3-cyclohexyl-1-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea; N-cyclohexylcarbamoyl-4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4- tetrahydroisoquinolin-2-yl)ethyl]benzenesulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:93416	DB01251	DR00405	DR0779	527.6	C27H33N3O6S	130	948	4.6	37	2	6	7	"1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)"	CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C	LLJFMFZYVVLQKT-UHFFFAOYSA-N
DG00981	Hydroxyflutamide	91649	"Hydroxyflutamide; 52806-53-8; 2-hydroxyflutamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide; Hydroxyniphtholide; hydroxy-flutamide; 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; Sch 16423; Hydroxy Flutamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)-phenyl)propanamide; UNII-31D90UKP5Y; CHEMBL491; 31D90UKP5Y; Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; MFCD00563126; OH-flutamide; DSSTox_CID_13562; DSSTox_RID_79084; DSSTox_GSID_33562; HFT; Hydroxyflutamid; Liproca Depot; Propanamide, 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-; SMR001227196; 2-Hydroxy-flutamide; CAS-52806-53-8; 2-hydroxy Flutamide; 2ax6; .alpha.-hydroxyflutamide; alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide; 2-HOF; cid_91649; MLS001061267; MLS006011954; BIDD:ER0519; GTPL2862; SCHEMBL3079778; DTXSID8033562; SCHEMBL19117358; BDBM35909; HMS3039A05; BCP12495; Hydroxyflutamide, >=98% (HPLC); ZINC4655055; Tox21_201204; Tox21_303659; Hydroxyflutamide (Hydroxyniphtholide); AKOS007930906; CS-W013988; HY-W013272; MCULE-6726517919; SB17029; s10360; NCGC00091014-01; NCGC00091014-02; NCGC00091014-03; NCGC00091014-04; NCGC00091014-06; NCGC00257382-01; NCGC00258756-01; BS-17460; A1728; FT-0627147; H1600; X6072; A21118; Q15633976; 2-Hydroxy-4'-nitro-3'-(trifluoromethyl)isobutyranilide; Z1617901126; 2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (hydroxy flutamide); 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide(Hydroxyflutamide); 2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (2-Hydroxyflutamide); 2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE; HYDROXYNIPHTHOLIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	292.21	C11H11F3N2O4	95.2	392	2.2	20	2	7	2	"1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)"	CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O	YPQLFJODEKMJEF-UHFFFAOYSA-N
DG00984	2-hydroxy-5-fluoropyrimidine	101498	"2022-78-8; 5-fluoropyrimidin-2-ol; 5-Fluoropyrimidin-2(1H)-one; 5-Fluoro-2-hydroxypyrimidine; 5-Fluoropyrimidin-2-one; 2-Hydroxy-5-fluoropyrimidine; 214290-48-9; 5-fluoro-1H-pyrimidin-2-one; 5-Fluoro-2-pyrimidinol; 2(1H)-Pyrimidinone, 5-fluoro-; 5-fluoro-2-pyrimidone; UNII-1VXI7T1BI5; 5-fluoro-pyrimidin-2-ol; 1VXI7T1BI5; SMR000449315; 2-Pyrimidinol, 5-fluoro- (9CI); 5-FP; NSC529069; NSC 529069; 5-fluoropyrimid-2-one; 5-Fluro-2-pyrimidone; 5-fluoropyrimidine-2-one; 2-Pyrimidinol, 5-fluoro-; MLS000758251; MLS001424161; SCHEMBL309070; AMY113; CHEMBL4303165; 2-Pyrimidinol,5-fluoro-(9CI); DTXSID90174067; CHEBI:125539; HMS2051J14; HMS3393J14; 0373AB; 5-Fluoro-2-hydroxypyrimidine, 97%; MFCD00223678; ZB1820; ZINC16697945; 5-fluoro-1,2-dihydropyrimidin-2-one; AKOS006347205; AKOS016004426; CCG-101035; CS-W008541; GS-6508; NC00285; NSC-529069; SB56948; SB57746; AC-26618; FT-0649189; 2(1H)-Pyrimidinone, 5-fluoro- (8CI)(9CI); A879769; J-013132; Q27216155"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:125539	DB01357	.	.	114.08	C4H3FN2O	41.5	173	-0.4	8	1	2	0	"1S/C4H3FN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)"	C1=C(C=NC(=O)N1)F	HPABFFGQPLJKBP-UHFFFAOYSA-N
DG00985	Fotemustine	104799	"Fotemustine; 92118-27-9; Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate; Muphoran; Mustophorane; Fotemustina; Servier-10036; S 10036; Mustoforan; UNII-UPB2NN83AR; UPB2NN83AR; S-10036; UNII-QY93P3GN94; QY93P3GN94; (+-)-Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate; MFCD00866278; Fotemustinum [Latin]; Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate; Fotemustina [Spanish]; Fotemustinum; C9H19ClN3O5P; SMR002529685; CCRIS 6337; Fotemustine [INN:BAN]; HSDB 7762; Muphoran (TN); Fotemustine, (+)-; Fotemustine, (-)-; 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea; Fotemustine (INN/BAN); SCHEMBL8880; MLS006010211; MLS006010716; CHEMBL549386; 6-Amino-3-hydroxy(1h)indazole; Fotemustine, >=98% (HPLC); DTXSID80869091; CHEBI:131852; BCP07342; HY-B0733; AKOS015920275; DS-1395; P-[1-[[[(2-Chloroethyl)nitrosoamino]carbonyl]amino]ethyl]-phosphonic acid diethyl ester; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester; NCGC00346829-01; NCGC00346829-03; K679; DB-057290; FT-0630979; D07255; 118F279; A844148; SR-01000944936; Q1439555; SR-01000944936-1; diethyl 1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate; 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitroso-urea; diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate; diethyl (1-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}ethyl)phosphonate; 191219-77-9; 191220-84-5; Muphoran; ; ; Mustoforan; ; ; S-10036; ; ; 1-(2-Chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester, (+)-; Phosphonic acid, (1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)-, diethyl ester, (-)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131852	DB04106	.	.	315.69	C9H19ClN3O5P	97.3	334	0.9	19	1	6	8	"1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)"	CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC	YAKWPXVTIGTRJH-UHFFFAOYSA-N
DG00995	Valdecoxib	119607	"Valdecoxib; 181695-72-7; Bextra; 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; Valdyn; SC 65872; SC-65872; 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; Kudeq; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide; Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-; YM-974; UNII-2919279Q3W; CHEMBL865; p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide; CHEBI:63634; MFCD00950568; NSC-759846; COX; NCGC00095129-01; 2919279Q3W; DSSTox_CID_24226; DSSTox_RID_80128; DSSTox_GSID_44226; Valecoxib; SMR000466327; CAS-181695-72-7; HSDB 7302; Valdecoxib (USAN/INN); 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; valdecoxibum; 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide; Valdecoxib [USAN:INN:BAN]; 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonamide; ND-0214; Spectrum_001747; 2aw1; Spectrum2_000508; Spectrum3_001001; Spectrum4_001129; Spectrum5_001476; SCHEMBL3356; BSPBio_002721; KBioGR_001617; KBioSS_002227; MLS000759433; MLS001165699; MLS001195631; MLS001424105; SPECTRUM1504302; SPBio_000435; 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide; cid_119607; GTPL2894; ZINC6694; DTXSID6044226; Valdecoxib, >=98% (HPLC); BDBM13063; KBio2_002227; KBio2_004795; KBio2_007363; KBio3_001941; EX-A241; HMS1922J21; HMS2051P07; HMS2232P23; HMS3372D12; HMS3393P07; HMS3652I04; HMS3715L18; HMS3885O20; Pharmakon1600-01504302; AMY31078; BCP02419; Tox21_111438; AC-120; CCG-39589; NSC759846; s4049; AKOS000280920; Tox21_111438_1; CS-1674; DB00580; NC00184; NSC 759846; SB19519; MRF-0000216; NCGC00095129-02; NCGC00095129-03; NCGC00095129-06; Valdecoxib, analytical reference material; HY-15762; DB-044435; UNM-0000305814; FT-0631199; FT-0675755; SW197564-2; A13342; C21552; D02709; AB00639996-08; AB00639996_10; 695V727; A812629; Q347613; SR-01000759421; J-011613; J-513600; SR-01000759421-4; 4-[5-methyl-3-phenylisoxazol-4-yl]benzensulfonamide; BRD-K12994359-001-02-8; BRD-K12994359-001-14-3; 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide; Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)- (9CI); VLX"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63634	DB00580	DR01196	DR1666	314.4	C16H14N2O3S	94.6	462	2.6	22	1	5	3	"1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)"	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N	LNPDTQAFDNKSHK-UHFFFAOYSA-N
DG00998	Tazobactam	123630	"Tazobactam; 89786-04-9; Tazobactam acid; Tazobactamum; YTR-830H; YTR 830H; UNII-SE10G96M8W; CL-298741; CHEMBL404; YTR 830; CHEBI:9421; SE10G96M8W; (2S,3S,5R)-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; CL 298,741; YTR 830 H; 89786-04-9 (free acid); (2S,3S,5R)-3-METHYL-4,4,7-TRIOXO-3-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; SR-01000872598; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-; 89785-84-2; Tazobactamum [INN-Latin]; YTR830H; CCRIS 2203; YTR830; NSC-759887; Tazobactam,(S); Tazobactam [USAN:USP:INN:BAN]; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4 ^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Cl 298741; BRN 4787943; CL298741; Tazobactam;Tazobactan acid; EC 618-303-7; BIDD:GT0212; SCHEMBL122302; CXA201; Tazobactam (JP17/USP/INN); DTXSID8023634; GTPL10789; HMS3714G17; (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; BCP09757; EX-A1377; HY-B1418; ZINC3787060; BDBM50053173; MFCD00867002; s3077; AKOS015960801; AC-7620; CCG-207890; CS-4914; DB01606; DS-8301; NSC 759887; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4,4-dioxide; T3732; C07771; D00660; D78146; T-1445; 786T049; A843310; Q423376; Tazobactam, Antibiotic for Culture Media Use Only; SR-01000872598-1; SR-01000872598-2; 89786-04-9, 89785-84-2 (sodium salt); BRD-K14312455-001-01-6; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1-triazolylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda 6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,3S,5R)-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2alpha,3beta,5alpha))-; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7- oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, [2S- (2alpha,3beta,5alpha)]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9421	DB01606	.	DR2453	300.29	C10H12N4O5S	131	573	-2	20	1	7	3	"1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1"	C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3	LPQZKKCYTLCDGQ-WEDXCCLWSA-N
DG00999	Desloratadine	124087	"Desloratadine; 100643-71-8; Clarinex; Descarboethoxyloratadine; Desloratidine; Neoclarityn; Aerius; Azomyr; Sch-34117; Denosin; Opulis; Allex; Sch 34117; 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Descarboethoxyoratidine; MFCD00871949; UNII-FVF865388R; CHEMBL1172; Loratadine related compound a; C19H19ClN2; 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; MLS000559042; CHEBI:291342; FVF865388R; 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; NSC-759824; NCGC00159325-02; SMR000149358; Clarinex RediTabs; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; DSSTox_CID_24196; DSSTox_RID_80112; DSSTox_GSID_44196; Desalex; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperdinylidene)- 5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Clarinex (TN); 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene; Desloratadine Actavis; CAS-100643-71-8; SR-01000668962; Dasselta; Desloratadine [USAN:INN:BAN]; Desloratadine teva; Clarinex(R); 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}-piperidine; 4-{8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene}piperidine; Desloratadine-[d7]; Desloratadine- Bio-X; MK-4117; CPD000149358; Opera_ID_1891; SCHEMBL4425; MLS000759406; MLS001201801; MLS001424247; Sch34117; Desloratadine (JAN/USP/INN); GTPL7157; ZINC1261; DTXSID1044196; Loratadine related compound a rs; HMS2052H05; HMS2090C06; HMS2093F19; HMS3394H05; HMS3652O15; HMS3715J15; HMS3885C18; Pharmakon1600-01505393; ALBB-027276; BCP02340; HY-B0539; Tox21_111574; BBL010777; BDBM50073179; NSC675447; NSC759824; s4012; STK586537; AKOS000280921; Tox21_111574_1; AC-1279; CCG-101162; DB00967; KS-1048; MCULE-2975958622; NC00412; NSC 675447; NSC 759824; NSC-675447; SB17503; Desloratadine, powder, >=98% (HPLC); NCGC00159325-03; NCGC00159325-04; NCGC00159325-05; 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene; BD164361; Loratadine EP Impurity D (Desloratadine); SBI-0206828.P001; D3787; FT-0602522; FT-0666048; SW197792-3; A19515; D03693; H11943; J10309; AB00456701-11; AB00456701-13; AB00456701_14; AB00456701_15; 643D718; L001025; Q418060; Q-200936; SR-01000668962-4; SR-01000668962-5; SR-01000668962-8; BRD-K82357231-001-13-4; Desloratadine, European Pharmacopoeia (EP) Reference Standard; Desloratadine, United States Pharmacopeia (USP) Reference Standard; 4-(8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo-[5,6]cyclohepta(1,2-b]pyridin-11-ylidene)-piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta [1,2-b]pyridin-11-ylidene) piperidine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene) piperidine; 8-chloro-11-(4-piperidinylidene)-6,11-dihydro-5H- benzo[4,5]cyclohepta[2,1-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta [1,2-b]pyridine; 8-chloro-11-(4-piperidyliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-chloro-11-(4-piperidylidene)-6,11-dihydro-5h-benzo[5.6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H- benzo[5,6]cyclohepta[1,2,b]pyridine; 8-chloro-6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Desloratadine for system suitability, European Pharmacopoeia (EP) Reference Standard; Desloratidine, Pharmaceutical Secondary Standard; Certified Reference Material; Loratadine Related Compound A, United States Pharmacopeia (USP) Reference Standard; 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene; 8-CHLORO-11-(4-PIPERIDYLIDENE)-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDINE; 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (Descarboethoxyloratadine; Desloratadine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:291342	DB00967	DR00497	DR1761	310.8	C19H19ClN2	24.9	425	4.5	22	1	2	0	"1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2"	C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4	JAUOIFJMECXRGI-UHFFFAOYSA-N
DG01003	Febuxostat	134018	"Febuxostat; 144060-53-7; Adenuric; Uloric; 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid; Tei 6720; Feburic; Tei-6720; TMX 67; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid; TMX-67; Zurig; C16H16N2O3S; UNII-101V0R1N2E; Febuxostat (Uloric); 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID; CHEMBL1164729; 101V0R1N2E; NSC-758874; NCGC00182059-02; 2-(3-Cyano-4-(2-methylpropoxy)phenyl)-4-methylthiazole-5-carboxylic acid; 5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-; DSSTox_CID_28576; DSSTox_RID_82848; DSSTox_GSID_48650; 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-; SMR002529566; Uloric (TN); CAS-144060-53-7; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid; 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid; Donifoxate; Febuxostatum; Febuday; Goturic; Febric; Goutex; Febuxostat (JAN/USAN/INN); Febuxostat [USAN:INN:BAN]; 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid; Febuxostat- Bio-X; Feburic (TN); SPIRAMYCINADIPATE; 111GE013; S1547; Febuxostat,Uloric, TMX-67; MLS004774136; MLS006011568; SCHEMBL249339; GTPL6817; ZINC5423; thyl-thiazole-5-carboxylic acid; DTXSID8048650; Febuxostat, >=98% (HPLC); CHEBI:31596; BCPP000233; HMS3264C20; HMS3655C03; HMS3673M21; HMS3743I09; HMS3868J03; MX-67; Pharmakon1600-01504286; ACT06289; BCP02342; WZB81950; Tox21_113004; AC-425; BBL036503; BDBM50320491; FD7322; MFCD00871598; NSC758874; STL559020; AKOS015841695; Tox21_113004_1; BCP9000679; BS-1018; CCG-213303; CS-0403; DB04854; MCULE-6974079178; NSC 758874; PB33929; 2-(3-Cyano-4-isobutoxy-phenyl)-4-me; NCGC00182059-03; BC164443; HY-14268; S033; AM20090760; F0847; FT-0601639; SW219283-1; D01206; J10392; AB01274796-01; AB01274796_02; AB01274796_03; 060F537; Q417296; SR-01000940023; Q-100164; SR-01000940023-2; BRD-K48367671-001-01-8; Z1550648761; 2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid; 2-(3-cyano-4-isobutoxyphenyl)-4-methyl- 1,3-thiazole-5-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31596	DB04854	.	DR0681	316.4	C16H16N2O3S	111	448	3.9	22	1	6	5	"1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)"	CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O	BQSJTQLCZDPROO-UHFFFAOYSA-N
DG01004	Pomalidomide	134780	"Pomalidomide; 19171-19-8; Actimid; 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione; CC-4047; Pomalyst; Imnovid; 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione; 4-Aminothalidomide; 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide; CC 4047; IMiD 3; Pomalidomide (CC-4047); 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-; (S)-pomalidomide; 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione; IMID-3; CHEBI:72690; MFCD12756407; 4-amino-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione; 4-amino-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione; 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione; Pomalidomide [USAN:INN]; HSDB 8222; Pomalyst (TN); CC4047; Pomalidomide- Bio-X; IMiD1; 3-amino-N-(2,6-dioxo-3-piperidyl)phthalamide; 3-Aminophthalimidoglutarimide; MLS006011261; CHEMBL43452; SCHEMBL369172; GTPL7348; Pomalidomide (JAN/USAN/INN); 3-aminio-phthalimido-glutarimide; SCHEMBL19250920; BDBM65456; IMID-4047; CDC-394; DTXSID40893458; Pomalidomide, >=98% (HPLC); s-3-amino-phthalimido-glutarimide; HMS3655G05; HMS3744K07; Actimid; ; ; CC 4047; ; ; IMiD3; BCP02890; BCP09107; CFC83849; AM9718; NSC767909; NSC775351; s1567; AKOS013400288; CCG-264684; CS-0165; DB08910; LS40023; NSC-767909; NSC-775351; SB16552; NCGC00346551-01; NCGC00346551-03; AC-26970; AS-17905; BP-24477; BP164278; DA-21486; HY-10984; SMR004703012; SY054807; BCP0726000263; FT-0697903; P2074; SW218099-2; V2447; D08976; AB01565777_02; 171P198; SR-01000941573; J-012392; J-514302; Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-; Q7227206; SR-01000941573-1; 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline; 4-amino-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione; 4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione; 4-Amino-2-(2,6-dioxo-3-piperidyl) isoindoline -1,3-dione; Lipopolysaccharides from Escherichia coli 055:B5 pound>>Lipopolysaccharides pound>> lipoglycans pound>>endotoxins"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:72690	DB08910	DR00151	DR1313	273.24	C13H11N3O4	110	504	0.2	20	2	5	1	"1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)"	C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N	UVSMNLNDYGZFPF-UHFFFAOYSA-N
DG01007	Conivaptan	151171	"Conivaptan; 210101-16-9; YM087; YM-087; Conivaptan (INN); Conivaptan [INN]; UNII-0NJ98Y462X; N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide; CHEBI:681850; 0NJ98Y462X; Conivaptan-d4; 4'-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)-2-biphenylcarboxanilide; CHEMBL1755; SCHEMBL49815; GTPL2203; BDBM85095; DTXSID80175220; HMS3745C21; BCP07817; PDSP1_001735; PDSP2_001718; ZINC12503187; AKOS015917893; CAS_151171; DB00872; NSC_151171; NCGC00345881-02; NCGC00345881-03; NCGC00345881-04; NCGC00345881-05; AC-30626; N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}biphenyl-2-carboxamide; DB-066404; AM20090722; FT-0724257; D07748; AB01565868_02; L001073; L001531; Q5161126; (1,1'-Biphenyl)-2-carboxamide, N-(4-(4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1H)-yl)carbonyl)phenyl)-; [1,1'-Biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-; 4'-[(2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide; N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2(6),3,11,13-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide; N-[4-(2-methyl4,5-dihydro-3H-imidazo[5,4-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide; N-[4-[(4,5-Dihydro-2-methylimidazo[4,5-d][benzazepin-6(1H)-yl)carbonyl]phenyl-[1,1'-biphenyl]-2-carboxamide hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:681850	DB00872	.	.	498.6	C32H26N4O2	78.1	820	5.7	38	2	3	4	"1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)"	CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6	IKENVDNFQMCRTR-UHFFFAOYSA-N
DG01014	Arzoxifene	179337	"Arzoxifene; 182133-25-1; LY 353381; UNII-E569WG6E60; 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol; LY353381; E569WG6E60; Benzo[b]thiophene-6-ol, 2-(4-methoxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-; Arzoxifene [INN]; Benzo(b)thiophene-6-ol, 2-(4-methoxyphenyl)-3-(4-(2-(1-piperidinyl)ethoxy)phenoxy)-; LY-353381; SCHEMBL285277; CHEMBL226267; BDBM19442; DTXSID10171255; ZINC1544683; DB06249; SB19713; 2-(4-methoxyphenyl)-3-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)benzo[b]thiophen-6-ol; DA-09024; HY-13556; CS-0007165; FT-0751607; Q4802769; 2-(4-methoxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol; 2-(p-Methoxyphenyl)-3-(p-(2-piperidinoethoxy)phenoxy)benzo(b)thiophene-6-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	475.6	C28H29NO4S	79.4	601	6.6	34	1	6	8	"1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3"	COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCCC5	MCGDSOGUHLTADD-UHFFFAOYSA-N
DG01015	Deflazacort	189821	"DEFLAZACORT; 14484-47-0; Azacort; Calcort; Oxazacort; Flantadin; Emflaza; Cortax; Deflan; MDL 458; UNII-KR5YZ6AE4B; C25H31NO6; DL-458-IT; L-5458; KR5YZ6AE4B; MDL-458; MFCD00866106; Dezacor; Lantadin; DSSTox_CID_378; DSSTox_RID_75552; DSSTox_GSID_20378; 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate; Deflazacortum; Decortil; Deflanil; Enzocort; Deflazacort (Calcort); 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate; CAS-14484-47-0; Deflazacortum [INN-Latin]; Deflazacort [USAN:INN:BAN]; (11beta,16beta)-21-(Acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione; (11beta,16beta)-21-(acetyloxy)-11-hydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione; EINECS 238-483-7; Emflaza (TN); Deflazacort (USAN/INN); SCHEMBL4018; DL-458IT; GTPL9477; MDL458; CHEMBL1201891; DTXSID9020378; Deflazacort, >=98% (HPLC); CHEBI:135720; HMS3714D15; BCP08474; ZINC4212809; Tox21_112506; Tox21_301415; BBL036672; s1888; STL559051; AKOS015895199; Tox21_112506_1; CCG-220817; DB11921; KS-1158; NCGC00255189-01; NCGC00263521-01; 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-acetate; H894; HY-13609; D4523; D03671; T70289; AB01274724-01; AB01274724_02; 484D470; Q779118; Q-101371; 3-AMINO-3-(4-CHLORO-3-NITRO-PHENYL)-PROPIONICACID; Deflazacort, United States Pharmacopeia (USP) Reference Standard; 11b,21-Dihydroxy-2'-methyl-5'bH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 21-acetate; [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate; 11beta,21-dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione 2'-acetate; 2-((6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-7-hydroxy-6a,8a,10-trimethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d]oxazol-8b-yl)-2-oxoethyl acetate; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-, 21-acetate; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-,21-acetate; 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-; pregna-1,4-diene-11beta,21-diol-3,20-dione[17alpha,16alpha-d]-2'-methyloxazoline 21-acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135720	DB11921	.	.	441.5	C25H31NO6	102	996	2	32	1	7	4	"1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1"	CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C	FBHSPRKOSMHSIF-GRMWVWQJSA-N
DG01027	Glucosamine	439213	"2-Amino-2-Deoxy-D-Glucopyranose; 2-Amino-2-Deoxy-D-Glucopyranoside; 2-Amino-2-Deoxy-D-Glucose; 2-Amino-2-Deoxy-Glucopyranose; 2-Amino-2-Deoxy-Glucopyranoside; 2-Amino-2-Deoxy-Glucose; 2-Deoxy-2-Amino-D-Glucopyranose; 2-Deoxy-2-Amino-D-Glucopyranoside; 2-Deoxy-2-Amino-D-Glucose; 2-Deoxy-2-Amino-Glucopyranose; 2-Deoxy-2-Amino-Glucopyranoside; 2-Deoxy-2-Amino-Glucose; D-GlcN; D-Glucosamine; GlcN; Glucosamine; chitosamine; Glucosamine free base; D-(+)-Glucosamine; 2-amino-2-deoxyglucose; CHEBI:47977; (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; 3416-24-8 (free base); 2-Aminoglucose; D-Glucose, 2-amino-2-deoxy-; (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol; Glucosaminum [INN-Latin]; Glucosamina [INN-Spanish]; Mediflex; GlcNH2; 2-Deoxy-2-aminoglucose; Glucosamine (USAN/INN); Glucosamine [USAN:INN]; bmse000247; Epitope ID:151531; SCHEMBL167831; 2-Amino-2-deoxyhexopyranose #; CHEMBL493287; BBL009288; STK801823; AKOS005622471; (+)-2-amino-2-deoxy-D-glucopyranose; DB01296; DB-017621; C00329; D04334; Q327506; J-019472; WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*N]/1/"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47977	DB01296	.	.	179.17	C6H13NO5	116	155	-2.8	12	5	6	1	"1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6 /m1/s1"	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O	MSWZFWKMSRAUBD-IVMDWMLBSA-N
DG01038	Vinpocetine	443955	"Vinpocetine; 42971-09-5; Cavinton; Ceractin; Apovincaminic acid ethyl ester; Ethyl apovincamin-22-oate; Bravinton; TCV-3B; Ethyl (+)-apovincaminate; Ultra-Vinca; RGH 4405; RGH-4405; cis-Apovincaminic acid ethyl ester; (+)-Apovincaminic acid ethyl ester; Ethyl (+)-cis-apovincaminate; (+)-cis-Apovincaminic acid ethyl ester; AY 27,255; TCV 3B; Ethyl apovincaminate; UNII-543512OBTC; 3-alpha,16-alpha-Apovincaminic acid ethyl ester; Eburnamenine-14-carboxylic acid ethyl ester; CHEMBL71752; MLS000069635; 543512OBTC; MFCD00211233; NSC-760093; (41S,13aS)-ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate; NCGC00018204-09; Vinpocetinum; C22H26N2O2; SMR000058241; AY-27,255; Eburnamenine-14-carboxylic acid, ethyl ester, (3alpha,16alpha)-; DSSTox_CID_3740; DSSTox_RID_77176; DSSTox_GSID_23740; ethyl (41S,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate; Vinpocetinum [INN-Latin]; Eburnamenine-14-carboxylic acid, ethyl ester, (3a,16a)-; Apovincaminate d'ethyle; Vinporal; Apovincaminate d'ethyle [French]; 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.; SR-01000075633; EINECS 256-028-0; BRN 0900803; Vinpocetin; Vinpocetine (JAN/USAN/INN); Vinpocetine-ethyl apovincaminate; 3A,16A-Apovincaminic acid ethyl ester; NCGC00016854-03; Vinpocetine [USAN:INN:BAN:JAN]; Prestwick_963; Vinpocetin- Bio-X; CAS-42971-09-5; Spectrum_001400; Vinpocetine (Cavinton); AY 27255; SpecPlus_000327; Opera_ID_1325; Prestwick0_000268; Prestwick1_000268; Prestwick2_000268; Prestwick3_000268; Spectrum2_001529; Spectrum3_000961; Spectrum4_001075; Spectrum5_000966; V 6383; Lopac0_001257; SCHEMBL50081; BSPBio_000116; BSPBio_002561; KBioGR_001430; KBioSS_001880; MLS001076294; DivK1c_006423; SPECTRUM1503115; Vinpocetine, >=98%, solid; ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate; SPBio_001318; SPBio_002335; BPBio1_000128; cid_443955; GTPL5285; Vinpocetine, analytical standard; DTXSID5023740; REGID_for_CID_443955; CHEBI:32297; KBio1_001367; KBio2_001880; KBio2_004448; KBio2_007016; KBio3_001781; HMS1568F18; HMS1922G05; HMS2090J22; HMS2092L06; HMS2095F18; HMS3263L16; HMS3402D12; HMS3411H11; HMS3675H11; HMS3712F18; HMS3887E17; Pharmakon1600-01503115; (3alpha, 16alpha)-Eburnamenine-14-carboxylic acid ethyl ester; 68780-77-8; AMY39087; BCP04123; Tox21_110648; Tox21_110839; Tox21_501257; BDBM50059033; CCG-39307; Eburnamenine-14-carboxylic acid, ethyl ester, (3-alpha,16-alpha)-; NSC760093; PD-185; s2110; ZINC19796031; AKOS015896480; Tox21_110648_1; CS-0545; DB12131; LP01257; NSC 760093; SDCCGSBI-0051224.P003; Vinpocetine 1.0 mg/ml in Acetonitrile; (3S,16S)-apovincaminic acid ethylester; NCGC00018204-05; NCGC00018204-06; NCGC00018204-07; NCGC00018204-08; NCGC00018204-10; NCGC00018204-11; NCGC00018204-13; NCGC00021727-04; NCGC00021727-05; NCGC00021727-06; NCGC00021727-07; NCGC00168782-01; NCGC00261942-01; NCGC00263865-01; NCGC00263865-04; AC-22612; AS-13868; AY-27255; BV164528; HY-13295; Eburnamenine-14-carboxylic acid ethyl ester;; EU-0101257; D01371; J10479; AB00052317_02; 971V095; Q420288; SR-01000000118; SR-01000000118-3; SR-01000075633-1; SR-01000075633-3; SR-01000075633-4; W-202748; BRD-K53318339-001-05-8; (3 ,16 )-Eburnamenine-14-carboxylic acid ethyl ester; Vinpocetine, European Pharmacopoeia (EP) Reference Standard; (3alpha,16alpha)-Eburnamenine-14-carboxylic acid ethyl ester; Vinpocetine, United States Pharmacopeia (USP) Reference Standard; (11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid ethyl ester; (3aS,11bS)-3a-ethyl-1,2,3,3a,10,11b-hexahydro-11H-5a,11a-diaza-benzo[cd]fluoranthene-5-carboxylic acid ethyl ester; 115986-87-3; 11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H-3a,9b-diaza-benzo[cd]fluoranthene-10-carboxylic acid 2-nitrooxy-ethyl ester(Vinpocetine); ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate; ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32297	DB12131	.	DR1697	350.5	C22H26N2O2	34.5	617	4.1	26	0	3	4	"1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1"	CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC	DDNCQMVWWZOMLN-IRLDBZIGSA-N
DG01041	Fluvastatin	446155	"Fluvastatin; Lescol; 93957-54-1; (3R,5S)-fluvastatin; Canef; Cranoc; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (+)-(3R,5S)-fluvastatin; XU-62320; CHEBI:38565; 155229-75-7; Vastin; (+)-3R,5S-Fluvastatin sodium salt; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,E)-7-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid; (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; CHEMBL1078; Fluvastatin & Primycin; NSC-758896; (-)-fluvastatin; (E,3R,5S)-7-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid; DSSTox_CID_636; Prestwick2_000859; SCHEMBL2846; DSSTox_RID_75707; DSSTox_GSID_20636; (3R,5S,6E)-rel-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid; SCHEMBL556754; GTPL2951; DTXSID2020636; BDBM86704; CHEBI:93160; HMS2089P06; HMS3259J15; Pharmakon1600-01504911; ACT03305; ZINC1886617; Tox21_302765; DL-108; HY-14664B; NSC758896; CCG-213323; NC00659; NCGC00256490-01; CAS-93957-54-1; CAS_93957-54-1; CS-0019897; EN300-51915; H11963; 957F541; Q417942; SR-05000001489-1; BRD-K66296774-001-02-0; UNII-4L066368AS component FJLGEFLZQAZZCD-MCBHFWOFSA-N; (E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid; 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, (3R,5S,6E)-; Fluvastatin sodium L1483"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:38565	DB01095	DR00124	.	411.5	C24H26FNO4	82.7	590	3.5	30	3	5	8	"1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1"	CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F	FJLGEFLZQAZZCD-MCBHFWOFSA-N
DG01044	Fosfomycin	446987	"FOSFOMYCIN; phosphomycin; Phosphonomycin; 23155-02-4; Fosfonomycin; Fosfocina; Monurol; Veramina; Fosfomicina; Fosfomycine; Fosfomycinum; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid; Antibiotic 833A; Phosphonemycin; Phosphonic acid, (3-methyloxiranyl)-, (2R-cis)-; UNII-2N81MY12TE; Phosphomycin disodium salt; (2R-cis)-(3-Methyloxiranyl)phosphonic acid; (1R,2S)-epoxypropylphosphonic acid; L-cis-1,2-epoxypropylphosphonic acid; (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid; CHEMBL1757; Phosphonicacid, P-[(2R,3S)-3-methyl-2-oxiranyl]-; Fosfomycin disodium salt; 2N81MY12TE; CHEBI:28915; FCM; Phosphonic acid, (1,2-epoxypropyl)-, (1R,2S)-(-)-; (1R,2S)-epoxypropylphosphonate; cis-(1R,2S)-epoxypropylphosphonic acid; Calcium fosfomycin; 1R-cis-(1,2-epoxypropyl)phosphonic acid; ((2R,3S)-3-methyloxiran-2-yl)phosphonic acid; Fosfomicin; Infectophos; 1,2-EPOXYPROPYLPHOSPHONIC ACID; Levo-phosphonomycin; Fosfomycin (USAN/INN); Fosfomycine [INN-French]; Fosfomycinum [INN-Latin]; Fosfomicina [INN-Spanish]; Fosfomycin [USAN:INN:BAN]; J01XX01; EINECS 245-463-1; MK-955; BRN 1680831; 883A; NSC-758170; Fosfomycin (compound 1); Fosfomycinfor culture media; SCHEMBL50951; BIDD:GT0448; BRN 1680831, Fosfocina; ZTI-01; DTXSID4048480; GTPL10813; BCP24891; ZINC1530427; BDBM50024894; cis-(2-Methyloxiranyl)-phosphonic acid; DB00828; (2R,3S)-3-methyloxiran-2-ylphosphonate; 25030-76-6; (1R, 2S)-1,2-epoxypropyl-phosphonic acid; FT-0774116; (2R,3S)-3-methyloxiran-2-ylphosphonic acid; (3-Methyl-oxiranyl)-phosphonic acid(Na salt); C06454; D04253; Q183554; W-107422; BRD-K81101512-234-01-9; Phosphonic acid, P-[(2R,3S)-3-methyl-2-oxiranyl]-; 6F066DFF-696A-4A94-AF78-A28430EBE5BA"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28915	DB00828	.	DR0749	138.06	C3H7O4P	70.1	138	-1.4	8	2	4	1	"1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1"	C[C@H]1[C@H](O1)P(=O)(O)O	YMDXZJFXQJVXBF-STHAYSLISA-N
DG01047	Octreotide	448601	"Octreotide; Octreotide acetate; 83150-76-9; Sandostatin; SMS 201-995; UNII-RWM8CCW8GP; Longastatin; RWM8CCW8GP; 79517-01-4; SMS-201-995; CHEMBL1680; 83150-76-9 (free base); MFCD00871400; Octreotidum [Latin]; Octreotida [Spanish]; Octrotide; (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide; [R-(R*,R*)]-D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[2-hydroxy-1-(hydroxy-methyl)propyl]-cysteinamide cyclic(2-->7)-disulfide; Octreotida; Octreotidum; DRG-0115; Octreotide-LAR; SMS-995; Octreotide [USAN:INN:BAN]; Octreotode Acetate; (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide; SMS995; Octreotide, >=98% (HPLC); SCHEMBL10044649; HMS2090C09; 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide; EX-A4865; BDBM50272772; AKOS015994656; CCG-270610; DB00104; HS-2020; AC-28733; L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide, (R-(R*,R*))-; 10-(4-Aminobutyl)-19-((2-amino-3-phenylpropanoyl)amino)-16-benzyl-7-(1-hydroxyethyl)-N-(2-hydroxy-1-(hydroxymethyl)propyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide acetate; 17O014; 79517-01-4b; AB01275486-01; Q419935; Q-201501; H-D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-L-threoninol disulfide bond acetate salt; (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide; 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-; 2-{[(13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-amino}-3-hydroxy-butyric acid; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2-7)-disulfide; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide; D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide Cyclic (2-7)-Disulfide Acetate; L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide, (R-(R*,R*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00104	DR01163	.	1019.2	C49H66N10O10S2	383	1740	1	71	13	14	17	"1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1"	C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O	DEQANNDTNATYII-OULOTJBUSA-N
DG01064	Prothionamide	666418	"Protionamide; prothionamide; 14222-60-7; 2-propylpyridine-4-carbothioamide; Ektebin; Protionamid; Trevintix; Peteha; 2-Propyl-thioisonicotinamide; 2-Propylthioisonicotinamide; Tuberex; Protionamidum; Protionizina; Tebeform; 2-Propylisonicotinylthioamide; 4-Pyridinecarbothioamide, 2-propyl-; 2-Propyl-4-pyridinecarbothioamide; TH-1321; 2-Propyl-4-thiocarbamoylpyridine; RP 9778; Isonicotinamide, 2-propylthio-; 9778 R.P.; 1321 TH; UNII-76YOO33643; Prothionamidum; RP-9778; Protionamide (Prothionamide); MLS000042521; Protionamida; 76YOO33643; NSC-758962; NCGC00095164-01; SMR000047660; DSSTox_CID_25940; DSSTox_RID_81238; DSSTox_GSID_45940; Protionamidum [INN-Latin]; Protionamida [INN-Spanish]; Trevintix (TN); CAS-14222-60-7; Protionamide (INN); TH 1321; SR-05000001518; EINECS 238-093-7; BRN 0118164; Protion; Protionamide [INN:BAN:DCF]; Prothionamide (JP17); Opera_ID_999; Spectrum2_000019; Spectrum3_001964; SCHEMBL74572; BSPBio_003564; 5-22-02-00376 (Beilstein Handbook Reference); MLS001201789; MLS006011877; SPECTRUM1505316; SPBio_000057; CHEMBL1378024; DTXSID7045940; CHEBI:32066; KBio3_002911; Prothionamide, >=99% (HPLC); 2-Propyl-4-thiocarbamoyl pyridine; HMS1922D06; HMS2090J11; HMS2235M12; HMS3372K04; HMS3655O18; HMS3715G13; KUC109576N; Pharmakon1600-01505316; ALBB-010476; BCP13522; HY-B0306; KSC-27-052D; ZINC3874803; Tox21_111463; BBL010291; BDBM50499814; CCG-40049; MFCD00464119; NSC758962; s1881; STK366469; STL454225; AKOS005172678; Tox21_111463_1; 1321-TH; AC-4518; DB12667; KS-1282; MCULE-3817450515; NSC 758962; 2-propylpyridine-4-carbimidothioic acid; NCGC00095164-02; NCGC00095164-03; NCGC00095164-04; NCGC00095164-05; M860; SBI-0207058.P001; DB-042615; Protionamide 100 microg/mL in Acetonitrile; 4-Pyridinecarbothioamide, 2-propyl- (9CI); FT-0630412; P2302; SW199462-2; D01195; D88012; AB00393463-12; AB01093435-02; AB01093435_03; AB01093435_04; A807874; Q866657; Q-201638; SR-05000001518-1; SR-05000001518-2; SR-05000001518-3; BRD-K75360161-001-09-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32066	.	.	.	180.27	C9H12N2S	71	159	1.5	12	1	2	3	"1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)"	CCCC1=NC=CC(=C1)C(=S)N	VRDIULHPQTYCLN-UHFFFAOYSA-N
DG01066	Doxepin	667477	"Doxepin; (e)-doxepin; trans-doxepin; 1668-19-5; Doxepinum [INN-Latin]; Doxepina [INN-Spanish]; UNII-851NLB57HQ; Sinequan; Sinequan (TN); 851NLB57HQ; Doxepin [USAN]; Doxepina; Doxepinum; (3e)-3-(Dibenzo[b,E]oxepin-11(6h)-Ylidene)-N,N-Dimethylpropan-1-Amine; 3607-34-9; 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin; Deptran; 1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-; MF 10; Doxepin (INN); [11C]doxepin; 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; [11C]-doxepin; CCRIS 9176; Doxepin, (E)-; (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine; HSDB 3069; Doxepin [INN:BAN]; NCGC00015344-03; CAS-1229-29-4; Methyllactate; 11-(3-(Dimethylamino)propylidene)-6H-dibenz(b,e)oxepine; 11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin; N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine; E-DOXEPIN; Tocris-0508; P-3693A; Prestwick2_000263; Prestwick3_000263; Lopac-D-4526; CHEMBL860; Doxepin [USAN:INN:BAN]; Lopac0_000339; BSPBio_000106; SCHEMBL116895; BPBio1_000118; GTPL1225; GTPL3958; ZINC1331; (E)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine; DTXSID7022966; BDBM112780; Dibenz(b,e)oxepin-delta(sup 11(6H)),gamma-propylamine, N,N-dimethyl-; CCG-204434; SDCCGSBI-0050327.P002; NCGC00015344-01; NCGC00015344-02; NCGC00015344-04; NCGC00015344-12; NCGC00024623-01; NCGC00162127-01; US8629135, SW-07; C06971; D07875; L000699; BRD-K36616567-003-01-5; BRD-K54462405-003-03-3; BRD-K54462405-003-16-5; Q27077103; UNII-5ASJ6HUZ7D component ODQWQRRAPPTVAG-GZTJUZNOSA-N; 5EH"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01142	DR00542	.	279.4	C19H21NO	12.5	363	4.3	21	0	2	3	"1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+"	CN(C)CC/C=C/1\\C2=CC=CC=C2COC3=CC=CC=C31	ODQWQRRAPPTVAG-GZTJUZNOSA-N
DG01074	Epalrestat	1549120	"Epalrestat; 82159-09-9; Kinedak; Epalrestatum; Ono 2235; Ono-2235; ONO-2; 2-((z)-5-((e)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid; UNII-424DV0807X; C15H13NO3S2; 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; CHEMBL56337; 5-((1Z,2E)-2-Methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid; CHEBI:31539; ONO2235; 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid; MFCD00865484; 424DV0807X; {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid; Epalrestat [INN]; Epalrestatum [Latin]; {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; 2-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; ONO 2; Kinedak (TN); Aldonil; Aldorin; Tanglin; NCGC00164613-01; Epalrestat- Bio-X; 5-[(1Z, 2E)-2-methyl-3-phenylpropenylidene]-4-oxo2-thioxo-3-thiazolidineacetic acid; Epalrestat (JP17/INN); 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-; SCHEMBL49049; MLS000806985; GTPL11371; REGID_for_CID_1549120; HMS2747M09; HMS3887A17; ZINC1533688; BBL029067; BDBM50049730; s2035; STK337187; AKOS000274207; BCP9000649; CCG-267693; DB15293; NCGC00164613-08; NCGC00164613-12; AS-13345; BE164412; H951; HY-66009; SMR000414799; BCP0726000053; E0906; SW219826-1; D01688; AB00647195_06; 159E099; Q5382029; [5-(2-Methyl-3-phenyl-allylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid; 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid; (5-[(e)-2-methyl-3-phenyl-prop-2-en-(z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid 82159-; {(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid; 2-[(5Z)-5-[(E)-3-phenil-2-methylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31539	DB15293	.	.	319.4	C15H13NO3S2	115	519	3.8	21	1	5	4	"1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-"	C/C(=C\\C1=CC=CC=C1)/C=C\\2/C(=O)N(C(=S)S2)CC(=O)O	CHNUOJQWGUIOLD-NFZZJPOKSA-N
DG01076	Unithiol	2724039	"Unithiol; 4076-02-2; Sodium 2,3-dimercapto-1-propanesulfonate; DMPS; Sodium 2,3-dimercaptopropane-1-sulfonate; UNITIOL; Dimaval; 1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt; sodium 2,3-dimercaptopropanesulfonate; sodium;2,3-bis(sulfanyl)propane-1-sulfonate; 2,3-Dimercapto-1-propanesulfonic acid sodium salt; sodium 2,3-disulfanylpropane-1-sulfonate; Sodium 2,3-dimercaptopropanesulphonate; Unithiolum; Sodium 2,3-dithiolpropanesulfonate; EINECS 223-796-3; 2,3-Dimercaptopropane sodium sulphonate; (+)-Dmps; (-)-Dmps; sodium 2,3-bis(sulfanyl)propane-1-sulfonate; C3H7O3S3Na; 2,3-Dimercaptopropanesulfonic acid sodium salt; C3H7NaO3S3.H2O; SCHEMBL164318; NIOSH/TZ6420050; NIOSH/TZ6420100; DTXSID40958410; AMY22488; MFCD00007523; STL372655; AKOS015898653; AKOS015967317; AS-64437; P323; 2,3-DIMERCAPTOPROPANESULFONIC SODIUM; DB-049647; FT-0609675; TZ64200500; TZ64201000; H10946; A923350; (+)-2,3-Dimercapto-1-propanesulfonate sodium salt; (-)-2,3-Dimercapto-1-propanesulfonate sodium salt; d-2,3-Dimercapto-1-propanesulfonic acid sodium salt; l-2,3-Dimercapto-1-propanesulfonic acid sodium salt; Q-201912; Q26841293; 207233-91-8 (. H2O); 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, (+)-; 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, (-)-; 37260-06-3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	210.3	C3H7NaO3S3	67.6	160	.	10	2	5	3	"1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1"	C(C(CS(=O)(=O)[O-])S)S.[Na+]	FGGPAWQCCGEWTJ-UHFFFAOYSA-M
DG01080	Maraviroc	3002977	"Maraviroc; 376348-65-1; Selzentry; Celsentri; UK-427857; UK-427,857; UK 427857; UNII-MD6P741W8A; MD6P741W8A; CHEMBL256907; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; MVC; CHEMBL1201187; CHEBI:63608; NCGC00183109-02; 4,4-difluoro-N-((1S)-3-((1R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide; Celsentri(TM); Selzentry(TM); [3H]maraviroc; 4,4-difluoro-N-((1S)-3-((1R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-Difluoro-N-[(1s)-3-{(3-Exo)-3-[3-Methyl-5-(Propan-2-Yl)-4h-1,2,4-Triazol-4-Yl]-8-Azabicyclo[3.2.1]oct-8-Yl}-1-Phenylpropyl]cyclohexanecarboxamide; PRO 140 & Maraviroc; maravirocum; Maraviroc [INN:BAN:JAN]; Rel-Maraviroc; C29H41F2N5O; HSDB 8021; 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide; UK-427,857 maraviroc (MVC); [3H]UK 427,857; [3H]UK-427,857; (non-labelled)Maraviroc-d6; DSSTox_CID_28875; DSSTox_RID_83144; DSSTox_GSID_48949; SCHEMBL51991; GTPL803; GTPL806; Cyclohexanecarboxamide, 4,4-difluoro-N-((1S)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-; Isopropyl, 4,4-difluoro-N-((1S)-3-{(1R,3s,5S)-3-(3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)octan-8-yl}-1-phenylpropyl)cyclohexanecarboxamide; MLS006011960; CHEMBL584744; SCHEMBL2177194; SCHEMBL4576508; Maraviroc, >=98% (HPLC); EX-A200; CHEBI:184662; AMY12578; ZINC3817234; Tox21_113369; AC-558; BDBM50334986; BDBM50464147; MFCD13188530; AKOS025402143; AKOS032960315; ZINC100003902; ZINC101160855; CS-0366; DB04835; MCULE-2702173987; NCGC00183109-01; 4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]cyclohexanecarboxamide; AS-75265; exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; HY-13004; PRO 140 (Anti-CCR5 monoclonal antibody) & exo-4,4-Difluoro-N-[3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1(S)-phenylpropyl]cyclohexanecarboxamide; SMR004703532; CAS-376348-65-1; X5004; 348M651; Q421369; SR-01000942244; J-521678; SR-01000942244-1; BRD-A23284911-001-02-4; Z1618161028; 4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1S,5S)-3-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl}-amide; 4,4-difluoro-N-((1S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-Difluoro-N-((S)-3-((1R,3R,5S)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexane-1-carboxamide; 4,4-difluoro-N-((S)-3-((1S,3R,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-((S)-3-((1S,3S,5R)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-((S)-3-(3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,3S,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide; 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; 4,4-Difluoro-N-[(1S)-3-[(1R,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboximidic acid; 4,4-difluoro-N-{(1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide; 4,4-diluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide; Cyclohexanecarboxamide,4,4-difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-; MRV"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63608	DB04835	DR00730	.	513.7	C29H41F2N5O	63	751	5.1	37	1	6	8	"1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25 ,26-/m0/s1"	CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C	GSNHKUDZZFZSJB-HLMSNRGBSA-N
DG01082	Dezocine	3033053	"DEZOCINE; Dalgan; 53648-55-8; Dezocina; Dezocinum; Dezocinum [INN-Latin]; Dezocina [INN-Spanish]; UNII-VHX8K5SV4X; Wy-16225; VHX8K5SV4X; CHEMBL1685; CHEBI:4474; (-)-13beta-Amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-ol; Wy-16,225; (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol; Dezocine [USAN:INN]; Docozine; Dozocine; Dezocine (USAN); Dalgan (TN); WY 16225; WY 16,225; SCHEMBL3072; DTXSID2022911; (5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-ol; BDBM50276568; AKOS016014025; DB01209; C08010; D00838; Q1109018; (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.0^{2,7}]pentadeca-2,4,6-trien-4-ol; 13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecenol; (5R,11S,13S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzocyclodecen-3-ol; 5,11-Methanobenzocyclodecen-3-ol, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-, (5alpha,11alpha,13S*)-, (-)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4474	DB01209	.	.	245.36	C16H23NO	46.2	306	3.7	18	2	2	0	"1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1"	C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)O	VTMVHDZWSFQSQP-VBNZEHGJSA-N
DG01090	Sitagliptin	4369359	"Sitagliptin; 486460-32-6; Januvia; Xelevia; MK-0431; (R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; UNII-QFP0P1DV7Z; Tesavel; LEZ763; QFP0P1DV7Z; (3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE; 790712-60-6; CHEBI:40237; Sitagliptan; MK0431; Sitagliptin (Prop.INN); sitagliptina; sitagliptine; sitagliptinum; SR-05000001748; HSDB 7516; LEZ 763; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE; Sitagliptin (13); (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; Sitagliptin; MK0431; 1169707-31-6; EC 690-730-1; CHEMBL1422; SCHEMBL17783; BSPBio_002262; Triazolopiperazine Analogue 1; (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; MLS006011959; Sitagliptin [USAN:INN:BAN]; GTPL6286; BDBM11162; C16H15F6N5O; AMY6930; DTXSID70197572; LEZ-763; 1x70; HMS2093F20; ACT02665; EX-A2816; Sitagliptin (Metformin,MK-0431); WHO 8692; ZINC1489478; MFCD09838015; NSC813215; AKOS015888724; CCG-268731; DB01261; MCULE-2101761133; NSC-813215; NCGC00178734-03; NCGC00178734-06; NCGC00178734-13; 7-((3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)buyl)-5,6,7,8-tetrahydro-3-trifluoromethyl)-1,4-triazolo(4,3-a); AS-19118; HY-13749; SMR002546724; SBI-0206871.P001; Sitagliptin 100 microg/mL in Acetonitrile; S5079; X4663; A14377; A25516; D08516; AB01563393_01; AR-270/43507782; Q419832; Q-101366; Q-201711; SR-05000001748-1; BRD-K19416115-001-01-2; BRD-K19416115-001-03-8; Z1541638523; (1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine; (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a] pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; (2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a; (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-alpha]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; (3r)-3-amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-5h-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride; (R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine; 1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydor-3-(trifluoromethyl)-; 1,2,4-Triazolo[4,3-a]pyrazine,7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-; 3-oxo-1-(2,4,5-trifluorobenzyl)-3-(3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)propylamine; 7-[(3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01261	DR00254	DR1490	407.31	C16H15F6N5O	77	566	0.7	28	1	10	4	"1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1"	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N	MFFMDFFZMYYVKS-SECBINFHSA-N
DG01092	Tolcapone	4659569	"Tolcapone; 134308-13-7; Tasmar; Ro 40-7592; 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone; (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone; (3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone; (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone; Ro-40-7592; UNII-CIF6334OLY; Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-; MFCD00866569; CHEMBL1324; CIF6334OLY; CHEBI:63630; Ro-407592; NCGC00181767-01; 3,4-dihydroxy-5-nitro-4'-methylbenzophenone; 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone; DSSTox_CID_3685; DSSTox_RID_77146; DSSTox_GSID_23685; Talcapone; Tasmar (TN); CCRIS 7904; CAS-134308-13-7; Tolcapone [USAN:USP:INN:BAN]; Tolcapone- Bio-X; TCW; Tolcapone (JAN/USP/INN); SCHEMBL33869; MLS006012044; BIDD:GT0032; GTPL6646; DTXSID3023685; Tolcapone, >=98% (HPLC); Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-; 3s68; HMS2089K14; HMS3652M17; HMS3715D16; HMS3872F03; HMS3885G18; BCP09156; Tox21_112963; Tox21_302414; 3,4-dihydroxy-4 inverted exclamation mark -methyl-5-nitrobenzophenone; AC-791; BDBM50108877; s4021; ZINC35342789; AKOS015902328; Tox21_112963_1; AS-7085; CCG-221217; CS-1173; DB00323; KS-1314; NCGC00181767-02; NCGC00181767-03; NCGC00255188-01; BT164481; HY-17406; SMR001614567; SY102278; DB-013561; FT-0631149; SW219511-1; C07949; D00786; O10068; AB01275441-01; AB01275441_02; (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone; 308T137; Q413840; SR-05000001444; Q-201840; SR-05000001444-1; BRD-K10852020-001-01-1; 5-[(4-METHYLPHENYL)CARBONYL]-3-NITROBENZENE-1,2-DIOL; Tolcapone, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63630	DB00323	.	.	273.24	C14H11NO5	103	372	3.3	20	2	5	2	"1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3"	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]	MIQPIUSUKVNLNT-UHFFFAOYSA-N
DG01096	Pyrvinium	5281035	"PYRVINIUM; Pyrvinum; 7187-62-4; pyrvinium (cation); HSDB 3178; UNII-6B9991FLU3; CHEBI:8687; 6B9991FLU3; 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine; Pyrvinium ion; Pyrvinium cation; pyrvinium-pamoate; Pyrvinum (base); 6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methylquinolinium; CHEMBL1201303; DTXSID2043795; ZINC3831401; DB06816; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenylpyrrol-3-yl)vinyl)-1-methyl-; Quinolinium, 6-(dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl)-1-methyl-; C07412; AB00053809_02; Q264039; 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine; 6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8687	DB06816	.	.	382.5	C26H28N3+	12	552	5.9	29	0	1	4	"1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1"	CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C	QMHSXPLYMTVAMK-UHFFFAOYSA-N
DG01101	Midecamycin	5282169	"Midecamycin; Rubimycin; Espinomycin A; Platenomycin B1; Turimycin P3; Medecamycin A1; Mydecamycin; 35457-80-8; Midecamycin A1; Medemycin; UNII-N34Z0Y5UH7; Antibiotic SF 837; N34Z0Y5UH7; SF 837; Madecacine; Midecamicina; Midecamycine; Midecamycinum; YL 704 B1; Macro-Dil; Antibiotic SF-837; Turimycin P(sub 3); Midecamycin A(sub 1); Antibiotic SF 837 A1; Antibiotic YL 704 B1; Midecamycine [INN-French]; Midecamycinum [INN-Latin]; NSC 154011; Midecamicina [INN-Spanish]; Midecamycin [INN:DCF:JAN]; Midecamycin,(S); Medemycin (TN); NCGC00016830-01; EINECS 252-578-0; CAS-35457-80-8; Midecamycin (JP17/INN); DSSTox_CID_25463; DSSTox_RID_80894; DSSTox_GSID_45463; SCHEMBL141581; CHEMBL444963; DTXSID5045463; CHEBI:31845; C41H67NO15; (4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-(((2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-(((2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-(propionyloxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl propionate; ACT02621; HY-B1908; Tox21_110635; s5560; AKOS022185298; ZINC169368401; CCG-270507; CS-5909; DB13456; Leucomycin V, 3,4(sup B)-dipropanoate; Leucomycin V, 3,4B-dipropanoate (9CI); D01339; H10500; Midecamycin), Antibiotic for Culture Media Use Only; Q2636110; W-106669; 7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4',4''-dipropionate (ester); 7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4',4'-dipropionate (ester)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31845	DB13456	.	.	814	C41H67NO15	206	1360	2.6	57	3	16	14	"1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1"	CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C	DMUAPQTXSSNEDD-QALJCMCCSA-N
DG01119	Nabilone	5284592	"Nabilone; 51022-71-0; CHEMBL947; (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one; Lilly 109514; Nabilona; Nabilonum; Nabilonum [Latin]; Nabilona [Spanish]; Nabilone [USAN:INN:BAN]; CPD 109514; CPD-109514; 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-; 9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-; Cesamet (TN); (-)-Nabilone; ( )-Nabilone; Nabilone (USAN/INN); SCHEMBL33339; DEA No. 7379; DTXSID8023341; DTXSID401015800; ZINC1542930; BDBM50287941; Nabilone, solid, >=98% (HPLC); DB00486; (+-)-3-(1,1-Dimethylheptyl)-6,6abeta,7,8,10,10aalpha-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one; (+-)-trans-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo(b,d)pyran-9-on; (+-)-trans-3-(1,1-Dimethylheptyl-7,8,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo(b,d)pyran-9(6aH)-on; D05099; N-0100; 022N710; Q419079; UNII-2N4O9L084N component GECBBEABIDMGGL-RTBURBONSA-N; (+-)-trans-3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one; (-)-trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-one; (-)-trans-1-Hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-one; (-)-trans-3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9h-dibenzo[b,d]pyran-9-one; (6AR,10AR)-1-HYDROXY-6,6-DIMETHYL-3-(2-METHYLOCTAN-2-YL)-6H,6AH,7H,8H,9H,10H,10AH-BENZO[C]ISOCHROMEN-9-ONE; (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one; (6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-benzo[c]chromen-9-one; (6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one; 61617-09-2; 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, trans-, (+-)-; trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-one; trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-one; trans-3-(1',1'-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00486	.	.	372.5	C24H36O3	46.5	524	6.4	27	1	3	6	"1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1"	CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)O	GECBBEABIDMGGL-RTBURBONSA-N
DG01121	Oxycodone	5284603	"Oxycodone; Dihydrone; Dihydrohydroxycodeinone; Oxycodeinone; Dihydroxycodeinone; Oxicon; Diphydrone; Eucodalum; Oxycodon; Percobarb; Roxicodone; Oxycontin; 76-42-6; Dihydro-14-hydroxycodeinone; (-)-14-Hydroxydihydrocodeinone; Oxicodona; Oxycodonum; Oxycodonum [INN-Latin]; Oxicodona [INN-Spanish]; Percodan; Xtampza; Codeinone, dihydrohydroxy-; Codeinone, dihydro-14-hydroxy-; PTI-821; 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; UNII-CD35PMG570; Oxicone; 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; 14-Hydroxydihydrocodeinone; Oxanest; Endone; CD35PMG570; CHEBI:7852; Oxyfast; Supendol; PF-00345439; OxyIR; Eubine [France]; NSC-19043; Tekodin (free base); Supendol [Canada]; Endine (Australia); Ossicodone [DCIT]; Ossicodone; NSC 19043; Codeinone, 7,8-dihydro-14-hydroxy-; Oxycodone Concentrate; Oxycodone [USAN:INN:BAN]; Dihydrohydroxycondeinone; Avridi; Oxyneo; Pancodone Retard; Pancodone retard (United Kingdom); Xtampza ER; Apo-oxycodone CR; (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one; (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one; (-)-Oxycodone; CHEMBL656; HSDB 3142; Oxycodone (USAN/INN); EINECS 200-960-2; oxymorphone 3-methyl ether; BRN 0043446; Pavinal; 4,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; Oxycodone cii; N02AA05; Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-; Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-; SCHEMBL2737; Pti 821; GTPL7093; IDS-NO-002; PF06; DTXSID5023407; Codeinone,8-dihydro-14-hydroxy-; Oxycodone 0.1 mg/ml in Methanol; Oxycodone 1.0 mg/ml in Methanol; ZINC403533; 14-hydroxy-3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one; NSC19043; BDBM50370595; Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-; (5alpha)-14-hydroxy-17-methyl-3-(methyloxy)-4,5-epoxymorphinan-6-one; DB00497; AC-16043; C08018; D05312; Q407535; Morphinan-6-one,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-; Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- (8CI); Morphinan-6-one,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-; WLN: T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JO1 P1; 4aH-8,5-bcd]furan-5(6H)-one, 7,7a,8,9-tetrahydro-7a-hydroxy-3-methoxy-12-methyl-; Oxycodone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7852	DB00497	DR00392	.	315.4	C18H21NO4	59	553	1.2	23	1	5	1	"1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1"	CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O	BRUQQQPBMZOVGD-XFKAJCMBSA-N
DG01143	Butorphanol	5361092	"Butorphanol; Butorfanol; Butorphanol tartrate; Butorphanolum; 42408-82-2; levo-BC-2627; (-)-butorphanol; 17-(CYCLOBUTYLMETHYL)MORPHINAN-3,14-DIOL; Butorphanol (free base); (-)-17-(Cyclobutylmethyl)morphinan-3,14-diol; UNII-QV897JC36D; Butorfanol [INN-Spanish]; Butorphanolum [INN-Latin]; (-)-N-cyclobutylmethyl-3,14-dihydroxymorphinan; CHEMBL33986; CHEBI:3242; QV897JC36D; l-BC 2627; DEA No. 9720; Morphinan-3,14-diol, 17-(cyclobutylmethyl)-; (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol; EINECS 255-808-8; Butorphanol (USAN/INN); Butorphanol [USAN:INN:BAN]; L-3,14-dihydroxy-N-(cyclobutylmethyl)morphinan; SCHEMBL3749; BIDD:GT0549; GTPL7591; DTXSID1022714; 42408-82-2 (free base); ZINC3812988; BDBM50240437; N-cyclobutylmethyl-3,14-dihydroxymorphinan; L-N-Cyclobutylmethyl-3,14-dihydroxymorphinan; C06863; D03197; J-504151; Q-200770; Q1185089; (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4,10-diol; (4bS,8aS,9R)-11-(cyclobutylmethyl)-5,6,7,8,9,10-hexahydro-8aH-9,4b-(epiminoethano)phenanthrene-3,8a-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3242	DB00611	.	.	327.5	C21H29NO2	43.7	492	3.8	24	2	3	2	"1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1"	C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	IFKLAQQSCNILHL-QHAWAJNXSA-N
DG01145	Perchlozone	5374694	ISONICOTINALDEHYDE THIOSEMICARBAZONE; 4-Formylpyridine thiosemicarbazone; UNII-W2L5NM3ECQ; W2L5NM3ECQ; NSC 731; EINECS 214-848-6; BRN 0132697; perchlozone; Pyridine-4-carboxaldehyde thiosemicarbazone; AI3-52028; pyridine-4-carbaldehyde thiosemicarbazone; [(Z)-pyridin-4-ylmethylideneamino]thiourea; 5-21-07-00360 (Beilstein Handbook Reference); ZINC1587565	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	180.23	C7H8N4S	95.4	174	0.1	12	2	3	2	"1S/C7H8N4S/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H3,8,11,12)/b10-5-"	C1=CN=CC=C1/C=N\\NC(=S)N	QTSJJDIDTYFLFC-YHYXMXQVSA-N
DG01148	Nitrofurazone	5447130	"Nitrofurazone; Nitrofural; 59-87-0; Furacilin; Furacin; Furacillin; Actin-N; Aldomycin; Furacine; Furaldon; Nifuzon; 5-Nitro-2-furaldehyde semicarbazone; Babrocid; Chemofuran; Furacinetten; Furacoccid; Furacycline; Furaplast; Furaziline; Furazone; Mastofuran; Monafuracin; Nitrofurazan; Nitrozone; Otofuran; Alfucin; Amifur; Furesol; Mammex; Furazol W; 5-Nitrofurfural semicarbazone; Becafurazone; Biofuracina; Dermofural; Furametral; Furaseptyl; Furatsilin; Fuvacillin; Monafuracis; Monofuracin; Nitrofurol; Biofurea; Cocafurin; Coxistat; Dynazone; Eldezol; Fedacin; Flavazone; Fracine; Furacort; Furaderm; Furagent; Furalone; Furaskin; Furazin; Furazina; Furazyme; Furfurin; Furosem; Hemofuran; Ibiofural; Nifucin; Nifurid; Otofural; Sanfuran; Vabrocid; Vadrocid; Yatrocin; Chixin; Nefco; 5-Nitrofurazone; Furan-Ofteno; Spray-Dermis; Spray-Foral; Furacin-Hc; Nitrofuralum; Eldezol F-6; Furacilinum; Nitrofurane; Furacin-E; Nitrofuraldehyde semicarbazone; (5-Nitro-2-furfurylidenamino)urea; 5-Nitrofuraldehyde semicarbazide; Usaf ea-4; Rivafurazon; Fura-septin; Veterinary nitrofurazone; Nitrofuran (bactericide); NF-7; 6-Nitrofuraldehyde semicarbazide; 5-Nitro-2-furfural semicarbazone; 1-(5-Nitro-2-furfurylidene)semicarbazide; NSC-2100; 5-Nitrofuran-2-aldehyde semicarbazone; 5-Nitro-2-furfuraldehyde semicarbazone; NCI-C56064; 5-Nitro-2-furancarboxaldehyde semicarbazone; NFZ; UNII-X8XI70B5Z6; Nitrofural [INN]; Semikarbazon 5-nitrofurfuralu; Hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-; MFCD00003225; U-6421; 2-Furaldehyde, 5-nitro-, semicarbazone; 5-nitrofuran-2-carbaldehyde semicarbazone; 2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide; X8XI70B5Z6; NFS; 2-Furancarboxaldehyde, 5-nitro-, semicarbazone; NSC1602; NSC2100; component of Furea; (5-Nitro-2-furfurylideneamino)urea; Nitrofural (INN); NSC-1602; component of Furadex; component of Furacort; Hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-; NCGC00090686-04; NCGC00090686-07; Nitrofurazonum; DSSTox_CID_944; [(E)-(5-nitrofuran-2-yl)methylideneamino]urea; DSSTox_RID_75881; DSSTox_GSID_20944; 2-((5-Nitrofuran-2-yl)methylene)hydrazinecarboxamide; 2-[(5-Nitro-2-furanyl)methylene]hydrazinecarboxamide; WLN: T5OJ BNW E1UNMVZ; (2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide; Dymazone; Furalcyn; Acutol; 2-Furancarboxaldehyde, semicarbazone; Rivopon-5; SR-05000002027; 2-((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; Nitrofuralum [INN-Latin]; CHEBI:44368; CCRIS 1195; Nitrofurazone [USP:INN:BAN]; Nfz mix; HSDB 3136; CAS-59-87-0; NSC 1602; NSC 2100; Prestwick_806; 2-[(5-nitro-2-furyl)methylene]hydrazinecarboxamide; EINECS 200-443-1; Furacin (TN); 2((5-Nitro-2-furanyl)methylene)hydrazinecarboxamide; Nitrofurazone (USP); Semikarbazon 5-nitrofurfuralu [Polish]; BRN 0086403; AI3-17333; [(E)-(5-nitro-2-furyl)methyleneamino]urea; Prestwick2_000492; Prestwick3_000492; Spectrum5_001160; Nitrofurazone (Nitrofural); CHEMBL869; SCHEMBL25416; SCHEMBL25417; BSPBio_000383; BSPBio_002075; MLS002153843; SPECTRUM1500434; BPBio1_000423; component of Furea (Salt/Mix); component of Furadex (Salt/Mix); HMS502G20; (E)-2-((5-nitrofuran-2-yl)methylene)hydrazine-1-carboxamide; HMS1569D05; HMS1920B04; HMS2091J04; HMS2096D05; HMS3713D05; Pharmakon1600-01500434; HY-B0226; ZINC4802968; Tox21_110997; Tox21_202988; Tox21_400035; BDBM50420350; CCG-39642; NSC757244; s1644; STK741625; 1-(5-Nitrofurfurylidene)semicarbazide; 5-Nitro-2-furaldehyde, semicarbazone; 5-Nitro-2-furfurylidene semicarbazone; AKOS000304771; Tox21_110997_1; DB00336; LS41202; MCULE-5485227436; NSC-757244; IDI1_000778; NCGC00090686-01; NCGC00090686-02; NCGC00090686-03; NCGC00090686-05; NCGC00090686-06; NCGC00090686-08; NCGC00090686-11; NCGC00260533-01; 112574-44-4; AC-10331; BS-42205; H823; Semioxamazide, 1-(5-nitrofurfurylidene)-; SMR000059012; SBI-0051458.P003; AB00373885; N0200; C08042; D00862; AB00373885-04; AB00373885_05; AB00373885_06; Structure of 5-nitro-2-furaldehyde-semicarbazone; [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea; Q-201480; SR-05000002027-1; SR-05000002027-3; BRD-K79092138-001-05-2; BRD-K79092138-001-06-0; 5-Nitro-2-furaldehyde semicarbazone, >=97.0% (HPLC); Nitrofural, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone, United States Pharmacopeia (USP) Reference Standard; Nitrofural for peak identification, European Pharmacopoeia (EP) Reference Standard; Nitrofurazone solution, 100 mug/mL in acetonitrile, VETRANAL(TM), analytical standard; Nitrofurazone, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44368	.	.	DR1168	198.14	C6H6N4O4	126	261	0.2	14	2	5	2	"1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+"	C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N	IAIWVQXQOWNYOU-FPYGCLRLSA-N
DG01155	Proguanil	6178111	"Proguanil; Chloroguanide; Chlorguanide; Chlorguanid; Paludrin; Bigumal; 500-92-5; Proguanilum; 1-(p-Chlorophenyl)-5-isopropylbiguanide; Paludrine; N1-p-Chlorophenyl-N5-isopropylbiguanide; 1-Isopropyl-5-(4-chlorophenyl)biguanide; UNII-S61K3P7B2V; CHEBI:8455; N-(4-Chlorophenyl)-N'-(isopropyl)-imidodicarbonimidic diamide; Imidodicarbonimidic diamide, N-(4-chlorophenyl)-N'-(1-methylethyl)-; N1-(4-Chlorophenyl)-N5-isopropylbiguanide; S61K3P7B2V; BIGUANIDE, 1-(p-CHLOROPHENYL)-5-ISOPROPYL-; Proguanile [DCIT]; Proguanile; N-(4-chlorophenyl)-N'-(propan-2-yl)imidodicarbonimidic diamide; N-(4-Chlorophenyl)-N'-(1-methylethyl)imidodicarbonimidic diamide; Proguanil [INN:BAN]; RP-3359; Proguanilum [INN-Latin]; (hydrochloride); Tirian (hydrochloride); Palusil (hydrochloride); Diguanyl (hydrochloride); Drinupal (hydrochloride); NCGC00016528-01; CAS-637-32-1; Paludrine (hydrochloride); EINECS 207-915-6; M-4888 (hydrochloride); BRN 2811599; SN-12837 (hydrochloride); MFCD00866201; Proguanil (INN); NSC12977; Spectrum_001588; SpecPlus_000667; Prestwick0_000999; Prestwick1_000999; Prestwick2_000999; Prestwick3_000999; Spectrum2_001135; Spectrum3_001659; Spectrum4_000622; Spectrum5_001384; CHEMBL1377; SCHEMBL45726; BSPBio_001097; BSPBio_003417; KBioGR_001204; KBioSS_002068; 4-12-00-01198 (Beilstein Handbook Reference); BIDD:GT0576; DivK1c_006763; SPBio_001029; SPBio_002988; BPBio1_001207; DTXSID3022794; SCHEMBL16894670; SCHEMBL17300525; KBio1_001707; KBio2_002068; KBio2_004636; KBio2_007204; KBio3_002637; HY-B0806; (4-chlorphenyl)-5-isopropylbiguanid; BDBM50227829; s5927; CS-6234; DB01131; N'-4-chlorophenyl-n5-isopropylbiguanide; NCGC00016528-02; NCGC00016528-03; CS-12345; SBI-0052839.P002; AB00053776; V0783; C07631; D08428; AB00053776_05; A901482; BRD-K28183345-003-05-6; BRD-K28183345-003-07-2; 1-(4-Chlorophenyl)-3-(N-isopropylcarbamimidoyl)guanidine; 1-(4-chlorophenyl)-5-isopropylbiguanide;N1-(4-Chlorophenyl)-N5-isopropylbiguanide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8455	DB01131	.	DR1347	253.73	C11H16ClN5	88.8	292	1.5	17	3	1	4	"1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)"	CC(C)N=C(N)/N=C(\\N)/NC1=CC=C(C=C1)Cl	SSOLNOMRVKKSON-UHFFFAOYSA-N
DG01156	Rifamycin	6324616	"RIFAMYCIN; Rifamycin SV; Rifocin; Rifamicine SV; Rifomycin SV; Rifamicina; Rifamycine; Rifamycinum; Rifocyn; 6998-60-3; CB-01-11; UNII-DU69T8ZZPA; DU69T8ZZPA; CHEBI:29673; 6998-60-3 (free acid); M-14; Aemcolo; Rifamycine [INN-French]; Rifamycinum [INN-Latin]; Rifamicina [INN-Spanish]; (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate; RIFOMYCIN; C37H47NO12; 15105-92-7; EINECS 230-273-3; Tuborin; rifamycin-sv; NSC133100; Rifamycin [USAN:INN:BAN:DCF]; Rifamycin (USAN/INN); SCHEMBL151824; CHEMBL437765; GTPL4570; DTXSID1032014; 8248AH; BDBM50391000; LMPK05000005; AKOS024281286; ZINC169633673; DB11753; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate; Rifamycin SV, an antibiotic produced by certain strains of Streptomyces mediterranei, or the same substance produced by any other means; D02549; SR-01000872597; SR-01000872597-1; (pentahydroxy-methoxy-heptamethyl-dioxo-[ ]yl) acetate; Q26270990; (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate; (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate; (7S,11S,13S,17S,18S,12R,14R,15R,16R)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7 ,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1<4, 7>.0<5,28>]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate; [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate; 2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29673	DB11753	DR00614	.	697.8	C37H47NO12	201	1330	4.9	50	6	12	3	"1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1"	C[C@H]1/C=C/C=C(\\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C	HJYYPODYNSCCOU-ODRIEIDWSA-N
DG01158	Saralasin	6324663	"Saralasin; 34273-10-4; (Sar1,Val5,Ala8)-Angiotensin II; Sar-Arg-Val-Tyr-Val-His-Pro-Ala; UNII-H2AFV2HE66; CHEMBL938; H2AFV2HE66; (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid; Saralasina; Saralasine; Saralasinum; Saralasinum [INN-Latin]; Saralasin [INN:BAN]; Saralasine [INN-French]; Saralasina [INN-Spanish]; NCGC00166135-01; Angiotensin II, 1-(N-methylglycine)-5-L-valine-8-L-alanine-; SCHEMBL23; DSSTox_CID_26549; DSSTox_RID_81710; DSSTox_GSID_46549; 1-Sar-8-Ala-angiotensin II; DTXSID2046549; CHEBI:135894; (1-(N-Methylglycin) 5-L-valin, 8-L-alanin)angiotensin II; Tox21_112332; BDBM50009338; BDBM50229504; AKOS024456428; Sar-Arg-Val-Tyr-Val-His-Pro-Ala-OH; ZINC169289386; DB06763; NCGC00167316-01; N-(1-(N-(N-(N-(N-(N2-(N-methylglycly)-L-arginyl)-L-valyl)-L-tyrosyl)-L-valyl)-L-histidyl)-L-prolyl)-L-alanine; CAS-34273-10-4; Sar-Arg-Val-Tyr-Val-His-Pro-Ala (sarlasin); [Sar1-Arg2-Val3-Tyr4-Val5-His6-Pro7-Ala8]; Q410298; (S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-4-yl)methyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9,15-diisopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid; (S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(diaminomethyleneamino)-2-(2-(methylamino)acetamido)pentanamido)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-5-carboxamido)propanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135894	.	.	.	912	C42H65N13O10	358	1670	-2.6	65	12	13	25	"1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1"	C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC	PFGWGEPQIUAZME-NXSMLHPHSA-N
DG01165	Guggulsterone	6450278	"(Z)-Guggulsterone; Z-Guggulsterone; Guggulsterone; 39025-23-5; 95975-55-6; Guggulsterones Z; Guggulsterone E&Z; GUGGULSTERONE Z; Cis-Guggulsterone; UNII-6CST3U34GN; 6CST3U34GN; (Z)-Pregna-4,17(20)-diene-3,16-dione; Pregna-4,17(20)-diene-3,16-dione; (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; (17Z)-Pregna-4,17(20)-diene-3,16-dione; Gugulsterone; Guggulsterone, (Z)-; Pregna-4,17(20)-diene-3,16-dione, (17Z)-; Guggulsterones E&Z; GS; (E&Z)-Guggulsterone; DSSTox_CID_13539; DSSTox_RID_79083; DSSTox_GSID_33539; SCHEMBL141657; CHEMBL410683; DTXSID1033539; BDBM21725; CHEBI:135338; BCP18087; Tox21_202518; MFCD01310757; AKOS015963432; ZINC118912814; (Z)-Guggulsterone, analytical standard; AC-6215; CCG-267610; NCGC00091910-01; NCGC00260067-01; AC-28813; AS-79083; (17Z)-pregna-4,17-diene-3,16-dione; 4,17(20)-trans-Pregnadiene-3,16-dione; CAS-39025-23-5; HY-107738; CS-0029421; S3792; V2228; (Z)-Guggulsterone, >=89% (HPLC), powder; 2-(2-Aminothiazol-3(2H)-yl)-1-phenylethanone; 975G556; BRD-K26674531-001-01-3; Q27264514; UNII-A4PW148END component WDXRGPWQVHZTQJ-OSJVMJFVSA-N; Guggulsterone Z, United States Pharmacopeia (USP) Reference Standard; (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135338	.	.	.	312.4	C21H28O2	34.1	640	3.9	23	0	2	0	"1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1"	C/C=C/1\\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	WDXRGPWQVHZTQJ-OSJVMJFVSA-N
DG01166	Axitinib	6450551	"Axitinib; 319460-85-0; AG-013736; Inlyta; AG 013736; (E)-N-Methyl-2-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide; UNII-C9LVQ0YUXG; AG-13736; AG013736; C9LVQ0YUXG; N-methyl-2-((3-((1E)-2-(pyridin-2-yl)ethenyl)-1H-indazol-6-yl)sulfanyl)benzamide; CHEBI:66910; (E)-N-methyl-2-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-ylthio)benzamide; N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide; MFCD09837898; NSC757441; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide; NSC-757441; NCGC00241108-01; S1005; DSSTox_CID_28975; DSSTox_RID_83240; DSSTox_GSID_49049; Axitinib (AG 013736); C22H18N4OS; N-methyl-2-({3-[(E)-2-(pyridin-2-yl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide; CAS-319460-85-0; axitinibum; Axitinib [USAN:INN:JAN]; 4agc; Inlyta (TN); AG13736; 4ag8; Axitinib (JAN/USAN); AG-013736;Axitinib; Axitinib,AG-013736; MLS006010164; SCHEMBL172918; GTPL5659; Axitinib, >=98% (HPLC); CHEMBL1289926; DTXSID3049049; N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide; SCHEMBL22930506; BDBM25117; CHEBI:94568; EX-A337; QCR-109; SYN1014; BCPP000372; AOB87786; BCP01371; ZINC3816287; Tox21_113597; NSC799341; AKOS015902898; Tox21_113597_1; AC-1539; BCP9000345; CCG-264772; CS-0116; DB06626; KS-1448; NSC 757441; NSC-799341; Benzamide, N-methyl-2-((3-((E)-2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)-; NCGC00241108-04; NCGC00241108-06; HY-10065; SMR002530046; AM20090673; SW219464-1; D03218; AB01274739-01; AB01274739_02; 460A850; SR-01000941566; J-502064; Q-200662; Q4830631; SR-01000941566-1; BRD-K29905972-001-01-4; BRD-K29905972-001-02-2; Benzamide, N-methyl-2-((3-((1E)-2-(2-pyridinyl)ethenyl)-1H-indazo)-6-yl)thio)-; Benzamide, N-methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-; N-Methyl-[[3[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-benzamide; N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide; N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66910	DB06626	DR00035	DR0162	386.5	C22H18N4OS	96	557	4.2	28	2	4	5	"1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+"	CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4	RITAVMQDGBJQJZ-FMIVXFBMSA-N
DG01170	Delamanid	6480466	"Delamanid; 681492-22-8; OPC-67683; Delamanid (OPC-67683); UNII-8OOT6M1PC7; OPC 67683; (R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1-yl)phenoxy)methyl)-2,3-dihydroimidazo[2,1-b]oxazole; 8OOT6M1PC7; MMV688262; (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole; (2R)-2,3-Dihydro-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]phenoxy]methyl]imidazo[2,1-b]oxazole; (2R)-2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole; (R)-2-methyl-6-nitro-2-{4-[4-(4-trifluoromethoxyphenoxy)piperidin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole; (2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole; (R)-2-methyl-6-nitro-2-(4-[4-(4-trifluoromethoxyphenoxy)piperidin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole; Deltyba (TN); Delamanid (JAN/USAN); OPC-67683; Delamanid; SCHEMBL57791; Delamanid [USAN:INN:JAN]; CHEMBL218650; DTXSID60218326; CHEBI:134742; BCP07838; EX-A2414; MFCD18251539; NSC794689; s5007; ZINC43100810; AKOS025289781; CCG-269934; CS-5866; DB11637; NSC-794689; SB14863; NCGC00348214-01; (2R)-2-Methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)piperidin-1- yl)phenoxy)methyl)-2,3-dihydroimidazo(2,1-b)oxazole; AS-56105; Delamanid; OPC 67683; OPC67683; HY-10846; Imidazo(2,1-b)oxazole, 2,3-dihydro-2-methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-, (2R)-; D09785; A856044; Q15408413; (2R)-2-Methyl-6-nitro-2-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidino]phenoxymethyl]-2,3-dihydroimidazo[2,1-b]oxazole; [(2R)-2-methyl-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazol-6-yl]azinic acid; 2-Methyl-6-nitro-2-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-2,3-dihydroimidazo[2,1-b]oxazole, (2R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134742	.	.	DR0432	534.5	C25H25F3N4O6	104	795	5.6	38	0	11	7	"1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1"	C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F	XDAOLTSRNUSPPH-XMMPIXPASA-N
DG01172	Nifurtimox	6842999	"NIFURTIMOX; Lampit; Bayer 2502; 23256-30-6; Nifurtimoxum; BAY 2502; CHEBI:7566; BAYER-2502; BAY-A2502; BAY-2502; DNDI1613515; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide; 4-Thiomorpholinamine, 3-methyl-N-[(5-nitro-2-furanyl)methylene]-, 1,1-dioxide; Nifurtimox [INN:BAN]; 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine 1,1-dioxide; Nifurtimoxum [INN-Latin]; UNII-X4KCV4ZI9M; CCRIS 2201; X4KCV4ZI9M; UNII-1G5DD3P35C; SR-01000838852; EINECS 245-531-0; 1G5DD3P35C; 4-[(5-Nitrofurfurylidene)amino]-3-methylthiomorpholine 1,1-dioxide; ()-Nifurtimox; (-)-Nifurtimox; Nifurtimox, ()-; Lampit (TN); Nifurtimox, (+)-; Nifurtimox, (-)-; 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine-1,1-dioxide; Nifurtimox (USAN/INN); Prestwick2_001024; Prestwick3_001024; 1-((5-Nitrofurfurylidene)amino)-2-methyltetrahydro-1,4-thiazine-4,4-dioxide; 3-Methyl-N-[(5-nitro-2-furanyl)methylene]-4-thiomorpholinamine 1,1-dioxide; Tetrahydro-3-methyl-4-((5-nitrofurfurylidene)amino)-2H-1,4-thiazine 1,1-dioxide; BSPBio_001207; BPBio1_001329; CHEMBL290960; SCHEMBL1650162; Nifurtimox, >=98% (HPLC); BAY A2502; CHEBI:91472; BAY2502; KUC114565N; EX-A4624; BDBM50259708; s6459; Thiomorpholine, 3-methyl-4-((5-nitrofurfurylidene)amino)-, 1,1-dioxide; CS-W020813; DB11820; HY-W040073; KSC-427-39-1; C08002; D00833; A912676; J-015055; SR-01000838852-2; SR-01000838852-3; BRD-A84020532-001-03-5; BRD-A84020532-001-04-3; (E)-3-methyl-4-(((5-nitrofuran-2-yl)methylene)amino)thiomorpholine 1,1-dioxide; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide, ()-; 4-Thiomorpholinamine, 3-methyl-N-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide, (-)-; N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine; 39072-15-6; 39072-16-7"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7566	DB11820	DR01396	.	287.29	C10H13N3O5S	117	467	1.3	19	0	7	2	"1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+"	CC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-]	ARFHIAQFJWUCFH-IZZDOVSWSA-N
DG01182	Panobinostat	6918837	"Panobinostat; 404950-80-7; LBH589; LBH-589; Farydak; Panobinostat (LBH589); Faridak; LBH 589; (E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide; NVP-LBH589; NVP-LBH-589; UNII-9647FM7Y3Z; LBH-589B; CHEBI:85990; 9647FM7Y3Z; 404950-80-7 (free base); (E)-N-HYDROXY-3-(4-{[2-(2-METHYL-1H-INDOL-3-YL)-ETHYLAMINO]-METHYL}-PHENYL)-ACRYLAMIDE; (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide; panobinostat hydrate; Farydak (TN); (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide; (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide; (E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide; 2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-; Panobinostat [USAN:INN]; 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-; Panobinostat(LBH589); LBH589 - Panobinostat; Panobinostat (USAN/INN); N-Hydroxy-3-[4-[2-(2-methyl-1H-indol-3-yl)ethylaminomethyl]phenyl]-2(E)-propenamide; MLS006011216; NVP-LBH 589; SCHEMBL164801; SCHEMBL183197; CHEMBL483254; GTPL7489; SCHEMBL22773814; BDBM29589; CHEBI:93774; DTXSID40193506; EX-A169; N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide; BCPP000187; BDBM198124; AOB87727; BCP01816; LBH58,9NVP-LBH589,Panobinostat; (LBH-589); MFCD09833242; NSC761190; s1030; ZINC22010649; AKOS005146046; BCP9000844; CCG-208762; CS-0267; DB06603; EX-8456; NSC-761190; (2E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide; (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enehydroxamic acid; NCGC00263117-05; NCGC00263117-07; 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-; AC-28652; AM808102; AS-17046; HY-10224; QC-10419; SMR004702978; DB-025426; SW219369-1; W6096; EC-000.2287; A25218; D10319; J-523585; Q7131441; BRD-K02130563-001-07-2; (E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indole-3-yl)ethyl]amino]methyl]phenyl]acrylamide; N-hydroxy-3 -[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide; N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2E-2-propenamide; Panobinostat;(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85990	DB06603	DR00181	.	349.4	C21H23N3O2	77.2	474	3	26	4	3	7	"1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+"	CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO	FPOHNWQLNRZRFC-ZHACJKMWSA-N
DG01184	Thiacetazone	9568512	"Thiacetazone; Thioacetazone; AMITHIOZONE; Ambathizon; Benzothiozane; Conteben; Benzothiozon; Thiocarbazil; Benthiozone; Thioparamizone; Parazone; Thioacetazon; Thibone; Tibon; Tubin; Siocarbazone; Tebethione; Thiacetone; Thiacetozone; Thioazetazone; Thioparamizon; Thiotebesin; Thiotebezin; Thiotebicina; Tiacetazon; Tioacetazon; Tioatsetazon; Tubercazon; Aktivan; Amitiozon; Berkazon; Domakol; Livazone; Mivizon; Myvizone; Neotibil; Neustab; Novakol; Panrone; Seroden; Tebalon; Tebecure; Tebemar; Tebethion; Tebezon; Thiomicid; Thionicid; Thizone; Tibicur; Tibizan; Tiobicina; Tiocarone; Tiosecolo; Tubigal; Antib; Diasan; Ilbion; Thibon; Tibone; Berculon A; Tebesone I; 104-06-3; Nuclon argentinian; Thiosemicarbarzone; TB I (Bayer); 4-Acetylaminobenzaldehyde thiosemicarbazone; TB I; Thiosemicarbazone; Domagk's T.B.1 conteben; Thioacetazonum; Tibione; 4'-Formylacetanilide thiosemicarbazone; Sdt 1041; Magk's T.B.1 conteben; Tb I/698; p-Acetaminobenzylidenethiosemicarbazone; Tibion; CBC 903150; p-Formylacetanilide-3-thiosemicarbazone; SQ 2321; p-Acetamidobenzaldehyde thiosemicarbazone; p-Acetoaminobenzaldehyde thiosemicarbazone; UNII-MMG78X7SSR; A 4081; 4207 RP; RP 4207; Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-; p-Acetylaminobenzadehyde thiosemicarbazone; MMG78X7SSR; Acetamide, N-(4-(((aminothioxomethyl)hydrazono)methyl)phenyl)-; NSC3550; Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone); NSC-3550; p-Acetamidobenzaldehyde thiosemicarbazon; NCGC00159389-02; NCGC00159389-03; NCGC00159389-04; p-Acetylaminobenzaldehyde thiosemicarbazone; DSSTox_CID_2593; DSSTox_RID_76650; DSSTox_GSID_22593; N-(4-((2-Carbamothioylhydrazono)methyl)phenyl)acetamide; Mirizone neustab; Tioacetazona; Thioacetazone [INN:BAN]; Thioacetazonum [INN-Latin]; Tioacetazona [INN-Spanish]; CAS-104-06-3; Tb I-698; Thiosemicarbazone (pharmaceutical); NSC 3550; EINECS 203-170-6; BRN 2810335; N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide; N-{4-[(E)-(Carbamothioylhydrazono)methyl]phenyl}acetamide; Citazone; Acetamide, N-(4-(((aminothiomethyl)hydrazono)methylene)phenyl)-; Acetamide, N-[4-[[(aminothiomethyl)hydrazono]methylene]phenyl]-; AI3-18591; 4207RP; Citazone (TN); Acetanilide, 4'-formyl-, thiosemicarbazone; Thioacetazone (INN); SCHEMBL42515; Acetanilide, thiosemicarbazone; WLN: SUYZMNU1R DMV1; 4-14-00-00075 (Beilstein Handbook Reference); N-(4-([2-(Aminocarbothioyl)hydrazono]methyl)phenyl)acetamide; N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide; Acetamide, N1-(4-([2-(aminocarbothioyl)hydrazono]methyl)phenyl); CHEMBL375492; TB-1; Acetamide, N-[4-[[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-; DTXSID80859179; EX-A101; CHEBI:134958; HY-B1526; Tox21_111625; Tox21_111626; Acetanilide, 4'-(thiosemicarbazone); BDBM50247903; MFCD00022157; N-{4-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl}acetamide; RP4207; SQ2321; STL503688; ZINC32709513; AKOS000304458; Tox21_111625_1; DB12829; SQ-2321; 4-Acetamidobenzaldehyde thiosemicarbazone; AS-71466; CS-0013329; D08584; A800888; SR-01000872620; SR-01000872620-2; N-{4-[(E)-[(carbamothioylamino)imino]methyl]phenyl}acetamide; N-(4-{(E)-[(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; 910379-02-1; N-[4-[(2-Carbamothioylhydrazono)methyl]phenyl]acetamide;N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134958	.	.	DR2518	236.3	C10H12N4OS	112	285	1	16	3	3	3	"1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+"	CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)N	SRVJKTDHMYAMHA-WUXMJOGZSA-N
DG01185	Esomeprazole	9568614	"Esomeprazole; (S)-Omeprazole; 119141-88-7; (-)-Omeprazole; (S)-(-)-Omeprazole; Nexium; Alenia; Esofag; Escz; Inexium paranova; (S)-Esomeprazole; Omeprazole S-form; Esomeprazole Sodium; UNII-N3PA6559FT; Nexiam; (S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole; N3PA6559FT; CHEBI:50275; esomeprazol; 1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-; esomeprazolum; Esomeprazole [INN:BAN]; (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole; Esomeprazole (INN); Inexium paranova (TN); IZRA 40; HSDB 8158; A02BC05; r-(+)-omeprazole; Omeprazole, (s)-; 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole; SCHEMBL19535; BIDD:GT0020; GTPL5488; CHEMBL1201320; DTXSID4044292; QCR-180; ZINC4693575; AKOS015900821; AKOS016001455; AM84543; DB00736; 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole; AS-77669; D07917; Q553223; BRD-K61443506-001-01-0; UNII-KG60484QX9 component SUBDBMMJDZJVOS-DEOSSOPVSA-N; (5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2-[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole; (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]1H-benzimidazole; (S)-5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole; (s)-5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethane-sulfinyl)-1h-benzimidazole; (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl) methylsulfinyl]1-H-benzimidazole; (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole; (s)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3h-benzimidazole; (s)-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole; (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole; 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole; (+)-(5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole; 326602-80-6; 5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl]-1H-1,3-benzodiazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50275	DB00736	.	DR0627	345.4	C17H19N3O3S	96.3	453	2.2	24	1	6	5	"1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1"	CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC	SUBDBMMJDZJVOS-DEOSSOPVSA-N
DG01190	Midostaurin	9829523	"Midostaurin; PKC412; 120685-11-2; Cgp 41251; PKC-412; 4'-N-Benzoylstaurosporine; Benzoylstaurosporine; CGP-41251; RYDAPT; PKC 412; UNII-ID912S5VON; N-Benzoylstaurosporine; ID912S5VON; CHEMBL608533; CHEBI:63452; N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide; Cgp 41 251; Midostaurin [USAN:INN]; CGP 41231; NSC-656576; Rydapt (TN); Midostaurin(PKC412); 4-N-benzoylstaurosporine; Staurosporine, N-Benzoyl; NVP-PKC412; Midostaurin (JAN/USAN/INN); GTPL5702; SCHEMBL8295379; HMS3229K17; EX-A1741; BDBM50326053; CGP-41521; MFCD00871372; NSC800791; s8064; AKOS024457372; ZINC100013130; CCG-101288; CS-3331; DB06595; NSC 656576; NSC-800791; NCGC00241102-01; NCGC00241102-02; NCGC00241102-05; NCGC00484987-03; AC-31929; Benzamide, N-(2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-1-oxo-8,12-epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-10-yl)-N-methyl-, (8alpha,9beta,10beta,12alpha)-; HY-10230; N-((9S,10R,11R,13R)-10-methoxy-9-methyl-1-oxo-2,3,10,11,12,13-hexahydro-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methylbenzamide; C71714; D05029; J-004379; Q6842945; BRD-K13646352-001-01-2; [9S-(9 ,10 ,11 ,13 )]-N-(2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl)-N-methylbenzamide; Benzamide, N-((9S,10R,11R,13R)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methyl-; N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide; N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63452	DB06595	DR01370	DR1090	570.6	C35H30N4O4	77.7	1140	4.8	43	1	4	3	"1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC	BMGQWWVMWDBQGC-IIFHNQTCSA-N
DG01191	Cabazitaxel	9854073	"CABAZITAXEL; 183133-96-2; Jevtana; Taxoid XRP6258; Cabazitaxelum; TXD 258; Xrp6258; XRP-6258; UNII-51F690397J; XRP 6258; Jevtana (TN); CHEBI:63584; NSC-761432; 51F690397J; kabazitaxel; Jevtana Kit; Cabazitaxel (Jevtana); (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate.; cabazitaxel acetonate; Cabazitaxel Injection; Cabazitaxel [USAN:INN]; Jevanta; TXD258; RPR 116258A; RPR-116258A; Cabazitaxel (USAN/INN); SCHEMBL179674; GTPL6798; CHEMBL1201748; AMY4317; DTXSID40171389; EX-A838; TXD-258; C45H57NO14; MFCD18827611; NSC761432; NSC794609; s3022; ZINC85536932; AKOS032947285; CCG-270519; CS-0972; DB06772; NSC 761432; NSC-794609; NCGC00346704-01; NCGC00346704-03; AS-75355; HY-15459; X7252; A25044; D09755; AB01273971-01; AB01273971_02; Q412963; SR-01000941585; J-011721; J-519981; SR-01000941585-1; (((tertbutoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate1-hydroxy-7beta,10beta-dimethoxy-9-oxo-5beta,20-epoxytax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-; (1S)-5beta,20-Epoxy-9-oxo-7beta,10beta-dimethoxytaxa-11-ene-1,2alpha,4alpha,13alpha-tetraol 2-benzoate 4-acetate 13-[(2R,3S)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionate]; (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3),(1) .0 , ]heptadec-13-en-2-yl benzoate; (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate; (2alpha,5beta,7beta,10beta,13alpha)-4-acetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; (2AR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,1; (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate; [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; 1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-ene-2,4,13-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((tertbutoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate); 1-hydroxy-7 ,10 -dimethoxy-9-oxo-5 ,20-epoxytax-11-ene-2 ,4,13 -triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate]; Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63584	DB06772	.	DR0252	835.9	C45H57NO14	202	1690	2.7	60	3	14	15	"1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC	BMQGVNUXMIRLCK-OAGWZNDDSA-N
DG01197	Tocotrienol	9929901	"Tocotrienol; 6829-55-6; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol; Tocotrienols; (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol; CCRIS 7711; CHEMBL120643; SCHEMBL1081622; SCHEMBL1448780; DB12647; NCGC00186586-01; Q27236375; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol; 3,4-Dihydro-2-methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12647	.	.	382.6	C26H38O2	29.5	567	8.2	28	1	2	9	"1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+"	CC(=CCC/C(=C/CC/C(=C/CCC1(CCC2=C(O1)C=CC(=C2)O)C)/C)/C)C	GJJVAFUKOBZPCB-ZGRPYONQSA-N
DG01198	Rucaparib	9931954	"RUCAPARIB; 283173-50-2; Rubraca; Rucaparib free base; AG-14447; Rucaparib (free base); UNII-8237F3U7EH; Kinome_3180; 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one; 8237F3U7EH; 283173-50-2 (free base); 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-1,3,4,5-tetrahydro-6H-azepino(5,4,3-cd)indol-6-one; 8-FLUOR-2-{4-[(METHYLAMINO)METHYL]FENYL}-1,3,4,5-TETRAHYDRO-6HAZEPINO[5,4,3-CD]INDOOL-6-ON; 8-fluoro-2-(4-methylaminomethyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one; 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-; 8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-4,5-DIHYDRO-1H-AZEPINO[5,4,3-CD]INDOL-6(3H)-ONE; C19H18FN3O; 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one; Rucaparib [USAN:INN]; PF 01367338; 8-Fluoro-2-[4-[(methylamino)methyl]phenyl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one; RPB; Rucaparib (USAN/INN); Rucaparib(AG-014447); SCHEMBL844585; GTPL7736; CHEMBL1173055; CHEBI:94311; ZINC25958; DTXSID10182563; CHEBI:134689; BCP07633; EX-A2700; BDBM50446130; HY-10617A; NSC756644; s4948; AKOS015898427; AG14447; DB12332; NSC-756644; SB16538; NCGC00263173-01; NCGC00263173-03; NCGC00263173-09; NCGC00263173-13; 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one; 6H-Azepino(5,4,3-cd)indol-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-; 6H-Pyrrolo(4,3,2-ef)(2)benzazepin-6-one, 8-fluoro-1,3,4,5-tetrahydro-2-(4-((methylamino)methyl)phenyl)-; AC-24390; AS-74779; FT-0696622; A14182; C74459; D10079; Rucaparib; AG 014699; PF-01367338; A856084; Q7376558; BRD-K88560311-011-01-4; 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.0^{4,13]trideca-1,4,6,8(13)-tetraen-9-one; 6-fluoro-2-{4-[(methylamino)methyl]phenyl}-3,10-diazatricyclo[6.4.1.0 ,(1)(3)]trideca-1,4,6,8(13)-tetraen-9-one; 6H-Pyrrolo[4,3,2-ef][2]benzazepin-6-one,8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]; 8-fluoro-5-(4-((methylamino)methyl)phenyl)-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94311	DB12332	.	DR1449	323.4	C19H18FN3O	56.9	466	2.5	24	3	3	3	"1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)"	CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2	HMABYWSNWIZPAG-UHFFFAOYSA-N
DG01206	Tedizolid	11234049	"Tedizolid; Torezolid; 856866-72-3; TR-700; Sivextro; DA-7157; Da 7157; UNII-97HLQ82NGL; TR 700; CHEBI:82717; 97HLQ82NGL; (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one; (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one; (R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; Tedizolid [USAN:INN]; previously torezolid; torezolid; Sivextro; Tedizolid (USAN/INN); SCHEMBL440398; CHEMBL1257051; GTPL10865; DTXSID10234975; TR700; 1431699-67-0; BCP02830; EX-A5826; BDBM50491954; MFCD19442562; s5278; ZINC43100956; AKOS025401974; CCG-268294; CS-0687; DB14569; NCGC00379072-02; (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridyl]phenyl]-5-(hydroxymethyl)oxazolidin-2-one; AC-27738; AS-56108; HY-14855; A14965; D09685; Q7825683; (5R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; (5R)-3-{3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-2-oxazolidinone; (R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-hydroxymethyl oxazolidin-2-on; (R)-3-(4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)-5-hydroxymethyl oxazolidin-2-one; 2-Oxazolidinone, 3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl)phenyl)-5-(hydroxymethyl)-, (5R)-; 3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-(hydroxymethyl)oxazolidin-2-one; 3-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)pyridin-3-yl)phenyl)-5-hydroxymethyloxazolidin-2-one; U7V"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82717	.	.	.	370.3	C17H15FN6O3	106	543	1.4	27	1	8	4	"1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1"	CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F	XFALPSLJIHVRKE-GFCCVEGCSA-N
DG01209	Eribulin	11354606	"Eribulin; 253128-41-5; Halaven; UNII-LR24G6354G; ER 086526; CHEBI:63587; LR24G6354G; 2-(3-Amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one; Eribulin [INN]; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1(3,32).1(3,33).1(6,9).1(12,16).0(18,22).0(29,36).0(31,35)]hentetracontan-24-one; NSC-707389; ER-086526; (1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-Amino-2-Hydroxypropyl]-21-Methoxy-14-Methyl-8,15-Dimethylidene-2,19,30,34,37,39,40,41-Octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-One (Non-Preferred Name); B 1939; e7389-lf; GTPL6813; CHEMBL1683590; SCHEMBL15783821; DTXSID101009321; ZINC169344691; DB08871; NCGC00510497-02; HY-13442; Q408717; (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-o"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63587	DB08871	.	DR0601	729.9	C40H59NO11	146	1380	1.1	52	2	12	4	"1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1"	C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	UFNVPOGXISZXJD-JBQZKEIOSA-N
DG01214	Dacomitinib	11511120	"Dacomitinib; 1110813-31-4; PF299804; Dacomitinib (PF299804, PF299); PF-00299804; UNII-2XJX250C20; (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide; (E)-N-(4-((3-chloro-4-fluorophenyl)aMino)-7-Methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enaMide; 2XJX250C20; PF 00299804-03; Vizimpro; PF-299804; PF-00299804-03; (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide; C24H25ClFN5O2; (2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-Enamide; Dacomitinib [USAN:INN]; dacomitinibum; PF299; (E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide; Dacomitinib (INN); Dacomitinib anhydrous; Dacomitinib (PF299804); MLS006011275; GTPL7422; CHEMBL2110732; PF-00299804 dacomitinib; CHEBI:91466; DTXSID50149493; EX-A030; QCR-174; CHEBI:132268; BDBM112499; Dacomitinib (PF-00299804); AMY21292; AOB87383; AOB87735; BCP02530; MFCD19443734; NSC765888; NSC800084; PF-299; s2727; ZINC72266312; AKOS025401818; CCG-264987; CS-0500; DB11963; NSC-765888; NSC-800084; US8623883, No. 2; NCGC00263185-09; NCGC00263185-10; AC-25915; AS-57686; HY-13272; SMR004703025; PF299804; ; ; PF299; D5450; SW219155-1; Y0338; D09883; Dacomitinib (PF299804, PF-00299804); PF-299804 (Dacomitinib PF-00299804); J-500784; Q17130597; (2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide; (E)-N-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide; (E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide; 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91466	DB11963	DR00109	DR0407	469.9	C24H25ClFN5O2	79.4	665	4.4	33	2	7	7	"1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+"	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4	LVXJQMNHJWSHET-AATRIKPKSA-N
DG01217	Lasmiditan	11610526	"Lasmiditan; 439239-90-4; 2,4,6-Trifluoro-N-(6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl)benzamide; COL-144; lasmitidan; UNII-760I9WM792; LY573144; 2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide; 439239-90-4 (free base); 760I9WM792; 2,4,6-Trifluoro-N-(6-((1-methylpiperidine-4-yl)carbonyl)pyridin-2-yl)benzamide; 2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide; Lasmiditan [USAN:INN]; Reyvow; COL 144; Lasmiditan (USAN/INN); SCHEMBL536057; GTPL3928; CHEMBL3039520; DTXSID40469435; QCR-219; AMY27880; BCP04734; EX-A1300; EX-A1653; ZINC3818355; 6063AB; MFCD18633238; s5064; AKOS016000352; BCP9000841; CS-2032; DB11732; Lasmiditan; OL-144; LY573144; SB19007; COL-144; LY573144; Lasmiditan (COL-144; LY573144); AS-35247; HY-14861; BCP0726000027; A14198; D10338; L022410; Q6493750; 2,4,6-trifluoro-N-[6-(1-methyl-piperidin-4-ylcarbonyl)-pyridin-2-yl]-benzamide; 2,4,6-trifluoro-N-[6-(1-methyl-piperidine-4-carbonyl)-pyridin-2-yl]-benzamide; 2,4,6-trifluoro-N-[6-(1-methylpiperidin-4-ylcarbonyl)-pyridin-2-yl]-benzamide; Benzamide, 2,4,6-trifluoro-N-(6-((1-methyl-4-piperidinyl)carbonyl)-2-pyridinyl)-; 05X"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11732	.	.	377.4	C19H18F3N3O2	62.3	530	2.8	27	1	7	4	"1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)"	CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F	XEDHVZKDSYZQBF-UHFFFAOYSA-N
DG01226	Verteporfin	11980904	"Visudyne (TN); SCHEMBL6218; Verteporfin (JAN/USP/INN); SCHEMBL1230373; Verteporfin, >=94% (HPLC); HY-B0146; AKOS015896072; AKOS037515819; CS-1950; D01162; Verteporfin, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00460	.	.	1437.6	C82H84N8O16	347	2990	.	106	6	20	24	"1S/2C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)24(11-14-36(46)47)32(44-30)18-33-25(12-15-37(48)51-6)21(3)28(43-33)16-31(23)42-29;1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h2*9-10,13,16-19,38,42,44H,1,11-12,14-15H2,2-8H3,(H,46,47)/t2*38-,41+/m00/s1"	CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C.CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)O)C(=C3C)CCC(=O)OC)C=C	NJLRKAMQPVVOIU-IDLGWYNRSA-N
DG01239	Fedratinib	16722836	"Fedratinib; 936091-26-8; Tg-101348; TG101348; SAR302503; N-(tert-butyl)-3-((5-methyl-2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide; TG 101348; SAR-302503; Fedratinib (SAR302503, TG101348); SAR 302503; UNII-6L1XP550I6; TG101348 (SAR302503); N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide; CHEMBL1287853; C27H36N6O3S; 6L1XP550I6; 936091-26-8 (free base); N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)pyrimidin-4-ylamino)benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide; Inrebic; Fedratinib [USAN:INN]; 2TA; Fedratinib (USAN/INN); Fedratinib TG101348; TG101348(Fedratinib); Fedratinib (TG101348); MLS006011155; SCHEMBL263741; GTPL5716; CHEBI:91408; AOB2041; DTXSID90239483; EX-A170; SYN1104; HMS3295I03; HMS3656L19; HMS3744G17; HMS3868L03; BCP02300; BDBM50332294; MFCD12922515; NSC767600; NSC800099; s2736; ZINC19862646; AKOS015842621; CCG-264990; CS-0052; DB12500; EX-5961; NSC-767600; NSC-800099; SB14604; NCGC00244252-01; NCGC00244252-07; AC-30260; AS-16248; Benzenesulfonamide, N-(1,1-dimethylethyl)-3-((5-methyl-2-((4-(2-(1-pyrrolidinyl)ethoxy)phenyl)amino)-4-pyrimidinyl)amino)-; DA-40258; HY-10409; N-Tert-butyl-3-(5-methyl-2-(4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino)-pyrimidin-4-ylamino)-benzenesulfonamide; N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide; SMR004702929; DB-079623; FT-0705969; FT-0763396; FT-0766818; SW218187-2; Y0268; A25534; D10630; F17372; SAR302503 (TG-101348); 091D268; J-523769; Q7670147; BRD-K12502280-001-01-5; 945381-69-1; Fedratinib; ; ; N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]-benzenesulfonamide; N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91408	DB12500	.	.	524.7	C27H36N6O3S	117	787	4.8	37	3	9	11	"1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)"	CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4	JOOXLOJCABQBSG-UHFFFAOYSA-N
DG01243	Lobaplatin	24202037	"131374-93-1; [2-(aminomethyl)cyclobutyl]methanamine;2-oxidopropanoate;platinum(4+); Lobaplatine; Lobaplatino; Lobaplatinum; Lobaplatin [INN]; Lobaplatine [INN-French]; Lobaplatinum [INN-Latin]; Lobaplatino [INN-Spanish]; NSC619413; NSC 741422; NSC-619413; 2-(Aminomethyl)cyclobutyl]methanamine 2-hydroxypropanoic acid platinum salt; cis-((trans-1,2-Cyclobutandimethylamine)-(s)-2-oxidopropanoato-platinum(II)); cis-(trans-1,2-Cyclobutanebis(methylamine))((S)-lactato-O(sup 1),O(sup 1))platinum; Platinum, (1,2-cyclobutanedimethanamine-N,N')(2-hydroxypropanoato(2-)-O1,O2)-, (SP-4-3-(S),(trans))-; Platinum, (rel-(1R,2R)-1,2-cyclobutanedimethanamine-kappaN,kappaN')((2S)-2-(hydroxy-kappa-O)propanoato(2-)-kappaO)-, (SP-4-3)-; Platinum,2-cyclobutanedimethanamine-N,N') [2-hydroxypropanoato(2-)-O(1),O(2)]-, (SP-4-3)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	397.33	C9H18N2O3Pt+2	115	171	.	15	2	5	0	"1S/C6H14N2.C3H5O3.Pt/c7-3-5-1-2-6(5)4-8;1-2(4)3(5)6;/h5-6H,1-4,7-8H2;2H,1H3,(H,5,6);/q;-1;+4/p-1"	CC(C(=O)[O-])[O-].C1CC(C1CN)CN.[Pt+4]	XSMVECZRZBFTIZ-UHFFFAOYSA-M
DG01245	Canagliflozin	24812758	"Canagliflozin; 842133-18-0; Invokana; Canagliflozin anhydrous; TA-7284; JNJ-28431754; JNJ 24831754ZAE; canagliflozin hemihydrate; UNII-6S49DGR869; Canagliflozin hydrate; (2S,3R,4R,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL; TA 7284; 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene; CHEBI:73274; 6S49DGR869; (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol; (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol; D-Glucitol,1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-; JNJ 28431754; (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol; (1s)-1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucitol; JNJ 24831754AAA; (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol; Canagliflozin [INN]; JNJ 24831754; MLS006011126; SCHEMBL157162; C24H25FO5S; GTPL4582; CHEMBL2048484; HSDB 8284; AMY3291; BCPP000303; DTXSID601004469; JNJ 28431754AAA; BDBM50386885; MFCD18251436; s2760; ZINC43207238; AKOS025401827; BCP9000477; CCG-229581; CS-0522; DB08907; KS-1443; NCGC00346691-02; (1S)-1,5-Anhydro-1-c-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol; AC-26303; HY-10451; SMR004702906; SW219119-1; Y0287; A25050; J-500391; Q5030940; (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methyl-phenyl)-D-glucitol; 1,5-Anhydro-1-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)hexitol; D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1S)-; D-glucitol, 1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1s)-; JNJ24831754ZAE; TA 7284;(2S,3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:73274	DB08907	DR00279	DR0262	444.5	C24H25FO5S	118	574	3.2	31	4	7	5	"1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1"	CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F	XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
DG01248	Entrectinib	25141092	"Entrectinib; 1108743-60-7; NMS-E628; RXDX-101; Rozlytrek; UNII-L5ORF0AN1I; Entrectinib (RXDX-101); Entrectinib(rxdx-101); L5ORF0AN1I; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide; N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide; N-{5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide; Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-; Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-; Entrectinib [USAN:INN]; Rozlytrek (TN); YMX; Entrectinib, 95%; Kinome_2659; Entrectinib; NMS-E628; Entrectinib (JAN/USAN/INN); GTPL8290; SCHEMBL3512601; CHEMBL1983268; NMS-E-628; NMS-E628;RXDX-101; HMS3886H21; BCP16174; EX-A2261; MFCD28129099; NSC774769; NSC800095; s7998; ZINC43204146; CCG-270048; DB11986; NSC-774769; NSC-800095; SB17194; NCGC00484067-01; NCGC00484067-02; NCGC00484067-03; AC-31286; AS-75092; DA-47850; HY-12678; N-(5-(3,5-Difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; B5859; FT-0736318; D10926; A856078; Q25323953; S900006830; RXDX101; RXDX 101; RXDX-101; NMS E628; NMS-E628;NMS E628; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide; N-[5-(3,5-Difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide; N-{5-[(3,5-difluorophenyl)methyl]-3H-indazol-3-ylidene}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11986	.	DR0582	560.6	C31H34F2N6O2	85.5	847	5.7	41	3	8	7	"1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)"	CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6	HAYYBYPASCDWEQ-UHFFFAOYSA-N
DG01249	Capmatinib	25145656	"Capmatinib; 1029712-80-8; INCB28060; INC-280; INC280; 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide; INCB-28060; NVP-INC280; UNII-TY34L4F9OZ; NVP-INC280-NX; Capmatinib (INCB28060); INC28060; 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide; TY34L4F9OZ; INCB 28060; BenzaMide, 2-fluoro-N-Methyl-4-[7-(6-quinolinylMethyl)iMidazo[1,2-b][1,2,4]triazin-2-yl]-; 2-Fluoro-N-methyl-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b]-[1,2,4]triazin-2-yl]benzamide; C23H17FN6O; Tabrecta; Benzamide, 2-fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-;Benzamide, 2-fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-; benzamide hcl; INCB-28060 FREE BASE; Capmatinib [USAN]; Capmatinib (USAN/INN); Capmatinib [USAN:INN]; Capmatinib(INCB28060); INCB28060(Capmatinib); NYP-INC280-NX; MLS006010965; GTPL7904; SCHEMBL1426819; CHEMBL3188267; DTXSID90145595; EX-A446; AMY18553; AOB87335; BCP23444; BDBM50146167; MFCD18633285; NSC777878; NSC800067; s2788; ZINC43195321; AKOS025396439; BCP9000785; CCG-268791; CS-1541; DB11791; NSC-777878; NSC-800067; QC-7530; SB16608; NCGC00346702-01; NCGC00346702-02; NCGC00346702-05; AC-25890; AS-74142; DA-33530; HY-13404; SMR004702769; FT-0746310; Y0337; D10696; J-509516; Q27075685; 2-Fluoro-N-methyl-4-[7-(6-quinolinylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide; 2-fluoro-n-methyl-4-[7-(quinolin-6-ylmethyl)imidazolo[1,2-b][1,2,4]triazin-2-yl]benzamide; 2-fluoro-N-methyl-4-{7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl}benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11791	.	.	412.4	C23H17FN6O	85.1	637	2.9	31	1	6	4	"1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)"	CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F	LIOLIMKSCNQPLV-UHFFFAOYSA-N
DG01254	Nedaplatin	6917890	Nedaplatin; 95734-82-0; Aqupla; NSC 375101D; azane;2-hydroxyacetic acid;platinum; 254-S; NSC-375101D; C2H2O3Pt.2H3N; HMS2089P16; AKOS025311233; M754; 734N820	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB13145	.	.	305.2	C2H10N2O3Pt	59.5	44.1	.	8	4	5	0	"1S/C2H4O3.2H3N.Pt/c3-1-2(4)5;;;/h3H,1H2,(H,4,5);2*1H3;"	C(C(=O)O)O.N.N.[Pt]	ZAXCMPAWRCMABN-UHFFFAOYSA-N
DG01255	Vibegron	44472635	"VIBEGRON; 1190389-15-1; KRP-114V; UNII-M5TSE03W5U; MK-4618; M5TSE03W5U; (S)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide; MK4618; C26H28N4O3; Pyrrolo(1,2-a)pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-(4-(((2S,5R)-5-((R)-hydroxyphenylmethyl)-2-pyrrolidinyl)methyl)phenyl)-4-oxo-, (6S)-; Pyrrolo[1,2-a]pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-, (6S)-; Vibegron [USAN:INN]; vibegronum; Gemtesa; Beova; Beova (TN); MK 4618; Vibegron (JAN/USAN); CHEMBL2107826; SCHEMBL11985457; GTPL10100; DTXSID40152299; CHEBI:142418; EX-A3390; BDBM50146154; MFCD28502057; AT23148; compound 7 [PMID: 26709102]; DB14895; (6S)-N-(4-(((2S,5R)-5-((R)-Hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide; HY-19933; CS-0016926; D10433; A903957; Q27283524; (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide; (6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:142418	.	DR00357	.	444.5	C26H28N4O3	94	782	1.8	33	3	5	6	"1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1"	C1C[C@@H](N[C@@H]1CC2=CC=C(C=C2)NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)[C@@H](C5=CC=CC=C5)O	DJXRIQMCROIRCZ-XOEOCAAJSA-N
DG01260	YN-968D1	45139106	"Apatinib; Apatinib Mesylate; 1218779-75-9; Rivoceranib mesylate; YN968D1; YN-968D1; UNII-TK02X14ASJ; YN 968D1; TK02X14ASJ; N-(4-(1-Cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide Mesylate; 3-Pyridinecarboxamide, N-(4-(1-cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-, methanesulfonate (1:1); N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic acid; Apatinib mesylate; 3-Pyridinecarboxamide, N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-, methanesulfonate (1:1); Alitan (TN); Apatinib-YN968D1; Apatinib - YN968D1; Rivoceranib mesylate (USAN); MLS006011286; CHEMBL3545414; SCHEMBL21847695; DTXSID80153427; HMS3655H12; AOB87128; BCP15234; Apatinib (registered name in China); BDBM50152828; s2221; AKOS026750547; BCP9000308; CCG-269641; CS-0694; SB16589; N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide methanesulfonate; HY-13342; SMR004703036; SW220296-1; D11289; N-(4-(1-cyanocyclopentyl)phenyl)-2-(pyridin-4-ylmethylamino)nicotinamide mesylate; N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-pyridylmethyl)amino-3-pyridine carboxyamide mesylate; N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide mesylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	DR00819	.	493.6	C25H27N5O4S	153	701	.	35	3	8	6	"1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4)"	CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4	FYJROXRIVQPKRY-UHFFFAOYSA-N
DG01263	Larotrectinib	46188928	"Larotrectinib; LOXO-101; 1223403-58-4; ARRY-470; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; LOXO 101; UNII-PF9462I9HX; LOXO101; PF9462I9HX; (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide; BAY2757556; BAY-2757556; Vitrakvi; ARRY 470; 1-Pyrrolidinecarboxamide, N-(5-((2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-3-hydroxy-, (3S)-; 1-Pyrrolidinecarboxamide, N-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-, (3S)-; ARRY-470; larotrectinib; Larotrectinib (USAN/INN); Larotrectinib [USAN:INN]; ARRY470; AMY264; GTPL8909; SCHEMBL2241012; CHEMBL3889654; BDBM136597; BCP16262; EX-A1981; MFCD28902192; NSC785570; NSC801004; s5860; Larotrectinib (LOXO-101 free base); example 14 [US8865698 B2]; ZINC118399834; CS-5722; DB14723; NSC-785570; NSC-801004; AC-33660; AS-35231; HY-12866; J3.628.138C; D11137; US8865698, 14; Q27081513; ARRY-470;ARRY 470 : LOXO-101; LOXO101; Larotrectinib; ARRY470;ARRY-470;ARRY 470;LOXO 101;LOXO101;Larotrectinib; (3S)-N-(5-((2R)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo(1,5-a)pyrimidin-3-yl)-3-hydroxypyrrolidine- 1-carboxamide; (S)-N-(5 -((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin -1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide; (S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3 yl)-3-hydroxypyrrolidine-1-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	428.4	C21H22F2N6O2	86	659	1.7	31	2	7	3	"1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1"	C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F	NYNZQNWKBKUAII-KBXCAEBGSA-N
DG01264	LY2835219	46220502	"Abemaciclib; 1231929-97-7; LY2835219; LY2835219 free base; Verzenio; LY-2835219; UNII-60UAB198HK; N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine; Abemaciclib (ly2835219); 60UAB198HK; N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine; LY 2835219; HY-16297A; CS-1230; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyrimidin-2-amine; N-{5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine; LY2835219 (free base); Abemaciclib [USAN:INN]; Abemaciclib,LY2835219; Verzenios; rimidin-2-amine; Verzenio (TN); 6ZV; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine; CDK4/6 dual inhibitor; LY2835210; Abemaciclib (JAN/USAN); GTPL7382; SCHEMBL2487229; CHEMBL3301610; DTXSID20673119; EX-A521; LY 2835219 (free base); C27H32F2N8; HMS3673I05; BCP13079; EX-A1588; 3798AH; BDBM50110183; MFCD22665744; NSC768073; NSC783671; s5716; ZINC72318121; 1231929-97-7, Verzenio,; AKOS025404907; LY2835219 free base (Abemaciclib); CCG-269750; DB12001; NSC-768073; NSC-783671; SB16476; NCGC00351599-02; NCGC00351599-06; 2-Pyrimidinamine, N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl); 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl)amine; 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)pyrimidin-2-yl)amine; AC-30666; AS-10230; DA-33422; QC-11713; LY2835219 Ms salt, Abemaciclib Ms salt; FT-0700134; LY 2835210; A12989; D10688; J-690083; Q23901483; [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine; 2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-; 2-Pyrimidinamine,N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-; LY-2835219; ; ; N-[5-[(4-Ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine; N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	DR00097	DR0028	506.6	C27H32F2N8	75	723	3.8	37	1	9	7	"1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)"	CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F	UZWDCWONPYILKI-UHFFFAOYSA-N
DG01265	Palbociclib	5330286	"Palbociclib; 571190-30-2; PD-0332991; Ibrance; PD0332991; PD 0332991; UNII-G9ZF61LE7G; Palbociclib free base; 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one; PD-332991; 571190-30-2 (free base); MFCD11840850; 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one; G9ZF61LE7G; Palbociclib(PD0332991); PD 332991; 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one; CHEBI:85993; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one; LQQ; C24H29N7O2; 2euf; 571190-30-2 pound not827022-32-2; Palbociclib [USAN:INN]; [d8]-Palbociclib; Ibrance (TN); Palbociclib- Bio-X; Kinome_3823; Kinome_3824; 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride; Palbociclib (JAN/USAN); SCHEMBL462630; BDBM6309; CHEMBL189963; GTPL7380; PD 0332991 (Palbociclib); DTXSID40972590; EX-A408; QCR-200; 2euf; PD 0332991; OTAVA-BB 1115529; BCPP000125; HMS3265M09; HMS3265M10; HMS3265N09; HMS3265N10; HMS3744G13; AMY14886; AOB87334; BCP09274; BCP18381; ZINC3938686; NSC758247; NSC772256; NSC800815; s4482; AKOS022205241; BCP9001058; CA10003; DB09073; NSC-758247; NSC-772256; NSC-800815; SB40426; Pyrido-[2,3-d]-pyrimidin-7-one 43; NCGC00263129-01; NCGC00263129-08; NCGC00263129-21; NCGC00263129-22; AC-25485; AS-17016; BP166224; HY-50767; SY026143; FT-0697059; X7379; A14427; D10372; 190P302; PD 0332991,PD0332991; PD-0332991, PD0332991; BRD-K51313569-001-01-1; P-0332991; Q15269707; 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one; 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one; 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one; 8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85993	DB09073	DR01288	DR1229	447.5	C24H29N7O2	103	775	1.8	33	2	8	5	"1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)"	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C	AHJRHEGDXFFMBM-UHFFFAOYSA-N
DG01266	Ribociclib	44631912	"Ribociclib; 1211441-98-3; LEE011; Ribociclib (LEE011); LEE-011; Kisqali; LEE 011; UNII-TK8ERE8P56; 7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; TK8ERE8P56; LEE011A; 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo [2,3-d]pyrimidine-6-carboxylic acid dimethylamide; 7-Cyclopentyl-N,N-dimethyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; 7-Cyclopentyl-N,N-dimethyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; Ribociclib(LEE011); Ribociclib, LEE011; Ribociclib [USAN:INN]; Ribociclib-[d6]; Ribociclib (USAN/INN); NVP-LEE011; SCHEMBL302310; GTPL7383; LEE-011A; CHEMBL3545110; EX-A304; SYN1213; BDBM148264; HMS3653N03; HMS3673I19; HMS3748M05; example 74 [US8962630]; AMY16792; AOB87725; BCP08804; 2513AH; MFCD27976795; NSC778909; NSC794613; NSC800867; s7440; ZINC72316335; AKOS025404915; AKOS032949987; CCG-269070; CS-1750; DB11730; NSC-778909; NSC-794613; NSC-800867; SB18480; NCGC00386317-10; NCGC00386317-11; AC-30029; AS-10159; DA-35904; HY-15777; LEE-011; LEE 011;LEE011; FT-0700117; SW220101-1; D10883; US8962630, 74; A858033; J-690066; Q27088552; 6-(1H-Indazol-6-yl)-N-[4-(4-morpholinyl)phenyl]-Imidazo[1,2-a]pyrazin-8-amine; 6ZZ; 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11730	.	.	434.5	C23H30N8O	91.2	636	2.2	32	2	7	5	"1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)"	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5	RHXHGRAEPCAFML-UHFFFAOYSA-N
DG01267	Gilteritinib	49803313	"Gilteritinib; 1254053-43-4; ASP2215; ASP-2215; Xospata; UNII-66D92MGC8M; ASP 2215; 6-Ethyl-3-((3-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-amino)-5-((tetrahydro-2H-pyran-4-yl)amino)pyrazine-2-carboxamide; 66D92MGC8M; Gilteritinib HCl; 6-Ethyl-3-((3-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)pyrazine-2-carboxamide; 2-Pyrazinecarboxamide, 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-; 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide; 6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide; Gilteritinib [USAN:INN]; gilteritinibum; 2-Pyrazinecarboxamide, 6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-; C6F; Gilteritinib(ASP2215); Gilteritinib (USAN/INN); Gilteritinib (ASP2215); Gilteritinib (ASP-2215); SCHEMBL282229; GTPL8708; CHEMBL3301622; CHEBI:145372; BDBM144315; C29H44N8O3; BCP28756; EX-A2775; 3694AH; MFCD28144685; NSC787846; NSC787854; NSC788454; NSC800106; s7754; ZINC113476229; CCG-270016; CS-3885; DB12141; NSC-787846; NSC-787854; NSC-788454; NSC-800106; SB16988; NCGC00481652-01; NCGC00481652-02; AC-29030; AS-35199; BG166434; HY-12432; QC-11768; DB-108103; A14411; D10709; A901674; US8969336, 547; US8969336, 577; Q27077802; 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-2-pyrazinecarboxamide; 6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide; 6-Ethyl-3-[3-methoxy-4-[4-(4-methylpiperazine-1-yl)piperidino]anilino]-5-[(tetrahydro-2H-pyran-4-yl)amino]pyrazine-2-carboxamide; 6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide; 6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145372	DB12141	DR00358	DR0772	552.7	C29H44N8O3	121	785	3.5	40	3	10	9	"1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)"	CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5	GYQYAJJFPNQOOW-UHFFFAOYSA-N
DG01268	Venetoclax	49846579	"Venetoclax; 1257044-40-8; ABT-199; Venclexta; GDC-0199; ABT199; ABT 199; Venetoclax (ABT199); UNII-N54AIC43PW; GDC 0199; RG7601; Venetoclax; Abt-199; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; Venetoclax (ABT-199); RG-7601; N54AIC43PW; ABT-199 (GDC-0199); 2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide; venclyxto; BDBM189459; 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide; 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide; 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide; benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-; Venetoclax [USAN:INN]; Venclexta (TN); Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-; Venetoclax(ABT-199); C45H50ClN7O7S; MLS006010298; SCHEMBL523816; Venetoclax (JAN/USAN/INN); AMY343; GTPL8318; CHEMBL3137309; SCHEMBL19236295; BDBM60828; AOB5080; DTXSID30154863; EX-A168; CHEBI:133021; HMS3653J06; HMS3745E07; BCP06811; BDBM50162774; MFCD23160052; NSC766270; AKOS025289539; ZINC150338755; CCG-270543; CS-1155; DB11581; KS-1470; NSC-766270; SB16499; NCGC00345789-01; NCGC00345789-05; NCGC00345789-10; NCGC00345789-11; AC-28754; DA-35360; HY-15531; QC-11704; SMR004701366; FT-0699586; S8048; SW219672-1; X3609; J3.516.625D; D10679; US9174982, 5; A850921; US9174982, 369; J-005269; Q23671272; 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide; 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl; ABT-199; ; ; GDC 0199; ; ; 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133021	DB11581	DR00008	.	868.4	C45H50ClN7O7S	183	1640	8.2	61	3	11	12	"1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)"	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C	LQBVNQSMGBZMKD-UHFFFAOYSA-N
DG01270	Copanlisib	135565596	"Copanlisib; 1032568-63-0; BAY 80-6946; Aliqopa; BAY-80-6946; BAY80-6946; UNII-WI6V529FZ9; BAY 80-6946 (Copanlisib); 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide; WI6V529FZ9; Copanlisib (BAY 80-6946); 2-Amino-N-[2,3-dihydro-7-methoxy-8-[3-(4-morpholinyl)propoxy]imidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarboxamide; 2-amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyrimidine-5-carboxamide; 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide; copanlisibum; Copanlisib tris-HCl; Copanlisib (USAN/INN); Copanlisib [USAN:INN]; GTPL7875; SCHEMBL1655478; BAY 80-6946; Copanlisib; BAY-80-6946 tris-HCl; Copanlisib; BAY-80-6946; CHEMBL3218576; SCHEMBL13084037; DTXSID00145728; CHEBI:173077; C23H28N8O4; BCP04754; EX-A2005; 2253AH; BDBM50204093; MFCD18633201; NSC760443; NSC800076; NSC809693; NSC816437; s2802; ZINC68247389; AKOS025290222; BAY-806946; CS-0741; DB12483; NSC-760443; NSC-800076; NSC-809693; NSC-816437; PB22956; VS-0128; NCGC00346457-01; NCGC00346457-02; NCGC00346457-04; 2-amino-N-(7-methoxy-8-(3-morpholinopropoxy)-2,3-dihydroimidazo(1,2-c)quinazolin-4-yl)pyrimidine-5-carboxamide; AC-28438; BC164810; HY-15346; QC-10511; D10867; Q19903876; 2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1.2-c]quinazolin-5-yl]pyrimidine-5-carboxamide; 2-amino-N-{7-methoxy-8-[3-(morpholin-4-yl)propoxy]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide; BAY-80-6946; ; ; 2-Amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12483	.	DR0378	480.5	C23H28N8O4	140	974	0.3	35	2	9	7	"1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)"	COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5	MWYDSXOGIBMAET-UHFFFAOYSA-N
DG01271	IPI-145	50905713	"Duvelisib; 1201438-56-3; IPI-145; INK-1197; (S)-3-(1-((9H-Purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; UNII-610V23S0JI; IPI 145; Copiktra; IPI-145 (INK1197); (S)-3-(1-(9H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; 610V23S0JI; INK-1147; 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one; Duvelisib (IPI-145, INK1197); Copiktra (TN); Duvelisib monohydrate; IPI145; Duvelisib [USAN:INN]; Duvelisib hydrate; 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-; 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-; INK1197; Duvelisib (USAN/INN); Duvelisib (IPI-145); SCHEMBL153543; GTPL7795; CHEMBL3039502; SCHEMBL18343557; SCHEMBL19670020; SCHEMBL20580104; DTXSID80152697; SYN1175; CHEBI:131169; AMY24208; AOB87713; BCP07042; EX-A1562; BDBM50193013; MFCD15144635; NSC772469; s7028; ZINC88346058; AKOS022186370; AKOS037515795; IPI-145, INK 1197, Duvelisib; CCG-268854; CS-0888; DB11952; NSC-772469; 8-chloro-2-phenyl-3-((1S)-1-(9H-purin-6-ylamino)ethyl)-1(2H)-isoquinolinone; NCGC00351482-01; AC-30239; AS-16309; compound 4904 [Patent US8193182]; HY-17044; QC-10232; SW219822-1; X5816; D10555; Q27077129; IPI-145 pound>>INK1197; IPI 145; IPI145; INK-1197; INK 1197; (S)-3-(1-(7H-purin-6-ylamino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one; 8-Chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one; INK-1197; ; ; IPI-145; ; ; 8-Chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131169	.	DR00276	.	416.9	C22H17ClN6O	86.8	668	4.1	30	2	5	4	"1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1"	C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5	SJVQHLPISAIATJ-ZDUSSCGKSA-N
DG01274	Rimegepant	51049968	"Rimegepant; 1289023-67-1; BMS-927711; BMS 927711; UNII-997WVV895X; BHV-3000; BMS927711; CHEMBL2178422; C28H28F2N6O3; 997WVV895X; Nurtec ODT; [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate; (5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate; Rimegepant [USAN:INN]; Vydura; Rimegepant (USAN/INN); BMS-927711(Rimegepant); SCHEMBL1670580; Rimegepant (BMS-927711); GTPL10704; BHV3000; DTXSID70156003; EX-A1922; 3504AH; BDBM50400098; s6659; ZINC68267814; AT13249; compound 8 [PMID: 23153230]; CS-1027; DB12457; NCGC00378677-01; BR174969; HY-15498; A13102; D10662; Q27272184; [(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12457	DR00758	.	534.6	C28H28F2N6O3	114	891	2.3	39	2	8	4	"1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1"	C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6	KRNAOFGYEFKHPB-ANJVHQHFSA-N
DG01286	MK-1439	58460047	"Doravirine; 1338225-97-0; MK-1439; Pifeltro; 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile; MK1439; UNII-913P6LK81M; 3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile; Doravirine (MK-1439); 913P6LK81M; 3-Chloro-5-({1-[(4-Methyl-5-Oxo-4,5-Dihydro-1h-1,2,4-Triazol-3-Yl)methyl]-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl}oxy)benzonitrile; Doravirine [USAN:INN]; 4ncg; Pifeltro (TN); MK 1439; Doravirine, MK-1439; Doravirine; MK-1439; MK-1439(Doravirine); C17H11ClF3N5O3; Doravirine (JAN/USAN/INN); Mk-1439a; SCHEMBL2509885; CHEMBL2364608; DTXSID30158386; AMY16781; BCP02296; EX-A1968; BDBM50508293; MFCD22417167; s6492; ZINC72317283; AKOS030528603; CS-5924; DB12301; SB17104; NCGC00508866-01; AC-33637; HY-16767; DB-091410; D10624; F53303; A856128; Q6885419; S900006160; 2KW; 3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridyl]oxy]benzonitrile; Benzonitrile, 3-chloro-5-((1-((4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0533	425.7	C17H11ClF3N5O3	98	860	2.1	29	1	8	4	"1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)"	CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F	ZIAOVIPSKUPPQW-UHFFFAOYSA-N
DG01291	Trilaciclib	68029831	"Trilaciclib; 1374743-00-6; G1T28; UNII-U6072DO9XG; U6072DO9XG; 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one; Cosela; 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'H-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one; Trilaciclib [USAN]; G1T28(Trilaciclib); G1T28 di-HCl; Trilaciclib (USAN/INN); GTPL9626; CHEMBL3894860; SCHEMBL10082028; BDBM253928; BCP25013; EX-A4297; NSC816987; DB15442; NSC-816987; SB19783; US9464092, T; HY-101467; CS-0021431; A17084; D11130; 2'-((5-(4-Methyl-1-piperazinyl)-2-pyridinyl)amino)-7',8'-dihydro-6'H-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one; 2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[7,8-dihydropyrazino[5,6]pyrrolo[1,2-d]pyrimidine-9,1'-cyclohexane]-6-one; 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one; Spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	446.5	C24H30N8O	91.2	707	2.6	33	2	7	3	"1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)"	CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6	PDGKHKMBHVFCMG-UHFFFAOYSA-N
DG01299	Deutetrabenazine	73437646	"Deutetrabenazine; Tetrabenazine-d6; Tetrabenazine D6; 1392826-25-3; Austedo; Ro 1-9569 D6; SD809; (3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one; SD-809; rel-(3R,11bR)-3-isobutyl-9,10-bis(methoxy-d3)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; Austedo (TN); Deutetrabenazine (USAN/INN); GTPL8707; SCHEMBL16227993; HY-B0590S; EX-A4770; D10701; Q27077026; UNII-P341G6W9NB component MKJIEFSOBYUXJB-VFJJUKLQSA-N; [2H6]-(+)-Tetrabenazine; ; ; [2H6]-(+)- 9,10-Dimethoxy-1,3R,4,6,7,11bR-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12161	.	.	323.5	C19H27NO3	38.8	425	2.9	23	0	4	4	"1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3"	[2H]C([2H])([2H])OC1=C(C=C2[C@H]3CC(=O)[C@@H](CN3CCC2=C1)CC(C)C)OC([2H])([2H])[2H]	MKJIEFSOBYUXJB-VFJJUKLQSA-N
DG01300	Tetrabenazine	6018	"TETRABENAZINE; 58-46-8; Nitoman; Tetrabenzaine; 718635-93-9; Rubigen; Tetrabenzine; tetra Benazin; Xenazine; Tetrabenazine (Racemate); Ro 1-9569; 3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one; Tetrabenazine Racemate; Ro 1-9569 Racemate; Tetrabenazinum; Tetrabenazinum [INN-Latin]; Tetrabenazina [INN-Spanish]; 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one; 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one; MLS003106727; Ro 1-9569/12; CHEMBL117785; CHEBI:64028; (-)-tetrabenazine; Ro-19569; 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; NSC-169886; NCGC00160421-01; NSC 169886; 1,2,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one; DSSTox_CID_22614; DSSTox_RID_80059; DSSTox_GSID_42614; 1,3,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one; 2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine; CAS-58-46-8; Xenazine (TN); SMR000718664; Nitoman (TN); WLN: T B666 DV GNTT&J E1Y1&1 LO1 MO1; Tetrabenazin; Revocon; 2-Oxo-3-isobutyl-9,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine; 2-Oxo-3-isobutyl-9,3,4,6,7,11.beta.-hexahydro-2H-benzoquinolizine; 1,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-; 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-; 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-; Tetrabenazine- Bio-X; Nitoman;Ro 1-9569; Tetrabenazine (JAN/INN); TimTec1_002217; Oprea1_264344; SCHEMBL62026; MLS001249426; MLS001249497; GTPL4834; HY-B0590A; Tetrabenazine Related Impurity 2; HMS1540E17; HMS2966E06; HMS3263I14; HMS3430F03; HMS3884E10; Tetrabenazine (Nitoman, Xenazine); ACT06890; BCP15831; BCP24156; EX-A2361; Tox21_111803; Tox21_501086; BDBM50017701; MFCD00042740; MFCD08461052; MFCD11519951; NSC169886; NSC172187; s1789; STK678061; AKOS001681311; AKOS016347602; Tox21_111803_1; CCG-118217; CS-5700; DB04844; LP01086; MCULE-5822627411; NSC-172187; PB21652; PB25061; PB38735; SB49797; SDCCGSBI-0633786.P001; 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-; 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one; NCGC00160421-02; NCGC00160421-03; NCGC00160421-06; NCGC00261771-01; AS-35785; BT164463; SY055407; RO-1-9569; FT-0674921; FT-0700948; FT-0771873; FT-0772314; Z3433; 2105-47-7; D08575; A856325; A917912; Q413050; SR-01000833864; SR-01000833864-4; BRD-A47564106-001-01-8; Z1563146114; 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizine; 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7, 11b-hexahydro-3-isobutyl-9,10-dimethoxy-,; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one #; 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one; 3-isobutyl-9-,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-one; Tetrabenazine (3r,11br)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2h-benzo[a]quinolizin-2-one; Tetrabenazine, racemic mixture; ; ; 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64028	DB12161	DR01035	DR1567	317.4	C19H27NO3	38.8	425	2.9	23	0	4	4	"1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3"	CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC	MKJIEFSOBYUXJB-UHFFFAOYSA-N
DG01301	Valbenazine	24795069	"Valbenazine; 1025504-45-3; Ingrezza; UNII-54K37P50KH; NBI 98854; 54K37P50KH; L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester; Valbenazine [USAN:INN]; L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester; ValbenazineNBI-98854; Valbenazine (USAN/INN); GTPL8694; CHEMBL2364639; SCHEMBL15932979; Mt-5199; EX-A2002; MFCD28963976; ZINC43195697; CS-5908; DB11915; NCGC00522306-02; (2R,3R,11bR)-9,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H- benzo(a)quinolizin-2-yl L-valinate; [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate; AC-30929; AS-35294; HY-16771; Valine 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester; D10675; NBI-98854;NBI98854;NBI 98854; Q27089118; (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate; (S)-2-amino-3-methyl-butyric acid (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl ester; [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12161	DR01064	DR1665	418.6	C24H38N2O4	74	569	4.3	30	1	6	8	"1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1"	CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC	GEJDGVNQKABXKG-CFKGEZKQSA-N
DG01304	Pemigatinib	86705695	"Pemigatinib; 1513857-77-6; INCB054828; Pemazyre; UNII-Y6BX7BL23K; Y6BX7BL23K; Fgfr inhibitor INCB054828; INCB54828; INCB-54828; INCB-054828; 1513857-77-6 (free base); 3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-1,3,4,6-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-[(morpholin-4-yl)methyl]-1,3,4,7-tetrahydro-2Hpyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; Pemazyre (TN); Pemigatinib [INN]; Pemigatinib [USAN]; Pemigatinib [USAN:INN]; Pemigatinib (JAN/USAN/INN); GTPL9767; Pemigatinib (INCB054828); CHEMBL4297522; SCHEMBL15556271; BDBM301310; INCB 54828; EX-A4049; NSC816556; US10131667, Example 126; AT15587; DB15102; INCB054828INCB054828; NSC-816556; AS-78489; example 126 [WO2014007951]; HY-109099; CS-0039499; D11417; A936247; 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one; 2H-Pyrrolo(3',2':5,6)pyrido(4,3-d)pyrimidin-2-one, 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-1,3,4,7-tetrahydro-8-(4-morpholinylmethyl)-; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3'',2'':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholinomethyl)-3,4-dihydro-1H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2(7H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	487.5	C24H27F2N5O4	83.2	731	1.8	35	1	8	6	"1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)"	CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5	HCDMJFOHIXMBOV-UHFFFAOYSA-N
DG01306	Avapritinib	118023034	"Avapritinib; BLU-285; 1703793-34-3; Ayvakit; BLU285; (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine; UNII-513P80B4YJ; 513P80B4YJ; Ayvakyt; MFCD31544325; Avapritinib [INN]; Ayvakit (TN); Avapritinib (USAN/INN); Avapritinib (BLU-285); BLU-285 (Avapritinib); CHEMBL4204794; SCHEMBL16652297; GTPL10368; BLU 285; BDBM469269; AMY16753; EX-A1366; US10807985, Compound 44; NSC801082; s8553; AKOS037648993; CCG-269677; CS-7577; DB15233; NSC-801082; AC-31598; BB166456; BS-16206; HY-101561; C-366; 70C366; D11279; X720776; X-720776; Q29213676; (1S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-yl)-1-piperazinyl)-5-pyrimidinyl)ethanamine; (S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-amine; (S)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethanamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	498.6	C26H27FN10	106	752	1.9	37	1	9	5	"1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1"	C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N	DWYRIWUZIJHQKQ-SANMLTNESA-N
DG01307	Pralsetinib	129073603	"Pralsetinib; BLU-667; 2097132-94-8; Pralsetinib free base; cis-Pralsetinib; Blu667; trans-Pralsetinib; UNII-1WPE73O1WV; 1WPE73O1WV; BLU123244; 2097132-94-8 (free base); 2097132-93-7; N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide; X581238; cis-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; Gavreto; Cyclohexanecarboxamide, N-((1S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)-2-pyrimidinyl)-, cis-; cyclohexanecarboxamide, N-[(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-; Q4J; Pralsetinib [INN]; Pralsetinib [USAN]; Blu667Blu667; cis-BLU-667; Pralsetinib (USAN/INN); BLU-667 (Pralsetinib); CHEMBL4582651; SCHEMBL18789228; SCHEMBL18789229; SCHEMBL18806610; GTPL10033; BDBM435009; BDBM435010; AMY16875; EX-A1944; EX-A3347; NSC811429; s8716; US10584114, Compound 129; US10584114, Compound 130; WHO 11004; AKOS037648884; BLU-123244; HY-112301A; NSC-811429; BS-15942; HY-112301; CS-0043448; CS-0044766; D11712; X-581238; (cis)-N-((S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-yl)cyclohexanecarboxamide; BLU-667; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide; trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	533.6	C27H32FN9O2	136	816	3.1	39	3	9	8	"1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19 ,27 /m0/s1"	CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC	GBLBJPZSROAGMF-SIYOEGHHSA-N
DG01308	Teicoplanin	133065662	Targocid; Antibiotic 8327A; Teichomycin; MDL 507; Tecoplanina; Tecoplanine; Tecoplaninum; Teicoplanina; Teicoplanine; Teicoplaninum; Teico-planin; 61036-62-2; Teicoplanine [French]; Teicoplaninum [Latin]; Teicoplanina [Spanish]; Tecoplanine [INN-French]; Tecoplaninum [INN-Latin]; Tecoplanina [INN-Spanish]; Teicoplanine [INN-French]; Teicoplaninum [INN-Latin]; Teicoplanina [INN-Spanish]; UNII-4U3D3YY81M; Teicoplanin [USAN:INN:BAN]; 4U3D3YY81M; GTPL10924; BDBM512667; NSC 759183; 8327A	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	1879.7	C88H97Cl2N9O33	662	3920	0.5	132	24	34	20	"1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88 /m1/s1"	CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)OC8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)CO)O)O	BJNLLBUOHPVGFT-CAYRISATSA-N
DG01309	Selpercatinib	134436906	"Selpercatinib; 2152628-33-4; LOXO-292; CEGM9YBNGD; UNII-CEGM9YBNGD; LOXO292; 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile; 6-(2-hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile; LY3527723; 6-(2-Hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile; Serpercatinib; Retevmo; 6-(2-Hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo(3.1.1)heptan-3-yl)pyridin-3-yl)pyrazolo(1,5-a)pyridine-3-carbonitrile; Retevmo (TN); Selpercatinib [INN]; Selpercatinib [USAN]; Ret inhibitor loxo-292; LOXO-292; Selpercatinib; Selpercatinib(LOXO-292); CHEMBL4559134; SCHEMBL20071478; Selpercatinib (JAN/USAN/INN); GTPL10318; BDBM296429; BCP29047; CLD62833; EX-A2859; NSC818434; s8781; WHO 10967; ZB1574; US10112942, Example 163; US10112942, Example 166; US10112942, Example 183; AKOS037649115; NSC-818434; AC-31588; BS-16622; LOXO-292;LOXO 292;LOXO292; Selpercatinib (LOXO-292, ARRY-192); example 163 [WO2018071447A1]; HY-114370; CS-0084279; LY-3527723; D11713; D77980; A929273; Pyrazolo(1,5-a)pyridine-3-carbonitrile, 6-(2-hydroxy-2-methylpropoxy)-4-(6-(6-((6-methoxy-3-pyridinyl)methyl)-3,6-diazabicyclo(3.1.1)hept-3-yl)-3-pyridinyl)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	525.6	C29H31N7O3	112	885	2.5	39	1	9	8	"1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3"	CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O	XIIOFHFUYBLOLW-UHFFFAOYSA-N
DG01311	Olanzapine	135398745	"Olanzapine; 132539-06-1; Zyprexa; Olansek; Zyprexa Zydis; Zalasta; Zyprexa Velotab; Zyprexa Intramuscular; Zolafren; Zypadhera; LY-170053; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine; Olzapin; Lanzac; Oferta; Olanzapine Mylan; LY 170053; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; C17H20N4S; UNII-N7U69T4SZR; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine; LY170053; 10H-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; CHEMBL715; N7U69T4SZR; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; CHEBI:7735; MFCD00866702; 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene; olanzapina; NCGC00096077-03; DSSTox_CID_3388; 2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine; DSSTox_RID_77010; DSSTox_GSID_23388; olanzapinum; Olanzapin; Midax; Olazax; Olanzapine Teva; Olazax Disperzi; 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine; Olanzapine Teva; 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; Olanzapine Glenmark; SMR000466345; Olanzapine Neopharma; CAS-132539-06-1; SR-01000759343; Olanzapine cipla; Olanzapine apotex; ALKS-7921; HSDB 8155; Olanzapine [USAN:USP:INN:BAN]; Olanzapine solution; Olanzapine- Bio-X; Olanzapine (Zyprexa); KS-1090; GTPL47; BIDD:PXR0138; SCHEMBL28763; Olanzapine (JAN/USP/INN); US8802672, Olanzapine; MLS000759457; MLS001165781; MLS001195646; MLS001424057; BIDD:GT0332; SCHEMBL117695; SPECTRUM1505024; Olanzapine (LY-170053); DTXSID9023388; Olanzapine, >=98% (HPLC); BDBM35254; BDBM82479; CHEBI:94534; AMY7709; HMS2051H05; HMS2089M04; HMS2093I04; HMS2233F24; HMS3374L02; HMS3393H05; HMS3657I15; HMS3714J03; HMS3743A09; HMS3884J21; ACT03231; ALBB-027265; BCP04917; NSC_4585; ZINC3873830; Tox21_111556; AC-665; NSC754829; NSC801187; s2493; STK634338; STL388024; ZINC52957434; 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine; AKOS000282888; AKOS005566122; Olanzapine 1.0 mg/ml in Acetonitrile; Tox21_111556_1; BCP9001021; CCG-100922; CS-1114; DB00334; MCULE-1620364835; NC00172; NSC-754829; NSC-801187; NCGC00096077-01; NCGC00096077-04; NCGC00096077-05; NCGC00096077-06; NCGC00096077-18; NCGC00389791-02; BO164166; HY-14541; I960; SBI-0206786.P001; CAS_132539-06-1; FT-0673219; O0393; SW220248-1; C07322; D00454; J10363; AB00639907-06; AB00639907-07; AB00639907_08; AB00639907_09; 539O061; A806453; L000455; L005958; Q201872; J-006186; SR-01000759343-4; SR-01000759343-6; Z1868057799; Olanzapine, European Pharmacopoeia (EP) Reference Standard; Olanzapine, United States Pharmacopeia (USP) Reference Standard; Olanzapine, Pharmaceutical Secondary Standard; Certified Reference Material; (E)-2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine; 2-Methyl-10-(4-methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene; 2-methyl-4-(4-methyl-1-piperazinyl) -10h-thieno[2,3-b][1,5]benzodiazepine; 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine #; 2-Methyl-4-(4-methylpiperazin-1-yl)-10H- thieno[2,3-b][1,5]benzodiazepin; Olanzapine for system suitability, European Pharmacopoeia (EP) Reference Standard; Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material; Olanzapine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7735	DB00334	DR00462	DR1186	312.4	C17H20N4S	59.1	432	2.9	22	1	4	1	"1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3"	CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C	KVWDHTXUZHCGIO-UHFFFAOYSA-N
DG01312	Allopurinol	135401907	"Allopurinol; 315-30-0; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol; Zyloprim; Zyloric; Lopurin; Atisuril; Bleminol; Caplenal; Suspendol; Uripurinol; Embarin; Foligan; Milurit; Progout; Urosin; Anoprolin; Cellidrin; Epidropal; Takanarumin; Ailural; Allopur; Allural; Alositol; Bloxanth; Cosuric; Hamarin; Ledopur; Lysuron; Uricemil; Uriprim; Xanturat; Aloral; Anzief; Apurin; Apurol; Geapur; Gotax; Remid; Urbol; Urolit; Urtias; Ketobun-A; Apulonga; Dabrosin; Dabroson; Ketanrift; Miniplanor; Nektrohan; Urobenyl; Adenock; Allozym; Aluline; Gichtex; Monarch; Riball; 4-Hydroxypyrazolo[3,4-d]pyrimidine; Hexanuret; Epuric; 1H-Pyrazolo[3,4-d]pyrimidin-4(5H)-one; Allo-Puren; 4-HPP; Allopurinol(I); Dura Al; Allopurinolum; Aloprim; Urtias 100; 4-Hydroxypyrazolopyrimidine; 1H-Pyrazolo(3,4-d)pyrimidin-4-ol; 4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidine; Alopurinol; 4-Hydroxy-3,4-pyrazolopyrimidine; 4-Hydroxypyrazolo(3,4-d)pyrimidine; Alopurinol [INN-Spanish]; Allopurinolum [INN-Latin]; 180749-08-0; NSC-1390; 180749-06-8; 1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one; 4-Hydroxypyrazolyl(3,4-d)pyrimidine; 4H-Pyrazolo(3,4-d)pyrimidin-4-one; 4'-Hydroxypyrazolol(3,4-d)pyrimidine; AL-100; BW 56-158; Zyloprim (TN); 73334-58-4; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one; 2H-Pyrazolo[3,4-d]pyrimidin-4-ol; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-; B. W. 56-158; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-one; BW-56-158; UNII-63CZ7GJN5I; 180749-09-1; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one; MLS000069453; 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-; CHEBI:40279; 1H-pyrazolo[3,4-d]pyrimidin-4(2H)-one; MFCD00599413; 180749-07-9; 184789-03-5; 63CZ7GJN5I; SMR000059083; 4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol (9CI); 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,7-dihydro- (9CI); 1,5-Dihydropyrazolo[3,4-d]pyrimidin-4-one; 1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one; NSC1390; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro-; NSC101655; NSC-101655; NCGC00015094-02; NCGC00094580-04; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 2,5-dihydro- (9CI); 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 2,7-dihydro- (9CI); BW 56158; BW-56158; Sigapurol; Uritas; 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one; DSSTox_CID_2573; 1,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-one; DSSTox_RID_76636; DSSTox_GSID_22573; 4H-Pyrazolo[3, 1,5-dihydro-; Ailurial; WLN: T56 BMN GN INJ FQ; 4-Hydroxypyrazolyl[3,4-d]pyrimidine; 4'-Hydroxypyrazolol[3,4-d]pyrimidine; NSC 1390; CAS-315-30-0; CCRIS 626; NSC 101655; HSDB 3004; SR-05000001983; EINECS 206-250-9; Hexanurat; Uricto; ATH008; Xanthine oxidase; Prestwick_511; Xanthomax-100; Xanthomax-300; 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,2-dihydro-; Aluline 100; Aluline 300; Hamarin 100; Hamarin 300; Zyloric-300; Allopurinol [USAN:USP:INN:BAN:JAN]; Allopurinol (Zyloprim); Spectrum_000026; Opera_ID_1680; Spectrum2_000098; Spectrum3_000289; Spectrum4_000135; Spectrum5_000768; Lopac-A-8003; 1,4-d]pyrimidin-4-one; A 8003; cid_2094; SCHEMBL4627; CHEMBL1467; NCIOpen2_001825; Lopac0_000102; BSPBio_001798; KBioGR_000550; KBioSS_000386; MLS001148183; US9138393, Allopurinol; US9144538, Allopurinol; DivK1c_000685; SPECTRUM1500108; SPBio_000056; GTPL6795; SCHEMBL1128219; Allopurinol (JP17/USP/INN); DTXSID4022573; BDBM35440; HMS502C07; KBio1_000685; KBio2_000386; KBio2_002954; KBio2_005522; KBio3_001298; NINDS_000685; BDBM181133; HMS1920A15; HMS2091G15; HMS2234M09; HMS3259K13; HMS3260E06; HMS3371I11; HMS3651O13; HMS3714L22; Pharmakon1600-01500108; 4-Hydroxypyrazol[3,4-D]pyrimidine; ACT02732; AMY18272; BCP26973; HY-B0219; STR05189; Tox21_110082; Tox21_200922; Tox21_500102; 2204AH; 4-Hydroxy-pyrazolo[3,4-d]pyrimidin; AC-019; BBL009959; BDBM50016784; BDBM50140241; CCG-38916; NSC755858; s1630; SC1118; SC2251; STK378584; STK711106; ZINC13298313; AKOS000267490; AKOS000269759; AKOS024255717; Tox21_110082_1; Allopurinol, xanthine oxidase inhibitor; CCG-204197; CCG-221406; CCG-266128; DB00437; LP00102; MCULE-5186178136; NC00492; NSC-755858; SB10164; SDCCGSBI-0050090.P005; IDI1_000685; NCGC00015094-01; NCGC00015094-03; NCGC00015094-04; NCGC00015094-05; NCGC00015094-06; NCGC00015094-07; NCGC00015094-08; NCGC00015094-22; NCGC00091134-01; NCGC00091134-02; NCGC00091134-03; NCGC00094580-01; NCGC00094580-02; NCGC00094580-05; NCGC00188948-01; NCGC00258476-01; NCGC00260787-01; 291279-53-3; TS-00028; 2h-pyrazolo[3,4-d]pyrimidin-4(5h)-one; 2H-pyrazolo[3,4-d]pyrimidin-4(7H)-one; SBI-0050090.P004; DB-065332; 2H-Pyrazolo[3,4-d]pyrimidin-4-ol (9CI); A0907; EU-0100102; FT-0602537; FT-0661492; FT-0685730; FT-0764079; SW199406-4; 1,5-dihydropyrazolo[3,4-d]-pyrimidin-4-one; VU0611037-1; BIM-0061756.0001; D00224; F18007; AB00173448-03; AB00173448-04; AB00173448_05; AB01274719-01; AB01274719_02; 4h-pyrazolo[3,4-d]pyrimidin-4-one,1,7-dihydro-; 4h-pyrazolo[3,4-d]pyrimidin-4-one,2,5-dihydro-; 4h-pyrazolo[3,4-d]pyrimidin-4-one,2,7-dihydro-; AB-323/25048497; Allopurinol (4-Hydroxypyrazolo[3,4-d]pyrimidine); Q412486; SR-01000075595; 4H-pyrazolo[3,4-d]pyrimidin-4-one, 1,7-dihydro-; J-504736; SR-01000075595-1; SR-05000001983-1; SR-05000001983-2; W-106892; 1,2-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE; 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one (9CI); F2173-0394; F3329-0375; Z228474686; Allopurinol, British Pharmacopoeia (BP) Reference Standard; Allopurinol, European Pharmacopoeia (EP) Reference Standard; Allopurinol, United States Pharmacopeia (USP) Reference Standard; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one Synonym: Allopurinol; Allopurinol, Pharmaceutical Secondary Standard; Certified Reference Material; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol;1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE; 9002-17-9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:40279	DB00437	DR00074	DR0066	136.11	C5H4N4O	70.1	190	-0.7	10	2	3	0	"1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)"	C1=NNC2=C1C(=O)NC=N2	OFCNXPDARWKPPY-UHFFFAOYSA-N
DG01314	Anagrelide	135409400	"Anagrelide; 68475-42-3; Anagrelida; Xagrid; Anagrelidum; 6,7-Dichloro-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one; UNII-K9X45X0051; CHEMBL760; 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one; CHEBI:142290; Imidazo[2,1-b]quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-; K9X45X0051; Anagrelide [INN:BAN]; Anagrelidum [INN-Latin]; Anagrelida [INN-Spanish]; 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one; 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one; Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-; C10H7Cl2N3O; HSDB 7325; BL 416201; Anagrelide (INN/BAN); BRN 0619582; 6,7-dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-Dichlor-1,5-dihydroimidazo(2,1-b)chinazolin-2(3H)-on; 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one; SCHEMBL9411; BIDD:GT0711; GTPL7114; 6,7-dichloro-1,5-dihydroimidazo[2,1-]quinazolin-2(3H)-one; 6,7-dichloro-3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one; HMS2089D21; HMS3715J06; HMS3742K13; BCP21314; HY-B0523; ZINC3871541; BDBM50000334; MFCD00866794; AKOS015899342; AKOS016340524; AC-3401; CCG-221242; DB00261; KS-5176; NCGC00161408-02; NCGC00161408-08; NCGC00247665-01; AS-14157; K139; SBI-0206823.P001; DB-055153; CS-0009495; FT-0602855; FT-0630776; D07455; AB00698496-05; AB00698496-07; AB00698496_08; AB01566808_01; 475A423; A915719; Q408163; 6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol; BRD-K62200014-003-05-5; BRD-K62200014-003-08-9; 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one; 6,7-dichloro-1h,5h-imidazo[2,1-b]quinazoline-2(3h)-one; 6,7-dichloro-1, 5-dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-Dichloro-1,5-dihydroimidazo[2,1-b]-quinazolin-2(3H)-one; 6,7-dichloro-1,5dihydroimidazo[2,1-b]quinazolin-2[3H]-one; 6,7-dichloro-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-2-one; Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-; 6,7-di-chloro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3 H ]-one base; 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one(anagrelide); 6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-2-one(BL-4162A); J33"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:142290	DB00261	.	.	256.079	C10H7Cl2N3O	44.7	360	1.6	16	1	2	0	"1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)"	C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3	OTBXOEAOVRKTNQ-UHFFFAOYSA-N
DG01315	Tegaserod	135409453	"Tegaserod; 145158-71-0; Tegaserod maleate; 2-((5-Methoxy-1H-indol-3-yl)methylene)-N-pentylhydrazinecarboximidamide; CHEMBL76370; CHEBI:51043; NCGC00095192-01; 1-(((5-Methoxyindol-3-yl)methylene)amino)-3-pentylguanidine; DSSTox_CID_25955; DSSTox_RID_81251; DSSTox_GSID_45955; UNII-458VC51857; 189188-57-6; MLS001401406; 2-[(5-methoxy-2,3-dihydro-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide; CAS-145158-71-0; Tegaserod (USAN/INN); SMR000471618; tegaserodum; SDZ-HTF-919; 458VC51857; Spectrum5_001691; SCHEMBL16464; BSPBio_002344; BSPBio_003270; SPECTRUM1505823; SCHEMBL8194377; SCHEMBL8229619; DTXSID6045955; SCHEMBL15654154; BDBM79022; CHEBI:94540; cid_6918369; HMS1922J08; Tox21_111481; BDBM50240618; ZINC11676968; AKOS015913793; Tox21_111481_1; AC-4564; AM84414; DB01079; NCGC00095192-02; NCGC00095192-03; NCGC00095192-04; NCGC00095192-05; NCGC00095192-08; NCGC00095192-11; HY-14153; LS-14526; CS-0003233; 58T710; D06056; AB01209613-01; AB01209613-03; AB01563050_01; A909403; J-008063; BRD-K88743730-001-01-0; (2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide; (Z)-2-butenedioic acid;1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine; (Z)-but-2-enedioic acid;1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine; 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine;maleic acid; (Z)-but-2-enedioic acid;1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51043	DB01079	.	DR1541	301.39	C16H23N5O	87.8	385	2.6	22	3	3	8	"1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+"	CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC	IKBKZGMPCYNSLU-RGVLZGJSSA-N
DG01363	Durvalumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB11714	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01366	Enfortumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody drug conjugate	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01369	Erenumab	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01370	Estrogen	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01375	Fibrinogen	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01376	Fremanezumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01377	Furazolidinone	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01378	Galcanezumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01388	Ipilimumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01401	Mogamulizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01405	Nimotuzumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01406	Nivolumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB09035	.	DR2826	.	.	.	.	.	.	.	.	.	.	.	.
DG01412	Palivizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01436	Tagraxofusp	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01442	Thyrotropin	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01443	Tildrakizumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01461	Ampicillin-sulbactam	119561	"Ampicillin sodium and sulbactam sodium; 94935-63-4; Ampicillin mixture with Sulbactam; Sulacillin; Ampicillin-sulbactam; (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,4S)-3,3-dimethyl-2,2,6-trioxo-2lambda6-thiabicyclo[3.2.0]heptane-4-carboxylic acid; Sulbactam-Ampicillin mixt. (1:2); Ampicillin-sulbactam mixt.; AMPICILLIN AND SULBACTAM; DTXSID60241694; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, mixt. with (2S,5R)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, mixt. with (2S-cis)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	581.7	5	C25H31N3O9S2	235	1000	.	39	4	11	CC1([C@@H](C2[C@H](S1(=O)=O)CC2=O)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C	"InChI=1S/C16H19N3O4S.C9H12O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-9(2)7(8(11)12)6-4(10)3-5(6)15(9,13)14/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);5-7H,3H2,1-2H3,(H,11,12)/t9-,10-,11+,14-;5-,6 ,7+/m11/s1"	KMEGBUCIGMEPME-LQYKFRDPSA-N
DG01462	PD173074	1401	"219580-11-7; PD173074; PD 173074; PD-173074; 1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; UNII-A4TLL8634Y; A4TLL8634Y; CHEMBL189584; PD-0173074; CHEBI:63448; C28H41N7O3; MFCD08705327; 1-tert-butyl-3-(2-(4-(diethylamino)butylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; 1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea; 3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea; 2fgi; SMR000568412; MLS001074892; MLS006011101; SCHEMBL177946; Pyrido[2,3-d]pyrimidine 12; BDBM6190; GTPL5037; AOB2517; DTXSID30176363; EX-A197; SYN1176; BCPP000121; HMS2233G17; HMS3265E09; HMS3265E10; HMS3265F09; HMS3265F10; HMS3371E08; HMS3648A10; HMS3654L09; BCP02368; ZINC3870533; NSC766908; s1264; AKOS016008595; BCP9001065; CCG-264881; CS-0182; NSC-766908; QC-7737; SB19382; NCGC00165863-01; NCGC00165863-02; NCGC00165863-17; AC-24850; AS-16310; BP162784; HY-10321; N-[2-[[4-(Diethylamino)butyl]amino] -6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-y l]-N'-(1,1-dimethylethyl)urea; FT-0673540; P2474; SW218104-2; X7486; PD 173074, >=96% (HPLC), powder; A25450; SR-01000837541; J-014372; J-523314; SR-01000837541-2; Q27088276; FGF/VEGF Receptor Tyrosine Kinase Inhibitor, PD173074 - CAS 219580-11-7; 1-(tert-Butyl)-3-[7-[[4-(diethylamino)butyl]amino]-3-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]urea; 1-tert-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2,3-d)pyrimidin-7-yl)urea; N-(tert-Butyl)-N -[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea; N-[2-[[4-(Dethylamno)butyl]amno]-6-(3,5-dmethoxyphenyl)pyrdo[2,3-d ]pyrmdn-7-yl]-n'-(1,1-dmethylethyl)urea; N-[2-[[4-(Diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5- dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1- dimethylethyl)urea; N-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-urea; N-[2-[[4-(Diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea; PD 173074;n-[2-[[4-(diethylamino)butyl]amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:63448	.	.	.	523.7	13	C28H41N7O3	114	690	4.5	38	3	8	CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C	"InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)"	DXCUKNQANPLTEJ-UHFFFAOYSA-N
DG01463	AG1296	2049	"146535-11-7; Tyrphostin AG 1296; 6,7-dimethoxy-2-phenylquinoxaline; AG-1296; AG 1296; 6,7-Dimethoxy-3-phenylquinoxaline; ag1296; Tyrphostin AG-1296; Quinoxaline, 6,7-dimethoxy-2-phenyl-; Tyrphostin AG1296; CHEMBL71191; MFCD00270913; tyrphostin-AG1296; 6,7-Dimethoxy-2-phenylquinozaline; tyrphostin-AG-1296; BiomolKI_000055; BiomolKI2_000061; BMK1-F7; BSPBio_001422; KBioGR_000142; KBioSS_000142; SCHEMBL595944; GTPL5915; QCR-71; ZINC8082; CHEBI:93335; KBio2_000142; KBio2_002710; KBio2_005278; KBio3_000283; KBio3_000284; DTXSID70163393; Bio2_000142; Bio2_000622; HMS1361H04; HMS1791H04; HMS1989H04; HMS3229M21; HMS3402H04; HMS3653H21; BCP06928; EX-A4245; Tyrphostin AG 1296, >=98%; 6,7-Dimethoxy-2-phenyl-quinoxaline; 2090AH; 2774AH; BDBM50154227; s8024; AKOS025287463; CCG-100659; Quinozaline, 6,7-dimethoxy-2-phenyl-; Tyrphostin AG 1296 (AG 1296); IDI1_033892; NCGC00163386-01; NCGC00163386-02; NCGC00163386-03; NCGC00163386-04; AS-62520; HY-13894; CS-0008498; SW220231-1; AG-1296; ; ; 6,7-Dimethoxy-2-phenylquinoxaline; SR-03000001061; J-008233; SR-03000001061-1; AG 1296 - CAS 146535-11-7; BRD-K76064317-001-03-2; BRD-K76064317-001-04-0; Q27074335"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:93335	.	.	.	266.29	3	C16H14N2O2	44.2	307	2.8	20	0	4	COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC	"InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3"	QNOXYUNHIGOWNY-UHFFFAOYSA-N
DG01464	Flutamide	3397	"Flutamide; 13311-84-7; Eulexin; Niftolide; Niftholide; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide; Sch 13521; NFBA; niftolid; Drogenil; Flutamin; Cebatrol, veterinary; Flutamida; Flutamidum; 4'-Nitro-3'-trifluoromethylisobutyranilide; Sch-13521; 2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide; N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)ISOBUTYRAMIDE; SCH13521; MFCD00072009; NSC 215876; Flutamide (Eulexin); alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; UNII-76W6J0943E; CHEMBL806; Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-; 4-Nitro-3-(trifluoromethyl)isobutyranilide; CHEBI:5132; Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-; 76W6J0943E; NSC-215876; NCGC00015452-09; Eulexine; Chimax; 4'-Nitro-3'-trifluoromethylisobutyramilide; CAS-13311-84-7; Ham's F-12 medium; Flutamidum [INN-Latin]; DSSTox_CID_11121; DSSTox_RID_78899; DSSTox_GSID_32004; Flutamida [INN-Spanish]; Flutamide USP25; N-[4-Nitro-3-(trifluoromethyl)phenyl]isobutyramide; Prostandril; Odyne; SMR000058187; Eulexin (TN); CCRIS 7246; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-; SR-01000075888; EINECS 236-341-9; BRN 2157663; .alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; 4'-Nitro-3'-(trifluoromethyl)isobutyranilide; Flutamide [USAN:USP:INN:BAN]; Flutamide,(S); Prestwick_228; NK-601; Spectrum_001210; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide; CPD000058187; Prestwick0_000180; Prestwick1_000180; Prestwick2_000180; Prestwick3_000180; Spectrum2_001201; Spectrum3_001421; Spectrum4_000829; Spectrum5_001450; Lopac-F-9397; F0663; Flutamide (pubertal study); F 9397; SCHEMBL3934; Lopac0_000557; BSPBio_000079; BSPBio_003122; KBioGR_001377; KBioSS_001690; MLS000069634; MLS001065596; MLS002548892; DivK1c_000459; SPECTRUM1500995; SPBio_000982; SPBio_002000; Flutamide (JP17/USP/INN); BPBio1_000087; GTPL6943; CHEMBL4759307; DTXSID7032004; SCHEMBL12932289; HMS501G21; KBio1_000459; KBio2_001690; KBio2_004258; KBio2_006826; KBio3_002342; NINDS_000459; HMS1568D21; HMS1921O16; HMS2090I18; HMS2092O14; HMS2095D21; HMS2230P19; HMS3259I03; HMS3261P15; HMS3373C12; HMS3655G22; HMS3712D21; Pharmakon1600-01500995; AMY32524; BCP23006; HY-B0022; ZINC3812944; Tox21_110154; Tox21_202169; Tox21_300536; Tox21_500557; BDBM50131270; CCG-39105; m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-; NSC147834; NSC215876; NSC757817; s1908; AKOS001025465; AKOS025243203; m-Propionotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-; Tox21_110154_1; AB02835; DB00499; KS-5091; LP00557; MCULE-7498839065; NC00451; NSC-147834; NSC-757817; SDCCGSBI-0050540.P004; IDI1_000459; NCGC00015452-01; NCGC00015452-02; NCGC00015452-03; NCGC00015452-04; NCGC00015452-05; NCGC00015452-06; NCGC00015452-07; NCGC00015452-08; NCGC00015452-10; NCGC00015452-11; NCGC00015452-12; NCGC00015452-13; NCGC00015452-14; NCGC00015452-15; NCGC00015452-16; NCGC00015452-19; NCGC00015452-20; NCGC00015452-32; NCGC00091460-01; NCGC00091460-02; NCGC00091460-03; NCGC00091460-04; NCGC00091460-05; NCGC00091460-06; NCGC00091460-07; NCGC00091460-08; NCGC00091460-09; NCGC00254495-01; NCGC00259718-01; NCGC00261242-01; AC-24192; BF166239; SY036411; SBI-0050540.P003; DB-042163; 3'-Trifluoromethyl-4'-Nitro-Isobutyranilide; AB00052188; EU-0100557; FT-0626493; FT-0668764; SW196536-4; 4''-nitro-3''-trifluoromethylisobutyranilide; C07653; D00586; J10037; AB00052188-09; AB00052188_10; AB00052188_11; 311F847; A806562; Q418669; Q-201131; SR-01000075888-1; SR-01000075888-6; SR-01000075888-7; SR-01000075888-9; BRD-K28307902-001-05-0; Flutamide, certified reference material, TraceCERT(R); Z56755651; a,a,a-Trifluoro-2-methyl-4'-nitro- m-propionotoluidide; Flutamide, European Pharmacopoeia (EP) Reference Standard; 2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide #; Flutamide, United States Pharmacopeia (USP) Reference Standard; 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide;Flutamide; alpha,alpha,alpha-trifluoro-2-methyl-4''-nitro-m-propionotoluidide; .alpha.,.alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide; m-Propionotoluidide, 2-methyl-4'-nitro-.alpha.,.alpha.,.alpha.-trifluoro-; m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI); Flutamide for system suitability, European Pharmacopoeia (EP) Reference Standard; 37209-54-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5132	DB00499	DR0733	DR00846	276.21	2	C11H11F3N2O3	74.9	352	3.3	19	1	6	CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F	"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)"	MKXKFYHWDHIYRV-UHFFFAOYSA-N
DG01465	GO6976	3501	"Go 6976; 136194-77-9; GO6976; Go-6976; Goe 6976; UNII-B9IQO7JZ16; 5,6,7,13-Tetrahydro-13-Methyl-5-oxo-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile; 3-(13-Methyl-5-oxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12(13H)-yl)propanenitrile; B9IQO7JZ16; CHEMBL302449; C24H18N4O; CHEBI:51913; 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole; 12H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-; 12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-; 12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrolo[3,4-c]carbazole; 3-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propanenitrile; Kinome_3630; Gouml 6976; CBiol_001871; BSPBio_001101; KBioGR_000441; KBioSS_000441; 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)-carbazole; 13-Methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-12-propanenitrile; Goe-6976; BDBM3033; GTPL5973; QCR-45; SCHEMBL2175239; BCBcMAP01_000156; KBio2_000441; KBio2_003009; KBio2_005577; KBio3_000821; KBio3_000822; AOB4516; DTXSID70159731; Bio1_000157; Bio1_000646; Bio1_001135; Bio2_000381; Bio2_000861; HMS1362G03; HMS1792G03; HMS1990G03; HMS3229E13; HMS3403G03; BCP06797; ZINC1554668; 2437AH; 3-[methyl(oxo)[ ]yl]propanenitrile; EI-269; MFCD00236434; s7119; AKOS024457007; AT23580; CCG-206755; IDI1_002136; NCGC00163451-01; NCGC00163451-02; NCGC00163451-03; NCGC00163451-04; AS-16804; BG168444; HY-10183; CS-0002498; FT-0697606; EC-000.2399; G   6976, >=98% (HPLC), powder; A924795; G  6976; InSolution Go 6976 - CAS 136194-77-9; Go 6976 - CAS 136194-77-9; J-006821; BRD-K59304176-001-02-5; BRD-K59304176-001-03-3; Q27077832; 3-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propionitrile; 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10.0^{4,9.0^{11,15.0^{17,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile; 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile; 3-(9-methyl-1-oxo-2,3-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-8(9H)-yl)propanenitrile; 3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-3-yl}propanenitrile; 3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:51913	.	.	.	378.4	2	C24H18N4O	62.8	730	3.2	29	1	2	CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O	"InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)"	VWVYILCFSYNJHF-UHFFFAOYSA-N
DG01466	JANEX-1	3794	"JANEX-1; 202475-60-3; WHI-P131; jak3 inhibitor i; Janex 1; 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol; 4-(6,7-dimethoxyquinazolin-4-ylamino)phenol; 4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol; UNII-1J8Q49TR3I; 1J8Q49TR3I; CHEMBL405130; 4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol; 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-phenol; 4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline; 4-((6,7-dimethoxy-4-quinazolinyl)amino)phenol; WHI P131; WHI-P131(Janex 1); Lopac0_001238; SCHEMBL29295; ZINC9851; WHI-P131; JANEX-1; WHI-P 131; WHI-P-131; AOB1974; BCP14722; EX-A2590; 1808AH; BDBM50227519; MFCD01862614; NSC800774; s5903; AKOS002350929; CS-1604; NSC-800774; NCGC00379000-03; AS-35320; HY-15508; QC-11660; 4-(4-hydroxyanilino)-6,7-dimethoxyquinazoline; A925799; J-013147; Phenol, 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-; 4-(4'-Hydroxylphenyl)-amino-6,7-dimethoxyquinazoline hydrochloride dihydrate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	297.31	4	C16H15N3O3	76.5	350	3	22	2	6	COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)O)OC	"InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)"	HOZUXBLMYUPGPZ-UHFFFAOYSA-N
DG01467	LY-294002	3973	"154447-36-6; LY294002; LY 294002; 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one; LY-294002; 2-morpholino-8-phenyl-4H-chromen-4-one; 2-morpholin-4-yl-8-phenyl-4H-chromen-4-one; UNII-31M2U1DVID; 2-morpholin-4-yl-8-phenylchromen-4-one; 2-(morpholin-4-yl)-8-phenylchromen-4-one; 15447-36-6; 2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one; NSC 697286; 31M2U1DVID; 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE; CHEMBL98350; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-; CHEBI:65329; SF 1101; LY2; Ly 294002 HCl; LY-294,002; 2-Morpholin-4-yl-8-phenyl-chromen-4-one; BMK1-D5; Lys 294002; 4azt; 2-morpholino-8-phenyl-chromen-4-one; Kinome_3543; Tocris-1130; 1yi3; BiomolKI_000029; Lopac-L-9908; 8-Phenyl-2-(morpholin-4-yl)-chromen-4-one; BiomolKI2_000037; CBiol_002046; Lopac0_000710; SCHEMBL94377; BSPBio_001223; KBioGR_000563; KBioSS_000563; MLS006010131; 2-Morpholino-8-phenylchromone; 2-(4-morpholino)-8-phenyl-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl; GTPL6004; ZINC6014; DTXSID6042650; BCBcMAP01_000117; BDBM12915; KBio2_000563; KBio2_003131; KBio2_005699; KBio3_001005; KBio3_001006; EX-A073; SYN1108; BCPP000177; Bio1_000332; Bio1_000821; Bio1_001310; Bio2_000442; Bio2_000922; HMS1362M05; HMS1792M05; HMS1990M05; HMS3229G17; HMS3403M05; HMS3649E04; HMS3654M21; AMY40921; BCP00195; HSCI1_000206; NSC697286; NSC755769; s1105; AKOS017344742; BCP9000880; CCG-100633; CS-0150; DB02656; NSC-697286; NSC-755769; QC-7260; SB10965; SDCCGSBI-0050688.P003; SF-1101; IDI1_002197; NCGC00015622-01; NCGC00015622-02; NCGC00015622-03; NCGC00015622-04; NCGC00015622-05; NCGC00015622-06; NCGC00015622-07; NCGC00015622-23; NCGC00015622-27; NCGC00025020-01; NCGC00025020-02; NCGC00025020-03; NCGC00025020-04; NCGC00179253-01; AC-30295; AS-16252; HY-10108; NCI60_034712; SMR002530642; LY-924002; FT-0660382; M2410; SW217688-2; X7411; EC-000.2341; 2-Morpholino-8-phenyl-4-oxo-4H-1-benzopyran; K00235; J-510126; Q4042503; SR-01000076245-7; 4H-1-Benzopyran-4-one,2-(4-morpholinyl)-8-phenyl-; BRD-K27305650-001-05-9; InSolution LY 294002 - CAS 154447-36-6; LY-294,002 hydrochloride, solid, >=98% (HPLC); LY 294002 - CAS 154447-36-6; 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI); H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI); LY 294002; 2-(4-Morpholino)-8-phenyl-4H-1-benzopyran-4-one"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:65329	DB02656	.	.	307.3	2	C19H17NO3	38.8	463	3.1	23	0	4	C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4	"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2"	CZQHHVNHHHRRDU-UHFFFAOYSA-N
DG01468	PD98059	4713	"167869-21-8; PD 98059; PD98059; 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one; PD 98,059; PD-98059; 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one; 2-(2-amino-3-methoxyphenyl)chromen-4-one; 2'-AMINO-3'-METHOXYFLAVONE; PD-098059; 4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyphenyl)-; UNII-SJE1IO5E3I; SJE1IO5E3I; CHEMBL35482; C16H13NO3; CHEBI:77954; MFCD00671789; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one; SR-01000076097; PD 098059; 2-(2-Amino-3-methoxyphenyl)-chromen-4-one; NSC 679829; Tocris-1213; PD098059; Lopac-P-215; BiomolKI_000001; 2-(2-amino-3-methoxy-phenyl)chromen-4-one; BiomolKI2_000011; PD 98,059, solid; Lopac0_001028; BMK1-B1; BSPBio_000996; KBioGR_000336; KBioSS_000336; 2-(2'-amino-3'-methoxyphenyl)oxanaphthalen-4-one; MLS006010134; SCHEMBL157826; 4H-1-Benzopyran-4-one,2-(2-amino-3-methoxyphenyl)-; GTPL5241; QCR-14; 2''-amino-3''-methoxyflavone; BCBcMAP01_000049; KBio2_000336; KBio2_002904; KBio2_005472; KBio3_000671; KBio3_000672; AOB2598; DTXSID40168416; BCPP000123; Bio1_000475; Bio1_000964; Bio1_001453; Bio2_000338; Bio2_000818; HMS1362B17; HMS1792B17; HMS1990B17; HMS3229M08; HMS3263M17; HMS3267D03; HMS3403B17; HMS3412O09; HMS3649N14; HMS3654I16; HMS3676O09; BCP02423; EX-A2127; ZINC1420826; Tox21_501028; BDBM50108771; NSC679828; s1177; AKOS015995212; BCP9001060; BP34124; CCG-100605; CS-0169; LP01028; NSC 679828; NSC-679828; SB16629; SDCCGSBI-0051000.P003; IDI1_002093; SMP2_000052; NCGC00015790-01; NCGC00015790-02; NCGC00015790-03; NCGC00015790-04; NCGC00015790-05; NCGC00015790-06; NCGC00015790-07; NCGC00015790-08; NCGC00025045-01; NCGC00025045-02; NCGC00025045-03; NCGC00025045-04; NCGC00025045-05; NCGC00179347-01; NCGC00261713-01; AC-28412; AS-19374; HY-12028; NCI60_028554; SMR001456459; EU-0101028; FT-0716482; P-215; SW218254-2; X7398; EC-000.2425; A25454; P-4313; PD 98059 & Z-100; InSolution PD 98059 - CAS 167869-21-8; J-505513; SR-01000076097-1; SR-01000076097-3; SR-01000076097-6; 2-(2-amino-3-methoxyphenyl)-4-oxo-4H-[1]benzopyran; BRD-K62810658-001-05-6; BRD-K62810658-001-06-4; Q27088281; 2-(2-Amino-3-methoxy-phenyl)-chromen-4-one(PD98059); PD 98059 - CAS 167869-21-8; 4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)- & Z-100"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:77954	.	.	.	267.28	2	C16H13NO3	61.6	407	2.9	20	1	4	COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2	"InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3"	QFWCYNPOPKQOKV-UHFFFAOYSA-N
DG01469	Tegafur	5386	"Tegafur; Ftorafur; 17902-23-7; Futraful; Fluorofur; Sinoflurol; Citofur; Fental; Neberk; Furofutran; Coparogin; Florafur; Fulfeel; Furafluor; Nitobanil; Exonal; Lamar; Lifril; Tefsiel C; 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; Franroze; Furflucil; Sunfral; Riol; FT-207; Phthorafur; 1-(2-Tetrahydrofuryl)-5-fluorouracil; 5-Fluoro-1-(tetrahydro-2-furyl)uracil; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-; MJF-12264; Fluorafur; Franrose; Sunfural; Fulaid; NSC-148958; 5-FLUORO-1-(TETRAHYDRO-2-FURFURYL)URACIL; FT 207; 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4-pyrimidinedione; N1-(2-tetrahydrofuryl)-5-fluorouracil; 1-(Tetrahydrofuran-2-yl)-5-fluorouracil; 5-Fluoro-1-(tetrahydrofuran-2-yl)uracil; URACIL, 5-FLUORO-1-(TETRAHYDRO-2-FURYL)-; Uracil, 1-(tetrahydrofuran-2-yl)-5-fluoro-; MFCD00012351; 5-Fluoro-1-(tetrahydro-3-furyl)uracil; 1-(Tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione; MLS000069497; CHEBI:32188; 1-(2-TETRAHYDROFORMYL)-5-FLUOROURACIL; 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione; C8H9FN2O3; 5-fluoro-1-tetrahydrofuran-2-yl-pyrimidine-2,4-dione; NCGC00159418-02; NCGC00159418-05; SMR000059106; Racemic Ftorafur; DSSTox_CID_1305; DSSTox_RID_76070; DSSTox_GSID_21305; Phthorafur [Czech]; FT-207 (NSC 148958); Tegafurum; Tegafurum [INN-Latin]; NSC 148958; CAS-37076-68-9; CCRIS 2762; FT207; EINECS 241-846-2; BRN 0525766; Atillon; N1-(2'-Tetrahydrofuryl)-5-fluorouracil; 1-(Tetrahydro-2-furanyl)-5-fluorouracil; N(sub 1)-(2-Tetrahydrofuryl)-5-fluorouracil; Tegafur [USAN:INN:BAN:JAN]; N(sub 1)-(2'-Furanidyl)-5-fluouracil [Czech]; Atillon (TN); Tegafur ,(S); N(sub 1)-(2'-Furanidyl)-5-fluouracil; TS-1 (Salt/Mix); Opera_ID_1726; UPCMLD-DP063; SCHEMBL4552; 5-24-06-00285 (Beilstein Handbook Reference); MLS000759414; MLS001076521; MLS001424119; CHEMBL20883; Tegafur (JP17/USAN/INN); F-5-FU; UPCMLD-DP063:001; GTPL10513; DTXSID001009966; HMS1665I05; HMS2051B15; HMS2090K04; HMS2232E05; HMS3371H21; HMS3393B15; HMS3654P13; HMS3715D14; N1-(2'-Furanidyl)-5-fluouracil; 2,4(1H,3H)Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-; 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione; BCP22714; 5-fluoro-1-(tetrahydrofuran-2-yl); N1-(2'-Furanidyl)-5-fluorouracil; Tox21_111649; Tox21_301812; BBL027795; CCG-50110; STK528044; Tegafur, >=98% (HPLC), powder; 5-Fluoro-1-(2-tetrahydrofuryl)uracil; AKOS000121279; Tox21_111649_1; AC-2112; CCG-100959; CS-1128; DB09256; MCULE-1366455644; NC00209; 1-(tetrahydro-2-furyl)-5-fluorouracil; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, didehydroderiv.; 5-fluoro-1-(2-tetrahydrofuranyl)uracil; N1 -(2-tetrahydrofuryl)-5-fluorouracil; NCGC00159418-04; NCGC00255222-01; 79107-97-4; 82294-77-7; AS-13528; HY-17400; I580; Tegafur (FT-207; NSC 148958); J356.722B; FT-0653732; FT-0654170; FT-0674829; FT-0693965; D01244; J10344; AB00572620-15; 902T237; A812417; Q413370; SR-01000639511; Q-201784; SR-01000639511-1; SR-01000639511-4; 5-fluoro-1-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione; 5-Fluoro-1-tetrahydro-2-furanyl-2,4(1H,3H)-pyrimidinedione; 2, 4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32188	DB09256	DR1539	.	200.17	1	C8H9FN2O3	58.6	316	-0.3	14	1	4	C1CC(OC1)N2C=C(C(=O)NC2=O)F	"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)"	WFWLQNSHRPWKFK-UHFFFAOYSA-N
DG01470	Amiloride	16231	"AMILORIDE; Amipramidin; 2609-46-3; Midamor; Guanamprazine; Amipramizid; Amipramizide; Guanamprazin; Amilorida; 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide; Amiloridum; Amyloride; Amiloridum [INN-Latin]; Amilorida [INN-Spanish]; N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide; N-Amidino-3,5-diamino-6-chlorpyrazincarboxamid; UNII-7DZO8EB0Z3; 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide; 3,5-Diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide; MK-870; Amiloride hydrochloride hydrate; CHEMBL945; Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-; 7DZO8EB0Z3; CHEBI:2639; N-amidino-3,5-diamino-6-chloro-2-pyrazinecarboxamide; 137053-86-2; NCGC00015089-08; Amiloride [INN:BAN]; AMIPRAMIDINE; DSSTox_CID_23853; DSSTox_RID_80077; DSSTox_GSID_43853; Amiclaran; C6H8ClN7O; Amiclaran (TN); Amiloride (INN); CAS-2609-46-3; CCRIS 6545; EINECS 220-024-7; AmilorideHCl; Amikal (Hydrochloride dihydrate); Midamor (Hydrochloride dihydrate); MK-870 (Hydrochloride dihydrate); Spectrum_000034; Tocris-0890; 1f5l; Prestwick0_000007; Prestwick1_000007; Prestwick2_000007; Prestwick3_000007; Spectrum2_000118; Spectrum3_000293; Spectrum4_000132; Spectrum5_000776; Lopac-A-7410; Lopac0_000111; SCHEMBL27562; BSPBio_000013; BSPBio_001572; BSPBio_001826; KBioGR_000292; KBioGR_000544; KBioSS_000292; KBioSS_000394; MLS001060798; BIDD:GT0466; DivK1c_000182; SPBio_000136; SPBio_001934; BPBio1_000015; GTPL2421; DTXSID9043853; BCBcMAP01_000101; BDBM16173; KBio1_000182; KBio2_000292; KBio2_000394; KBio2_002860; KBio2_002962; KBio2_005428; KBio2_005530; KBio3_000583; KBio3_000584; KBio3_001326; NINDS_000182; Bio1_000359; Bio1_000848; Bio1_001337; Bio2_000292; Bio2_000772; HMS1791O14; HMS1989O14; HMS2089H05; HMS2213E05; HMS3355K04; ACT05635; ACT05652; BCP16815; HY-B0285; ZINC4340269; Tox21_110080; 3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide; BBL028157; STL373007; AKOS015961348; Tox21_110080_1; CCG-204206; DB00594; MCULE-5948863568; SB74937; SDCCGSBI-0050099.P005; IDI1_000182; IDI1_034042; NCGC00015089-01; NCGC00015089-02; NCGC00015089-03; NCGC00015089-04; NCGC00015089-05; NCGC00015089-06; NCGC00015089-07; NCGC00015089-09; NCGC00015089-11; NCGC00015089-12; NCGC00015089-13; NCGC00015089-14; NCGC00015089-15; NCGC00015089-16; NCGC00015089-17; NCGC00015089-24; NCGC00024443-02; NCGC00024443-05; NCGC00024443-06; NCGC00024443-07; NCGC00024443-09; AC-13631; LS-13128; SMR000486264; U460; (3,5-Diamino-6-chloropyrazinoyl)guanidine; SBI-0050099.P004; N-amidino-3,5-diamino-6-chloropyrazinamide; AB00053415; FT-0703177; C06821; D07447; AB00053415-24; AB00053415-25; AB00053415_26; AB00053415_27; AB00053415_28; 609A463; Q419995; J-016249; BRD-K97181089-003-02-3; BRD-K97181089-310-03-0; N-amidino 3,5-diamino-6-chloro-2-pyrazinecarboxamide; F2173-0531; N-(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-guanidine; 3,5-diamino-N-carbamimidoyl-6-chloro-pyrazine-2-carboxamide; 3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2639	DB00594	.	DR00207	229.63	1	C6H8ClN7O	159	279	-0.7	15	4	5	C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N	"InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)"	XSDQTOBWRPYKKA-UHFFFAOYSA-N
DG01471	Idarubicin	42890	"IDARUBICIN; 58957-92-9; 4-Demethoxydaunorubicin; 4-Demethoxydaunomycin; Idarubicine [INN-French]; Idarubicinum [INN-Latin]; Idarubicina [INN-Spanish]; UNII-ZRP63D75JW; NSC 256439; NSC-256439; ZRP63D75JW; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; Idarubicina; CHEBI:42068; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-; Idarubicine; Idarubicinum; Idarubicin [INN:BAN]; Idarubicinhydrochloride; DM5; MLS001401448; Daunomycin, 4-demethoxy-; NSC256439; (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione; Idarubicin (INN); Zavedos (TN); CCRIS 5083; NCGC00093976-03; SMR000466355; 4-DMD; SR-01000075934; I 1656; SCHEMBL3750; CHEMBL1117; Lopac0_000600; KBioSS_002388; Idarubicin hydrochloride, solid; cid_636362; GTPL7083; 4-DEMETHOXY-DAUNORUBICIN; DTXSID7023142; IDARUBICIN(Hydrochloride form); BDBM58490; BCPP000207; HMS2089D05; HMS3261H22; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; ZINC3920266; Tox21_500600; AKOS015895563; AC-9384; BCP9000773; CCG-204689; DB01177; LP00600; SDCCGSBI-0050582.P002; NCGC00093976-01; NCGC00093976-02; NCGC00093976-04; NCGC00093976-05; NCGC00093976-18; NCGC00261285-01; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-; EU-0100600; D08062; AB00698511-06; AB00698511-08; AB00698511-09; AB00698511-10; AB00698511_11; 957I929; A832088; A935911; Q1063862; SR-01000075934-1; BRD-K69650333-001-01-1; BRD-K69650333-001-02-9; BRD-K69650333-003-14-0; Idarubicin, United States Pharmacopeia (USP) Reference Standard; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; (7S,9S)-9-Acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; 4-Demethoxydaunorubicin; ; ; IMI-30; ; ; NSC-256439; ; ; (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:42068	DB01177	DR0852	DR00386	497.5	3	C26H27NO9	177	912	1.9	36	5	10	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O	"InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1"	XDXDZDZNSLXDNA-TZNDIEGXSA-N
DG01472	Staurosporine	44259	"Staurosporine; Staurosporin; 62996-74-1; (+)-Staurosporine; Antibiotic 230; Antibiotic AM 2282; AM-2282; CCRIS 3272; Antibiotic AM-2282; UNII-H88EPA0A3N; Alkaloid AM-2282 from Streptomyces; H88EPA0A3N; CHEMBL388978; CHEBI:15738; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)-; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14-one; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; GNF-PF-1389; methoxy-methyl-(methylamino)[ ]one; SR-00000001485; Staurosporin, 4; 1nvr; 1stc; 1xbc; 1xjd; 1yhs; 2gcd; Staurosporine, 8; CGP 39360; Staurosporine & TNF; 1q3d; 1sm2; 2dq7; MolMap_000047; SCHEMBL8157; CBiol_001978; BSPBio_001146; GTPL346; BDBM2579; MEGxm0_000307; DTXSID6041131; 1u59; BCPP000063; Bio1_000264; Bio1_000753; Bio1_001242; HMS1990J07; HMS3650B17; EX-A1777; ZINC3814434; AM2282; NSC755774; s1421; AKOS015897119; AM 2282; CCG-208052; DB02010; NSC-755774; QTL1_000078; NCGC00162400-01; NCGC00162400-02; NCGC00162400-03; NCGC00162400-04; NCGC00162400-05; NCGC00162400-06; NCGC00162400-09; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)-benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S-(9alpha,10beta,11beta,13alpha)-; HY-15141; Staurosporine & Tumor necrosis factor (TNF); Staurosporine 100 microg/mL in Acetonitrile; Q5957181; SR-00000001485-4; BRD-K17953061-001-02-8; BRD-K17953061-001-04-4; BRD-K17953061-001-05-1; BRD-K17953061-001-08-5; BRD-K17953061-001-10-1; BRD-K17953061-001-11-9; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one; (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; [9S-(9 ,10 ,11 ,13 )]-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one; 109189-95-9; 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- & Tumor necrosis factor (TNF); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- (9CI); 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9alpha,10beta,11beta,13alpha)]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:15738	DB02010	.	DR00790	466.5	2	C28H26N4O3	69.4	901	3.2	35	2	4	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC	"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1"	HKSZLNNOFSGOKW-FYTWVXJKSA-N
DG01473	3-Deazaneplanocin	73087	"3-Deazaneplanocin; 3-Deazaneplanocin A; 102052-95-9; (1s,2r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; 3-Deazaneplanocin,DZNep; 3-Deazaneplanocin-A; UNII-544SH4020S; DZNep; (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; CHEMBL154745; 544SH4020S; 3-Deaza-neplanocin; c^Neplanocin A; 3-Deazaneplanocin A (DZNep) hydrochloride; 3-Deazaneplanocin A (DZNep; SCHEMBL863851; SCHEMBL12280736; DTXSID30144562; InSolution EZH2 Inhibitor, DZNep; AVS-4275; CEA05295; 3238AH; BDBM50096906; ZINC21290121; AKOS005146283; CS-0357; AC-27393; HY-10442; BRD-K77791657-001-01-1; Q15410156; (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine; 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo(4,5-c)pyridiny-1-yl)-3-(hydroxymethyl)-, (1S-(alpha,2alpha,5beta))-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	262.26	2	C12H14N4O3	117	378	-1.7	19	4	6	C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N	"InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1"	OMKHWTRUYNAGFG-IEBDPFPHSA-N
DG01474	Perifosine	148177	"Perifosine; 157716-52-4; KRX-0401; 1,1-Dimethylpiperidin-1-ium-4-yl octadecyl phosphate; (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate; Perifosine (KRX-0401); NSC 639966; D 21266; 1,1-dimethylpiperidinium-4-yl octadecyl phosphate; UNII-2GWV496552; KRX 0401; NSC639966; D-21266; NSC-639966; CHEBI:67272; 2GWV496552; NCGC00187909-01; Piperidinium, 4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt; 1,1-dimethylpiperidin-1-ium-4-yl octadecyl phosphate.; Piperidinium, 4-((hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethyl-, inner salt; Perifosine [INN]; NKA17; C25H52NO4P; octadecyl-(1,1-dimethyl-4-piperidylio)phosphate; 4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt; DSSTox_CID_28872; DSSTox_RID_83141; DSSTox_GSID_48946; SCHEMBL93872; CHEMBL372764; GTPL7424; DTXSID3048946; AOB3006; QCR-270; BCP00245; EX-A2229; YHI-1003; Tox21_113365; BDBM50431630; MFCD00927554; NSC800842; s1037; Piperidinium,1-dimethyl-, inner salt; AKOS005146344; CCG-269358; CS-0209; DB06641; EX-3388; GS-3834; NSC-800842; NCGC00187909-02; NCGC00187909-13; AC-25019; AM808092; HY-50909; CAS-157716-52-4; FT-0651459; W3423; A23834; D21266; Octadecyl-(1,1-dimethyl-4-piperidylio) phosphate; J-500086; Q3411917; Perifosine; KRX-0401; NSC 639966; D21266; 4-Hydroxy-1,1-dimethylpiperidinium hydroxide, octadecyl hydrogen phosphate, inner salt"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:67272	DB06641	.	.	461.7	20	C25H52NO4P	58.6	454	8.3	31	0	4	CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C	"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3"	SZFPYBIJACMNJV-UHFFFAOYSA-N
DG01475	Lonafarnib	148195	"Lonafarnib; 193275-84-2; Sarasar; Sch66336; Sch 66336; Sch-66336; UNII-IOW153004F; CHEMBL298734; IOW153004F; (R)-4-(2-(4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl)-2-oxoethyl)piperidine-1-carboxamide; 1-PIPERIDINECARBOXAMIDE, 4-[2-[4-[(11R)-3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL]-1-PIPERIDINYL]-2-OXOETHYL]-; 4-[2-[4-(6,15-Dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; 4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; Zokinvy; 1-Piperidinecarboxamide, 4-(2-(4-((11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-; 4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide; SMR004701448; Lonafarnib (USAN/INN); Lonafarnib [USAN:INN]; C27H31Br2ClN4O2; Lonafarnib (SCH66336); lonafarnibum; 4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo-(5,6)-cyclohepta(1,2-b)-pyridin-11(R)-yl)-1-piperidinyl)-2-oxo-ethyl)-1-piperidinecarboxamide; SCH-066336; 4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidinecarboxamide; 1o5m; (non-labelled)Lonafarnib-d9; SCHEMBL19032; Sarasar; ; ; SCH 66336; (+)-4-(2-(4-(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-piperidin-1-yl))-2-oxoethyl)-piperidine-1-carboxamide; MLS006010423; MLS006011106; GTPL8024; Lonafarnib, >=98% (HPLC); BDBM14459; CHEBI:47097; DTXSID90172927; BCP07027; EX-A1630; ZINC3950115; NSC719467; s2797; AKOS005145760; CCG-270312; CS-0792; DB06448; NSC-719467; NCGC00346707-01; 1-Piperidinecarboxamide, 4-(2-(4-((11R-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-; AC-32661; AS-56182; HY-15136; SW220034-1; Y0240; C73675; D04768; J-514232; Q3258910; (+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(R)-yl)-1-piperidin-yl]-2-oxo-ethyl]-1-piperidinecarboxamide; (+)-4[2-[4-(8-Chloro-3,11-dihydro-5H-benzo[5,6] cyclohepta[1,2-b]-pyridin-11(R)-yl-1-piperidinyl]-2-oxo-ethyl]-1-piperidinecarboxamide; 4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide; 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide; 4-[2-[4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5h-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-Piperidinyl]-2-oxoethyl]-1-Piperidi necarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47097	DB06448	DR1861	.	638.8	3	C27H31Br2ClN4O2	79.5	790	4.8	36	1	3	C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N	"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1"	DHMTURDWPRKSOA-RUZDIDTESA-N
DG01476	Cryptotanshinone	160254	"Cryptotanshinone; 35825-57-1; Tanshinone c; Cryptotanshinon; (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione; UNII-5E9SXT166N; C19H20O3; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione; (R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; MLS001049002; 5E9SXT166N; MFCD07636810; SMR000387041; 4733-35-1; 1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl[1,2-b]furan-10,11-dione; (-)-Cryptotanshinone; (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; SR-01000758222; NSC686518; starbld0002638; SPECTRUM1505812; CHEMBL187460; cid_160254; SCHEMBL5940386; BDBM57938; CHEBI:149838; Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-; HMS2269A22; BCP02909; Cryptotanshinone, >=90% (HPLC); Cryptotanshinone, >=98% (HPLC); HY-N0174; ZINC2109876; Cryptotanshinone, analytical standard; s2285; AKOS015895392; BCP9000554; CCG-208561; CS-3276; DB15579; MCULE-9919031730; NSC-686518; NCGC00163650-01; NCGC00163650-02; BS-17094; NCI60_031208; BCP0726000307; N1843; W2147; 825C571; A822990; Q-100429; SR-01000758222-3; SR-01000758222-4; BRD-K33336844-001-05-3; Q27261913; Phenanthro[1,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione; (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-quinone; (R)-(-)-1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione; (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione; 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl- (R)-phenanthro(1,2-b)furan-10,11-dione; Phenanthro[1,2-b]furan-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB15579	.	.	296.4	0	C19H20O3	43.4	571	3.8	22	0	3	C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	"InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1"	GVKKJJOMQCNPGB-JTQLQIEISA-N
DG01477	Seliciclib	160355	"Roscovitine; Seliciclib; 186692-46-6; R-Roscovitine; (R)-roscovitine; CYC202; CYC-202; CYC 202; 2-(R)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; Seliciclib (Roscovitine); Roscovitine (Seliciclib,CYC202); UNII-0ES1C2KQ94; (R)-2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; NSC-701554; AL-39256; CHEMBL14762; 0ES1C2KQ94; CHEBI:45307; (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; MFCD02266401; NSC701554; (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol; (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol; RRC; C19H26N6O; Rosco; (2R)-2-{[6-(benzylamino)-9-(1-methylethyl)-9H-purin-2-yl]amino}butan-1-ol; (2R)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; Seliciclib [INN]; NSC 701554; 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; BMK1-E12; 1unl; 3ddq; (2R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol; 2a4l; BiomolKI_000048; 1-Butanol, (2R)-; ROSCOVITINE(Seliciclib); BiomolKI2_000054; M02443; CBiol_002016; Lopac0_001102; SCHEMBL94728; BSPBio_001078; KBioGR_000418; KBioSS_000418; MLS006011028; BDBM7533; cid_160355; GTPL6035; Roscovitine, >=98% (TLC); BCBcMAP01_000013; KBio2_000418; KBio2_002986; KBio2_005554; KBio3_000795; KBio3_000796; AOB2095; DTXSID20171928; EX-A052; BCPP000087; Bio1_000302; Bio1_000791; Bio1_001280; Bio2_000379; Bio2_000859; CC205; HMS1362F19; HMS1792F19; HMS1990F19; HMS3229N13; HMS3403F19; AMY10845; BCP01760; Roscovitine (Seliciclib, CYC202); ZINC1649340; HSCI1_000092; NSC800881; s1153; (2R)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol; 6-(Benzylamino)-2(R)-[[1-(hydroxymethyl)propyl]amino]-9-isopropylpurine; AKOS005146319; AC-2416; CCG-100652; DB06195; NSC-800881; 2-(R)-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; IDI1_002134; Roscovitine - CAS 186692-46-6; SMP1_000266; 2,6,9-Trisubstituted purine deriv. 28; NCGC00094374-01; NCGC00094374-02; NCGC00094374-03; NCGC00094374-04; NCGC00094374-05; NCGC00094374-13; NCGC00094374-15; AS-56277; HY-30237; NCI60_036420; SMR004702823; SW220195-1; X7381; K00020; 692R466; A813074; J-011999; J-524224; Q3494619; BRD-K07691486-001-03-1; BRD-K07691486-001-05-6; UNII-AIR55KO85E component BTIHMVBBUGXLCJ-OAHLLOKOSA-N; (2R)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol; (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol; (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol; (R)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-1-butanol; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2R)-; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (R)-; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]- 9H-purin-2-yl]amino]-(R)-1-butanol; Seliciclib; ; ; CYC-202; ; ; (2R)-2-[[6-(Benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:45307	DB06195	DR1858	DR01494	354.4	8	C19H26N6O	87.9	417	3.2	26	3	6	CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1"	BTIHMVBBUGXLCJ-OAHLLOKOSA-N
DG01478	Enzastaurin	176167	"Enzastaurin; 170364-57-5; Enzastaurin (LY317615); LY317615; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; LY-317615; UNII-UC96G28EQF; 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione; UC96G28EQF; LY 317615; CHEMBL300138; DB102; DSSTox_CID_24029; DSSTox_RID_80101; DSSTox_GSID_44029; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; C32H29N5O2; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione; 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione; CAS-170364-57-5; 3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione; LE-0014; Enzastaurin [USAN:INN]; Enzastaurin,LY317615; Enzastaurin; LY317615; LY317615 - Enzastaurin; SCHEMBL678748; GTPL5693; DTXSID5044029; CHEBI:91368; AMY7827; BCPP000241; HMS3265M05; HMS3265M06; HMS3265N05; HMS3265N06; HMS3654A13; HMS3748E03; BCP02703; EX-A1055; WHO 8426; ZINC1494900; Tox21_113367; BDBM50128285; DB-102; MFCD11040980; NSC767124; NSC800096; s1055; AKOS015994764; Tox21_113367_1; AC-5900; BCP9000648; CCG-264797; CS-0132; DB06486; NSC-767124; NSC-800096; SB16481; NCGC00238452-01; NCGC00238452-02; NCGC00238452-03; NCGC00238452-11; HY-10342; DB-064781; FT-0667873; SW219797-1; W3715; EC-000.2315; 364E575; J-510442; Q5381479; BRD-K79404599-001-01-0; 1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-; 3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-; 3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1H-indol-3-yl]-pyrrole-2,5-dione; 3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91368	DB06486	DR1898	.	515.6	5	C32H29N5O2	72.2	974	3.7	39	1	4	CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7	"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)"	AXRCEOKUDYDWLF-UHFFFAOYSA-N
DG01479	NSC348884	335974	"NSC348884; 81624-55-7; NSC 348884; NSC-348884; N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine; NSC348884 hydrate; CHEMBL4584341; SCHEMBL12126212; DTXSID90319638; BCP09001; EX-A2342; s8149; ZINC77029766; BCP9000996; CCG-270304; CS-5564; LP01178; SDCCGSBI-0633803.P001; NSC 348884; AC-32976; BS-17560; HY-13915; C76613; N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine; N,N,N',N'-Tetrakis-(5-methyl-1H-benzoimidazol-2-ylmethyl)-ethane-1,2-diamine; N1,N1,N2,N2-Tetrakis((6-methyl-1H-benzo[d]imidazol-2-yl)methyl)ethane-1,2-diamine; (2-{bis[(6-methyl-1H-1,3-benzodiazol-2-yl)methyl]amino}ethyl)bis[(6-methyl-1H-1,3-benzodiazol-2-yl)methyl]amine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	636.8	11	C38H40N10	121	891	6.1	48	4	6	CC1=CC2=C(C=C1)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C=C4)C)CC5=NC6=C(N5)C=C(C=C6)C)CC7=NC8=C(N7)C=C(C=C8)C	"InChI=1S/C38H40N10/c1-23-5-9-27-31(15-23)43-35(39-27)19-47(20-36-40-28-10-6-24(2)16-32(28)44-36)13-14-48(21-37-41-29-11-7-25(3)17-33(29)45-37)22-38-42-30-12-8-26(4)18-34(30)46-38/h5-12,15-18H,13-14,19-22H2,1-4H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)"	KZOLQEUQAFTQFM-UHFFFAOYSA-N
DG01480	JW67	644733	"JW 67; 442644-28-2; JW67; CHEMBL1459534; SMR000013289; Trispiro[3H-indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-[3H]indole]-2,2'''(1H,1'''H)-dione (9CI); trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione; ChemDiv1_018326; Oprea1_749592; MLS000076453; MLS001385179; SCHEMBL21843254; HMS639A22; HMS2324F10; HMS3429N11; JW-67; ZINC4126706; BDBM50380615; STK056247; AKOS000550561; CID 644733; JW67, >=98% (HPLC); HY-108442; CS-0028671; SR-01000537125; SR-01000537125-1; Trispiro[3H-indole-3,2'-[1,3]dioxane-2'',3'''-[3H]indole]-2,2'''(1H,1'''H)-dione"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	394.4	0	C21H18N2O6	95.1	647	0.5	29	2	6	C1C2(COC3(O1)C4=CC=CC=C4NC3=O)COC5(C6=CC=CC=C6NC5=O)OC2	"InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)"	BTXRSHKJNDFHGA-UHFFFAOYSA-N
DG01481	TASIN-1	1329829	"TASIN-1; 792927-06-1; 1'-((4-methoxyphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine; 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine; 1'-[(4-methoxyphenyl)sulfonyl]-4-methyl-1,4'-bipiperidine; CHEMBL4514756; SCHEMBL17007497; ZINC4744379; NSC766210; STK193520; AKOS003649063; HY-116572A; MCULE-6685404683; NSC-766210; AT-057/43468793; 1-[(4-methoxyphenyl)sulfonyl]-4'-methyl-4,1'-bipiperidine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	352.5	4	C18H28N2O3S	58.2	481	2.9	24	0	5	CC1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC	"InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)16-9-13-20(14-10-16)24(21,22)18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3"	XCBHYDPDIJQQGM-UHFFFAOYSA-N
DG01482	NAV-2729	2257249	"NAV-2729; 419547-11-8; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one; CHEMBL3716578; NAV 2729; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one; 3-(4-Chlorophenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one; NAV-2729Grassofermata; Oprea1_305395; SCHEMBL13516218; NAV2729; CHEBI:132811; AMY23749; EX-A2011; BDBM50168142; AKOS030211129; ZINC106616565; BS-16805; HY-112473; CS-0046101; D80454; 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	456.9	4	C25H17ClN4O3	90.5	871	5.3	33	1	5	C1=CC=C(C=C1)CC2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl	"InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,28H,14H2"	WHYGBVWGARJOCS-UHFFFAOYSA-N
DG01483	U0126	3006531	"U0126; 109511-58-2; U-0126; 1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene; U 0126; UNII-8027P94HLL; CHEBI:64208; (2Z,3Z)-2,3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile; 8027P94HLL; C18H16N6S2; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile; 109511-58-2 (free); 218601-62-8; FT-1069-1; (2z)-Bis{amino[(2-Aminophenyl)sulfanyl]methylidene}butanedinitrile; (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile; 1,4-Diamino-2,3-dicyano-1,4-bis[2-aminophenylthio]butadiene; (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile; UO-126; BiomolKI_000002; BiomolKI2_000012; BMK1-B2; BSPBio_001224; CHEMBL34704; GTPL5282; Succinonitrile, bis(amino(o-aminophenylthio)methylene)-; CHEBI:90693; CHEBI:91463; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-; DTXSID10892034; HMS1362N05; HMS1792N05; HMS1990N05; HMS3403N05; HMS3414K05; HMS3678K05; AMY31125; BCP01851; EX-A1754; HY-12031A; (2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanyl-methylene]butanedinitrile; (2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile; AKOS024456414; ZINC100007148; CCG-100606; LS40194; IDI1_002207; SMP2_000197; NCGC00025029-02; NCGC00025029-03; NCGC00025029-04; CS-0003351; U 126; V2422; A846574; A906530; SR-01000597365; J-002297; Q7863562; SR-01000597365-1; BRD-K18787491-001-04-5; BRD-K46419649-001-01-8; 2,3-Bis(amino((2-aminophenyl)thio)methylene)succinonitrile; Butanedinitrile,2,3-bis[amino[(2-aminophenyl)thio]methylene]-; (2Z,3Z)-2,3-Bis[amino[(2-aminophenyl)thio]methylene]butanedinitrile; Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2Z,3Z)-; 5BM"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:64208	.	.	.	380.5	5	C18H16N6S2	202	610	2	26	4	8	C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\\N)/C#N)\\C#N)/N	"InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+"	DVEXZJFMOKTQEZ-JYFOCSDGSA-N
DG01484	Amrubicin	3035016	"Amrubicin; 110267-81-7; UNII-93N13LB4Z2; C25H25NO9; 93N13LB4Z2; (+-)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione; (7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; Amrubicin [USAN:INN]; amrubicina; amrubicine; amrubicinum; Amrubicin Api; (7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione; (7S,9S)-9-acetyl-9-amino-7-{[(2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl]oxy}-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; Amrubicin (USAN/INN); Amrubicin(SM-5887); SCHEMBL9140; CHEMBL1186894; EX-A161; CHEBI:135779; HY-B0067; ZINC3780800; 3441AH; DB06263; LS41109; AC-31129; D08854; W-60403; Q4748723; W-200813; (1S,3S)-3-acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-deoxy-beta-D-erythro-pentopyranoside; 5,12-Naphthacenedione, 9-acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, (7S,9S)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:135779	DB06263	.	.	483.5	3	C25H25NO9	177	881	0.9	35	5	10	CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H](CO5)O)O)N	"InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1"	VJZITPJGSQKZMX-XDPRQOKASA-N
DG01485	K252a	3035817	"K-252a; Antibiotic K 252a; 99533-80-9; Antibiotic SF 2370; K252a; SF 2370; UNII-IV7H45AM5B; IV7H45AM5B; CHEMBL281948; CHEBI:43616; SF-2370; K 252a; methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate; methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate; (+)-Antibiotic K 252a; (+)-K-252A; 1r0p; SCHEMBL968886; BDBM6760; DTXSID40880065; K-252a, from Nocardiopsis sp.; 3f69; (+)-k252a; HY-N6732; ZINC3872984; MFCD00161522; NSC800777; SF2370; AKOS024456746; DB02152; NSC-800777; CS-0014825; Q5931064; K-252a, from Nocardiopsis sp., >=96.0% (HPLC); K-252a, from Nonomuraea longicatena, >=98% (HPLC); K-252a, Ready Made Solution, from Nonomuraea longicatena, >98%; (9S,10R,12R)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester; 9,1-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9-alpha,10-beta,12-alpha)-; 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9alpha,10beta,12alpha)-; methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:43616	.	.	.	467.5	2	C27H21N3O5	94.7	977	2.8	35	2	5	C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O	"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1"	KOZFSFOOLUUIGY-SOLYNIJKSA-N
DG01486	Tandutinib	3038522	"Tandutinib; 387867-13-2; MLN-518; MLN518; CT53518; Tandutinib (MLN518); MLN 518; CT 53518; 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide; UNII-E1IO3ICJ9A; CT-53518; N-(4-isopropoxyphenyl)-4-(6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-yl)piperazine-1-carboxamide; E1IO3ICJ9A; CHEMBL124660; CHEBI:90237; MLN-0518; MFCD09954147; NSC726292; NSC-759851; NCGC00241097-01; D06005; DSSTox_CID_28873; DSSTox_RID_83142; DSSTox_GSID_48947; 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide; CAS-387867-13-2; Tandutinib [USAN:INN]; tandutinibum; Kinome_3320; MLN518, Tandutinib; Tandutinib(MLN518); Tandutinib - MLN518; Tandutinib (USAN/INN); Tandutinib(CT 53518); MLS006010972; SCHEMBL927974; DTXSID8048947; BDBM13535; cid_3038522; AOB5045; SYN1088; TANDUTINIB (CT53518); BCPP000051; HMS3244A21; HMS3244A22; HMS3244B21; HMS3264G08; HMS3654O09; HMS3745A09; Pharmakon1600-01502277; AMY32698; BCP01370; EX-A1637; ZINC3966243; Tox21_113366; NSC759851; NSC760841; NSC800942; s1043; AKOS015902621; Tox21_113366_1; AC-1659; CCG-213017; CS-0128; DB05465; ES-0051; NSC 759851; NSC-726292; NSC-760841; NSC-800942; SB19380; NCGC00241097-02; NCGC00241097-03; NCGC00241097-07; HY-10202; SMR004702776; B1526; FT-0653217; SW218125-2; EC-000.2262; Tandutinib pound MLN518, CT53518 pound(c); AB01562955_01; 867T132; A824282; Q-201778; BRD-K89162000-001-01-5; Q27095683; MLN518;CT53518;MLN 518;CT 53518;MLN-518;CT-53518; 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-; 1227636-17-0; 4-(6-Methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-yl)-N-(4-(1-methylethoxy)phenyl)piperazine-1-carboxamide; 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide; 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide; 4-[6-Methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-[4-(1-methylethoxy)phenyl]-1-piperazinecarboxamide; 4-[7-(3-Piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide; N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide"	Discontinued in Phase 2	12	Discontinued Drug(s)	Discontinued in Phase 2	Small molecular drug	.	CHEBI:90237	DB05465	.	.	562.7	10	C31H42N6O4	92.3	783	4.6	41	1	8	CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5	"InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)"	UXXQOJXBIDBUAC-UHFFFAOYSA-N
DG01487	BPTES	3372016	"BPTES; 314045-39-1; Bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide; 3uo9; N,N'-[sulfanediylbis(Ethane-2,1-Diyl-1,3,4-Thiadiazole-5,2-Diyl)]bis(2-Phenylacetamide); CHEMBL2177757; 2,2'-(5,5'-(2,2'-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone); 2-phenyl-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide; N,N'-((thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(2-phenylacetamide); 2-phenyl-N-{5-[2-({2-[5-(2-phenylacetamido)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide; 4jkt; 04A; SCHEMBL2640644; Glutaminase Inhibitor II, BPTES; SNX1770; HMS3866K13; BCP15991; BPTES, >=95% (HPLC); EX-A2297; SNX-1770; ZINC4426660; BDBM50400050; MFCD01079848; NSC798303; s7753; AKOS027470168; CCG-269883; CS-4586; NSC-798303; NCGC00420698-04; AC-29967; AS-70948; HY-12683; A14954; US8604016, 1; Q27449834; Bis[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazole-2-yl]ethyl] sulfide; (N,N'-[thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide); N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bis[benzeneacetamide]; N,N'-[Thiobis(2,1-ethanediyl-1,3,4-thiadiazole-5,2-diyl)]bisbenzeneacetamide; 2,2-(5,5-(2,2-thiobis(ethane-2,1-diyl))bis(1,3,4-thiadiazole-5,2-diyl))bis(azanediyl)bis(1-phenylethanone)"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	524.7	12	C24H24N6O2S3	192	609	4	35	2	9	C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCSCCC3=NN=C(S3)NC(=O)CC4=CC=CC=C4	"InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)"	MDJIPXYRSZHCFS-UHFFFAOYSA-N
DG01488	N-arachidonoyl dopamine	5282105	"NADA; N-Arachidonoyl dopamine; Arachidonoyl dopamine; 199875-69-9; N-Arachidonyldopamine; N-Arachidonyl dopamine; Arachidonyl dopamine; N-arachidonoyldopamine; (5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide; CHEMBL138921; CHEBI:31231; N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine; N-[2-(3,4-Dihydroxyphenyl)ethyl]-5Z,8Z,11Z,14Z-eicosatetraenamide; NADA dopamine; 5,8,11,14-Eicosatetraenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-,(5Z,8Z,11Z,14Z)-; AA-DA; n-arachidonoyl-dopamine; SCHEMBL154051; BML3-G03; GTPL4261; N-arachidonoyl-dopamine (NADA); BDBM20462; DTXSID70415208; HMS3649B19; ZINC4102443; 1907AH; LMFA08020084; AKOS015951332; NCGC00161231-03; NCGC00161231-04; NCGC00161231-05; HY-110018; SR-01000946639; Q3869319; SR-01000946639-1; Arachidonoyl dopamine, >=98% (HPLC), ethanol solution"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31231	.	.	.	439.6	17	C28H41NO3	69.6	579	7.3	32	3	3	CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCC1=CC(=C(C=C1)O)O	"InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-"	MVVPIAAVGAWJNQ-DOFZRALJSA-N
DG01489	PD-180970	5311104	"287204-45-9; PD180970; PD-180970; PD 180970; UNII-TSO2IAD7WJ; TSO2IAD7WJ; 6-(2,6-Dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one; 6-(2,6-DICHLORO-PHENYL)-2-(4-FLUORO-3-METHYL-PHENYLAMINO)-8-METHYL-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE; 6-(2,6-Dichlorophenyl)-2-[(4-Fluoro-3-Methylphenyl)amino]-8-Methylpyrido[2,3-D]pyrimidin-7(8h)-One; 2hzi; 6-(2,6-Dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8H)-one; 6-(2,6-dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one; PD-180790; PD-0180970; PF-1515965; SCHEMBL256711; BDBM6572; CHEMBL574058; DTXSID90415508; ZINC602675; MFCD10565929; AKOS024458440; CCG-221312; 6-(2,6-dichlorophenyl)-2-(4-fluoro-3-methylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one; NCGC00379241-02; Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((4-fluoro-3-methylphenyl)amino)-8-methyl-; HY-103274; CS-0026795; FT-0765936; PD-180970, >=98% (HPLC); J-017220; Q27290258; 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one; JIN"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	429.3	3	C21H15Cl2FN4O	58.1	640	5.4	29	1	5	CC1=C(C=CC(=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl)F	"InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)"	SLCFEJAMCRLYRG-UHFFFAOYSA-N
DG01490	BI-69A11	5343381	"Bi-69a11; 1233322-09-2; (E)-3-(1H-benzo[d]imidazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)prop-2-en-1-one; CHEMBL190313; (E)-3-(3-(1H-benzo[d]imidazol-2-yl) acryloyl)-6-chloro-4-phenylquinolin-2(1H)-one; 3-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one; compound 5809365; SCHEMBL2578486; SCHEMBL2578489; BDBM15187; AOB1376; BDBM50540082; ZINC13641346; AKOS001579464; AKOS024574175; AT27462; NCGC00402356-02; AS-16644; BIM-0034205.P001; F0016-1319; F0266-2668; (E)-3-(3-(1H-benzo[d]imidazol-2-yl)acryloyl)-6-chloro-4-phenylquinolin-2(1H)-one; 3-[(E)-3-(1H-1,3-benzimidazol-2-yl)-2-propenoyl]-6-chloro-4-phenyl-2(1H)-quinolinone; (E)-3-(1H-1,3-benzimidazol-2-yl)-1-(6-chloro-2-hydroxy-4-phenyl-3-quinolyl)-2-propen-1-one; 3-[(2E)-3-(1H-1,3-benzodiazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	425.9	4	C25H16ClN3O2	74.8	773	4.7	31	2	3	C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=NC5=CC=CC=C5N4	"InChI=1S/C25H16ClN3O2/c26-16-10-11-18-17(14-16)23(15-6-2-1-3-7-15)24(25(31)29-18)21(30)12-13-22-27-19-8-4-5-9-20(19)28-22/h1-14H,(H,27,28)(H,29,31)/b13-12+"	SBOKKVUBLNZTCT-OUKQBFOZSA-N
DG01491	NSC319726	5351307	"NSC319726; 71555-25-4; NSC 319726; CID 5351307; N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide; (E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; NSC-319726; MLS002703052; AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE; CHEMBL1976486; SCHEMBL17975335; Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydrazide; EX-A2113; WCA55525; 2597AH; CCG-35689; s7149; ZINC17122727; AKOS024458479; CS-3542; AC-32867; AS-56104; HY-18634; LS-13960; A899911; BRD-K99170882-001-01-9; Azetidine-1-carbothioic acid(1-pyridin-2-yl-ethylidene)hydrazide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	234.32	2	C11H14N4S	72.6	286	1.4	16	1	3	C/C(=N\\NC(=S)N1CCC1)/C2=CC=CC=N2	"InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+"	XDHBUMNIQRLHGO-UKTHLTGXSA-N
DG01492	NSC59984	5356520	"NSC59984; 803647-40-7; NSC 59984; (E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one; NSC-59984; MLS000737358; SMR000528276; 1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one; CHEMBL1979662; SCHEMBL17071991; SCHEMBL17654893; BDBM96260; cid_5356520; EX-A776; HMS2885J20; BCP16647; MFCD29905462; s8106; ZINC59727553; NSC59984,NCI59984; CCG-267098; CS-5382; AC-32965; BS-18159; HY-19726; NSC59984, >=98% (HPLC); A13413; J-690353; (E)-1-(4-methylpiperazino)-3-(5-nitro-2-furyl)prop-2-en-1-one; (E)-1-(4-methyl-1-piperazinyl)-3-(5-nitro-2-furanyl)-2-propen-1-one; N-[1,3-Dimethyl-2-oxo-6-(1-pyrrolidinyl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	265.26	2	C12H15N3O4	82.5	372	0.4	19	0	5	CN1CCN(CC1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]	"InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/b4-2+"	QKTRIGNWBRHBFV-DUXPYHPUSA-N
DG01493	Pyridone 6	5494425	"Pyridone 6; 457081-03-7; JAK Inhibitor I; Merck-5; CMP 6; Merck 5; CMP-6; 2-tert-butyl-9-fluoro-3H-benzo[h]imidazo[4,5-f]isoquinolin-7(6H)-one; LDX3F0CCST; UNII-LDX3F0CCST; CHEMBL21156; 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one; CHEBI:87103; Compound # 2; 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE; 2-(1,1-Dimethylethyl)-9-fluoro-1,6-dihydro-7H-benz[h]imidazo[4,5-f]isoquinolin-7-one; 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE; C18H16FN3O; JAK Inhibitor; 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one; JAK I inhibitor; Jak Inhibitor 1; PDK1 inhibitor, 1; Kinome_3740; pan-JAK inhibitor P6; 2b7a; Merck-5;CMP 6; Tetracyclic Pyridone, 1; JAK Inhibitor I(Merck 5); SCHEMBL904545; GTPL5992; STO185; SCHEMBL23199918; BDBM26198; DTXSID40420526; EX-A123; SYN1054; BCPP000167; HMS3229G07; HMS3244K21; HMS3244K22; HMS3244L21; BCP01959; Janus-Associated Kinase Inhibitor I; 3809AH; MFCD17019334; ZINC12504479; AKOS026750650; AKOS030240416; AKOS032949970; BCP9000906; CCG-206761; CS-1056; DB04716; SB18936; 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one; NCGC00345828-01; NCGC00345828-07; AM806646; AS-16211; HY-14435; QC-10171; FT-0700310; Y0239; H11177; K00013; K00225; SR-03000000978-1; Q27096425; 2-(tert-butyl)-9-fluoro-3H-benzo[h]imidazo[4,5-f]isoquinolin-7(6H)-one; 2-(1,1-dimethylethyl)-9-fluoro-3,6-dihydro-7h-benz [h]-imidazo [4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-1,6-dihydro-7h-benz[h]imidazo[4,5-f]isoquinolin-7-one; 2-tert-butyl-9-fluoro-1,6-dihydro-7h-benzo[h]imidazo[4,5-f]isoquinolin-7-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0(2),.0,(1)(2)]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0,.0,]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6.0^{7,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(17),2(6),4,7(12),8,13,15-heptaen-11-one; 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one; JAK Inhibitor I; 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:87103	.	.	.	309.3	1	C18H16FN3O	57.8	529	4	23	2	3	CC(C)(C)C1=NC2=C(N1)C3=C(C=C(C=C3)F)C4=C2C=CNC4=O	"InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)"	VNDWQCSOSCCWIP-UHFFFAOYSA-N
DG01494	Tanespimycin	6505803	"Tanespimycin; 75747-14-7; 17-AAG; 17-(Allylamino)-17-demethoxygeldanamycin; 17-(Allylamino)geldanamycin; 17AAG; NSC-330507; 17-Allylaminogeldanamycin; KOS-953; Cp 127374; NSC 330507; 17-Demethoxy-17-allylamino geldanamycin; UNII-4GY0AVT3L4; CHEBI:64153; 17-AAG (Tanespimycin); BMS-722782; 4GY0AVT3L4; MFCD04973892; NCGC00163424-01; 17-N-allylamino-17-demethoxygeldanamycin; 17-demethoxy-17-(2-propenylamino)geldanamycin; [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate; Geldanamycin, 17-demethoxy-17-(2-propenylamino)-; NSC330507; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; [(3S,5S,6R,7S,8E,10R,11S,12E,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] carbamate; Tanespimycin [USAN:INN]; KOS 953; tanespimycina; tanespimycine; tanespimycinum; CCRIS 9401; 17-Demethoxy-17-allylaminogeldanamycin; C31H43N3O8; Tanespimycin (USAN); Tanespimycin (17-AAG); Geldanamycin, 17-(Allylamino)-17-demethoxy-; DSSTox_CID_26352; DSSTox_RID_81555; DSSTox_GSID_46352; BSPBio_001434; SCHEMBL2604976; DTXSID5046352; SCHEMBL13037468; SCHEMBL16226295; CHEBI:94756; CNF-101; CNF1010; HMS1361H16; HMS1791H16; HMS1989H16; HMS3402H16; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate; CNF-1010; EX-A4668; NSC-330507D; Tox21_112054; BDBM50008057; s1141; AKOS024456643; ZINC100014666; BCP9000064; CCG-208039; CS-0161; DB05134; NSC-704057; IDI1_033904; NCGC00163424-02; NCGC00163424-04; NCGC00163424-05; NCGC00163424-06; NCGC00163424-07; Allylamino-17-demethoxygeldanamycin, 17-; HY-10211; Geldanamycin, des-O-methyl-17-allylamino-; CAS-75747-14-7; CP-127374; Geldanamycin, 17-allylamino-17-demethoxy-; X7553; D06650; 747A147; Geldanamycin,17-demethoxy-17-(2-propenylamino)-; J-504153; BRD-K81473043-001-03-9; BRD-K81473043-001-08-8; 17-(Allylamino)-17-demethoxygeldanamycin, >=98% (HPLC), solid; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16- tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa- 1(21),4,6,10,18-penten-9-yl carbamate; [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(allylamino)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate; 17-AAG; ; ; 17-(Allylamino)-17-demethoxy-geldanamycin; ; ; [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-Hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:64153	DB05134	.	.	585.7	7	C31H43N3O8	166	1210	2.6	42	4	9	C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\\C=C(\\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\\C)C)O)OC	"InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1"	AYUNIORJHRXIBJ-TXHRRWQRSA-N
DG01495	SU5614	6536806	"SU-5614; 1055412-47-9; su5614; (Z)-5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; CHEMBL2062155; CHEBI:87159; 186611-56-3; SU 5614; (Z)-SU5614; AC1NS4RE; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one; (3Z)-5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-2H-indol-2-one; MFCD08443928; 5-Chloro-3-[(3,5-dimethylpyrrol-2-yl)methylene]-2-indolinone; 5-CHLORO-3-(3,5-DIMETHYL-1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE; EX-A821; ZINC3875026; BDBM50415432; HY-18952A; AKOS030527565; CID:6536806; NCGC00480782-01; AS-70968; DS-019384; SU5614, >=98% (HPLC); CS-0029269; A895990; J-690017; Q27159416; 5-chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)indolin-2-one; 5-chloro-3-(3,5-dimethyl-1h-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; (3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one; 3-Chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4- (1-methylethoxy)-benzamide"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:87159	.	.	.	272.73	1	C15H13ClN2O	44.9	409	3.1	19	2	1	CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)Cl)NC2=O)C	"InChI=1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-"	XLBQNZICMYZIQT-GHXNOFRVSA-N
DG01496	CI-1040	6918454	"212631-79-3; CI-1040; PD184352; PD 184352; PD-184352; 2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; CI 1040; PD184352 (CI-1040); CI1040; 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; 2-((2-Chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide; PD-18435; UNII-R3K9Y00J04; C.I. 1040; CHEMBL105442; R3K9Y00J04; MFCD02683961; NCGC00189074-01; PD 184352CI-1040; CI-1040 (PD184352); DSSTox_CID_28871; DSSTox_RID_83140; DSSTox_GSID_48945; C17H14ClF2IN2O2; 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-(CYCLOPROPYLMETHOXY)-3,4-DIFLUOROBENZAMIDE; CAS-212631-79-3; PD 184,352; MLS006010176; SCHEMBL570330; PD 184352, Free Base; GTPL5676; QCR-25; DTXSID8048945; CHEBI:91353; SYN1031; HMS3244G05; HMS3244G06; HMS3244H05; HMS3265I07; HMS3265I08; HMS3265J07; HMS3265J08; HMS3654I05; AOB87195; BCP01791; EX-A2202; ZINC1489691; Tox21_113363; BDBM50132260; NSC765695; s1020; AKOS022184333; Tox21_113363_1; CCG-269529; CS-0058; DB12429; NSC-765695; SB19417; NCGC00189074-03; NCGC00189074-05; AC-25483; AS-19373; HY-50295; SMR004701284; CI-1040,PD184352; DB-014962; CI-1040; PD184352; FT-0673543; SW219604-1; X7396; EC-000.2331; PD 184352(CI-1040); PD184352 - CI-1040; A25744; PD184352, >=98% (HPLC); 631C793; US8575391, 341; J-505572; BRD-K05104363-001-01-9; Q27076005; 2-(2-Chloro4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide; 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide; 2-[(2-Chloro-4-iodophenyl)amino]-N-cyclopropylmethoxy)-3,4-difluorobenzamide; Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro-; CI-1040; ; ; 2-(2-Chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91353	DB12429	.	.	478.7	6	C17H14ClF2IN2O2	50.4	472	5.6	25	2	5	C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl	"InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)"	GFMMXOIFOQCCGU-UHFFFAOYSA-N
DG01497	Rigosertib	6918736	"Rigosertib; 592542-59-1; UNII-67DOW7F9GL; ON 01910; ON-01910; 67DOW7F9GL; 2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid; (E)-2-((2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)phenyl)amino)acetic acid; N-[2-Methoxy-5-({[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine; ON-01910.Na; Rigosertib [USAN:INN]; rigosertibum; 6FS; Rigosertib (USAN); Estybon (proposed trade name); SCHEMBL498623; SCHEMBL498624; GTPL7833; CHEMBL1241855; ON01910.Na; DTXSID30207984; 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]anilino]acetic acid; CHEBI:124939; CHEBI:145417; BCP08296; EX-A4346; ZINC3942646; 4006AH; BDBM50060917; AKOS015966442; DB12146; N-[2-Methoxy-5-[[[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]glycine; (E)-ON 01910; 2-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic Acid; AC-32479; AS-35249; ON-01910ON-01910; D10154; ON-01910;ON01910;ON 01910; BRD-K55187425-236-01-1; Q21099552; (e)-2-(5-((2,4,6-trimethoxystyrylsulfonyl)methyl)-2-methoxyphenylamino)acetic acid; [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid; [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid; N-(2-Methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl) phenyl)glycine; N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine; Glycine, N-(2-methoxy-5-((((1E)-2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl) methyl)phenyl)-; Glycine, N-[2-Methoxy-5-[[[(1E)-2-(2,4,6-triMethoxyphenyl)ethenyl]sulfonyl]Methyl]phenyl]-; ON-01910; ; ; 2-[2-Methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetic acid"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:124939	DB12146	.	.	451.5	11	C21H25NO8S	129	678	2.5	31	2	9	COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)NCC(=O)O	"InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+"	OWBFCJROIKNMGD-BQYQJAHWSA-N
DG01498	SU11274	9549297	"SU11274; 658084-23-2; Met Kinase Inhibitor; SU-11274; SU 11274; PKI-SU11274; SU-MI-2; CHEMBL261641; (3Z)-N-(3-Chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; MFCD08276928; (Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; (3Z)-N-(3-Chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; (3Z)-N-(3-Chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-N-methyl-2-oxo-1H-indole-5-sulfonamide; (3z)-N-(3-Chlorophenyl)-3-({3,5-Dimethyl-4-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-2-Yl}methylene)-N-Methyl-2-Oxoindoline-5-Sulfonamide; (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide; (Z)-N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide; C28H30ClN5O4S; SCHEMBL93711; SCHEMBL93713; MLS006010961; GTPL5057; AOB6383; DTXSID20429552; EX-A183; CHEBI:190974; BCPP000061; HMS3229G21; K00593a; BDBM50341636; NSC747693; s1080; ZINC16052811; AKOS015994564; CCG-206768; ES-0032; EX-5962; NSC-747693; QC-2155; NCGC00165902-01; NCGC00165902-04; AC-28396; SMR004702765; SU-011274; SU11274 (PKI-SU11274); SU 11274, >=98% (HPLC), powder; X7471; EC-000.2357; A15738; Met Kinase Inhibitor - CAS 658084-23-2; J-522999; BRD-K02965346-001-01-8; BRD-K02965346-001-07-5; Q27088888; (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulonamide; 1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-; N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(1-methylpiperazine-4-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; N-(3-chlorophenyl)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-N-methyl-2-oxoindoline-5-sulfonamide; N-(3-Chlorophenyl)-n-methyl-3-[[3,5-dmethyl-4-[(4-methylpperazn-1-yl)carbonyl]-1h-pyrrol-2-yl]methylene]-2-oxo-2,3-dhydro-1h-ndole-5 -sulfonamde"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	568.1	5	C28H30ClN5O4S	114	1070	3.1	39	2	6	CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O	"InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-"	FPYJSJDOHRDAMT-KQWNVCNZSA-N
DG01499	AV-412	9806229	"451492-95-8; AV-412 free base; AV-412; AV-412 (free base); UNII-41OXH4FE7B; MP-412; AV412; N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide; N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide; 41OXH4FE7B; CHEMBL2138625; AV-412(MP-412); C27H28ClFN6O; 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-; N-(4-(3-chloro-4-fluorophenylamino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl)quinazolin-6-yl)acrylamide; 2-Propenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-; 2-propenamide,n-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)-; 2-Propenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-; MP-412 free base; SCHEMBL1818495; AV-412 free base;MP-412; DTXSID10196403; EX-A755; SYN1012; BCPP000375; HMS3244M15; HMS3244M16; HMS3244N15; BCP01955; 3459AH; BDBM50468245; HY-10346A; MFCD16038939; NSC799340; ZINC22453472; AKOS027251058; BCP9000342; NSC-799340; NCGC00263195-01; NCGC00263195-04; AS-16187; B3236; FT-0700308; A872418; J-523023; Q27258451; N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-2-propenamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB06021	.	.	507	7	C27H28ClFN6O	73.4	850	4.5	36	2	7	CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C	"InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)"	ZAJXXUDARPGGOC-UHFFFAOYSA-N
DG01500	AS602868	9820526	"219773-55-4; SPC-839; CHEMBL129857; SPC 839; UNII-Y1FZ8P93E0; Y1FZ8P93E0; AS-602868; 1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione; 1-(5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-[[5-methoxy-2-(2-thienyl)-4-quinazolinyl]amino]-3-methyl-; AS602868; SCHEMBL7859927; DTXSID00431335; ZINC1489583; BDBM50135482; NCGC00161703-01; NCGC00161703-02; NCGC00161703-03; A4715; CU-00000000266-1; 1-((5-Methoxy-2-(2-thienyl)-4-quinazolinyl)amino)-3-methyl-1H-pyrrole-2,5-dione; 1-((5-Methoxy-2-(thiophen-2-yl)quinazolin-4-yl)amino)-3-methyl-1H-pyrrole-2,5-dione; 1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione; 1H-Pyrrole-2,5-dione, 1-((5-methoxy-2-(2-thienyl)-4-quinazolinyl)amino)-3-methyl-"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	.	.	.	.	366.4	4	C18H14N4O3S	113	613	3	26	1	7	CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4	"InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)"	GZGLPBNOIFLLRE-UHFFFAOYSA-N
DG01501	Tofacitinib	9926791	"Tofacitinib; Tasocitinib; 477600-75-2; 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; CP-690550; CP 690550; 1259404-17-5; rac-Tofacitinib; CP-690,550; UNII-87LA6FU830; Tofacitinib (CP-690550,Tasocitinib); 3-((3R,4R)-rel-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; racemic-tofacitinib; 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile; CP690550; CHEMBL221959; CHEBI:71200; 87LA6FU830; 477600-75-2 (free base); MFCD11035919; 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; 3-[(3R*,4R*)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile; 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; Tofacitinib [USAN:INN]; C16H20N6O; tofacitinibum; 3eyg; 3fup; 3lxk; 4oti; MI1; Tofacitinib (USAN); Cp-690 free base; 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-, (3R,4R)-; SCHEMBL322753; Tofacitinib (CP-690550); GTPL5677; QCR-53; HSDB 8311; AMY3992; DTXSID90197271; EX-A205; BCPP000274; CP-690550 FREE BASE; AOB87470; ZINC3818808; CP-690,550 FREE BASE; BDBM50193995; CP-690; NSC782351; NSC800953; s2789; AKOS005145814; AKOS005258733; AC-8193; BCP9000550; CA10005; CCG-264998; CS-0050; DB08895; GS-6106; NSC-782351; NSC-800953; NCGC00229511-02; NCGC00229511-04; NCGC00229511-10; NCGC00244463-01; Tofacitinib (CP-690550, Tasocitinib); HY-40354; CP690,550; CP-690-550; W6440; CP- 690 550; D09970; AB01565786_02; 600M752; AR-270/43507983; J-524314; Q3530324; BRD-K31283835-001-01-9; BRD-K31283835-048-04-4; 3-((3R,4R)-4-Methyl(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yi)Amino)Piperidin-1-Yl-3-Oxopropaneni; (3R,4R)-3-{4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidine propanenitrile; 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-oxo-propanenitrile; 3-{(3R,4R)-4-methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]piperidin-1-yl}-3-oxo-propionitrile; 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile; 3-{4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile; 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)-; Tofacitinib;3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:71200	DB08895	.	.	312.37	3	C16H20N6O	88.9	488	1.5	23	1	5	C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N	"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1"	UJLAWZDWDVHWOW-YPMHNXCESA-N
DG01502	Cediranib	9933475	"Cediranib; 288383-20-0; Recentin; AZD2171; Cedirannib; Cediranib (AZD2171); AZD 2171; AZD-2171; 4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; Cediranib free base; 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline; Cediranib (AZD217); UNII-NQU9IPY4K9; NQU9IPY4K9; ZD-2171; AZD-2171 maleate; 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline; 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline; CHEMBL491473; 288383-20-0 (free base); NSC-732208; 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; C25H27FN4O3; Cediranib (USAN/INN); Cediranib [USAN:INN:BAN]; 4-(4-fluoro-2-methylindol-5-yloxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline; Cediranib,AZD2171; Kinome_3318; Cediranib dihydrochloride; AZD2171, Cediranib; Cediranib - AZD2171; SCHEMBL63147; MLS006010063; GTPL5664; QCR-93; CHEBI:94782; AOB1949; DTXSID10183035; BCPP000295; HMS3654G05; HMS3674G17; HMS3744O21; AMY16021; BCP01378; EX-A2039; ZINC3948085; BDBM50331096; MFCD09954115; NSC755606; NSC800069; s1017; AKOS005145767; BCP9000500; CCG-264679; CS-0119; DB04849; ES-0052; NSC-755606; NSC-800069; SB16536; ZD 2171; NCGC00263097-01; NCGC00263097-09; AC-25033; HY-10205; Quinazoline,4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-; SMR004701223; FT-0751000; SW219261-1; X2636; EC-000.2328; A24280; D08881; Q-101399; Q5057052; BRD-K86930074-001-01-9; 4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazoline; AV3; Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:94782	DB04849	DR1886	.	450.5	8	C25H27FN4O3	72.5	625	4.9	33	1	7	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5	"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3"	XXJWYDDUDKYVKI-UHFFFAOYSA-N
DG01503	TAE226	9934347	"761437-28-9; NVP-TAE 226; NVP-TAE226; TAE226; 2-((5-Chloro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide; TAE226 (NVP-TAE226); 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide; CHEMBL458997; TAE-226; CTx0152960; 1042432-58-5; 2-((5-CHLORO-2-((2-METHOXY-4-MORPHOLINOPHENYL)-AMINO)PYRIMIDIN-4-YL)AMINO)-N-METHYLBENZAMIDE; CTx-0152960;CTx 0152960; C23H25ClN6O3; 2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide; 2jkk; 2-[[5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide; BI9; Kinome_1212; NVP TAE226; NVPTAE 226; MLS006011059; SCHEMBL375524; GTPL9382; CHEBI:91452; DTXSID90433025; EX-A716; TAE 226; HMS3656L12; HMS3672E03; HMS3747C09; AOB87333; BCP06482; 1836AC; BDBM50334594; MFCD12031516; NSC787252; s2820; ZINC20148986; AKOS016004135; CCG-269438; CS-0594; DB07460; NSC-787252; SB19397; 2-({5-Chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-N-methylbenzamide; NCGC00346931-01; NCGC00346931-05; 2-[5-chloro-2-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide; AC-27408; AS-56281; HY-13203; SMR004702851; FT-0700360; SW219314-1; NVP-TAE 226,CAS:761437-28-9; A865545; J-690348; Q27096680; 2-({5-Chloro-2-[2-methoxy-4-(4-morpholinyl)anilino]-4-pyrimidinyl}amino)-N-methylbenzamide; 2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)-N-methylbenzamide; 2-[5-chloro-2-[2-methoxy-4-(4-morpholinyl)phenylamino]pyrimidin-4-ylamino]-N-methylbenzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	468.9	7	C23H25ClN6O3	101	625	4.1	33	3	8	CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC	"InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)"	UYJNQQDJUOUFQJ-UHFFFAOYSA-N
DG01504	CP-31398	9950868	"UNII-IN3WH41H3A; 259199-65-0; CP-31398; IN3WH41H3A; N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine; 1,3-Propanediamine, N3-[2-[2-(4-methoxyphenyl)ethenyl]-4-quinazolinyl]-N1,N1-dimethyl-; CP-31,398; CHEMBL186928; SCHEMBL13158851; SCHEMBL17890250; BDBM389561; ZINC3933040; US9951029, 12; Q27280804; N''-{2-[(E)-2-(4- methoxyphenyl)vinyl]quinazolin-4- yl}-N,N-dimethylpropane-1,3- diamine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	362.5	8	C22H26N4O	50.3	448	4.5	27	1	5	CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC	"InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+"	NIHSNFSFDGHHRG-SDNWHVSQSA-N
DG01505	Selumetinib	10127622	"Selumetinib; 606143-52-6; AZD6244; AZD 6244; ARRY-142886; 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE; AZD-6244; Selumetinib (AZD6244); ARRY 142886; AZD6244 (Selumetinib); ARRY-886; UNII-6UH91I579U; 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide; 5-(4-broMo-2-chlorophenylaMino)-4-fluoro-N-(2-hydroxyethoxy)-1-Methyl-1H-benzo[d]iMidazole-6-carboxaMide; CHEMBL1614701; CHEBI:90227; 6UH91I579U; NCGC00189073-01; NCGC00189073-02; C17H15BrClFN4O3; 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; DSSTox_CID_28870; DSSTox_RID_83139; DSSTox_GSID_48944; 1H-Benzimidazole-6-carboxamide, 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-; 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; AZD 6244;5-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide;6-(4-bromo-2-chlorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide; CAS-606143-52-6; ARRY142886; Selumetinib [USAN:INN]; selumetinibum; Koselugo; 1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-; 3EW; Selumetinib (USAN/INN); AZD6244 - Selumetinib; AZD 6244 (Selumetinib); SCHEMBL155456; GTPL5665; QCR-91; Selumetinib, ARRY-142886; DTXSID3048944; EX-A020; SYN1016; BCPP000367; HMS3244G03; HMS3244G04; HMS3244H03; HMS3265K01; HMS3265K02; HMS3265L01; HMS3265L02; HMS3654O03; NSC 741O78; AOB87732; BCP01739; Tox21_113362; BDBM50355497; MFCD11977472; NSC741078; NSC800882; s1008; ZINC31773258; AKOS015904255; Tox21_113362_1; BCP9000354; CCG-264774; CS-0059; DB11689; EX-8621; NSC-741078; NSC-800882; SB14707; NCGC00189073-07; AC-25059; AM808016; AZD6244,Selumetinib, ARRY-142886; BC004624; HY-50706; Selumetinib (ARRY142886/AZD6244); AZD6244 (Selumetinib,ARRY-142886); FT-0674552; SW202561-3; X2640; D09666; 143A526; Q-101405; Q7448840; BRD-K57080016-001-01-9; 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide; 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy -ethoxy)-amide; 6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide; 6-(4-bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxy-ethoxy)-amide; 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethoxy)-amide; 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid(2-hydroxyethoxy)-amide; 6-(4-bromo-2chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxy-ethoxy)-amide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90227	DB11689	.	.	457.7	6	C17H15BrClFN4O3	88.4	523	3.6	27	3	6	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO	"InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)"	CYOHGALHFOKKQC-UHFFFAOYSA-N
DG01506	E6201	10172827	"E6201; UNII-CZP9GB25HO; E-6201; CZP9GB25HO; E 6201; 603987-35-5; ER-806201; (3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,9,10-tetrahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione; (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; GTPL7836; SCHEMBL6983345; CHEMBL1097999; BDBM50515043; ZINC34374629; DB11687; (3S,4R,5Z,8S,9S,11E)-14-(Ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione; HY-15496; CS-0006796; J-504641; Q27077143; (4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; (4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione; 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-; 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E) -"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	.	.	.	389.4	2	C21H27NO6	116	604	3.3	28	4	7	CCNC1=CC\\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C\\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C	"InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1"	MWUFVYLAWAXDHQ-HMNLTAHHSA-N
DG01507	Binimetinib	10288191	"Binimetinib; 606143-89-9; MEK162; ARRY-162; ARRY-438162; MEK-162; Mektovi; 5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide; ARRY 162; Binimetinib (MEK-162); ARRY 438162; UNII-181R97MR71; MEK162 (ARRY-162, ARRY-438162); NVP-MEK162; MFCD22124525; Binimetinib (MEK162, ARRY-162, ARRY-438162); 181R97MR71; 6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide; 5-((4-bromo-2-fluorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzo[d]imidazole-6-carboxamide.; 5-(4-Bromo-2-fluoroanilino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide; Binimetinib [USAN:INN]; binimetinibum; Mektovi (TN); ARRY-162; ARRY-438162; MEK 162; ARRY 162; ARRY 438162; Binimetinib; Mek162; Mek162, Binimetinib; MEK162(Binimetinib); Binimetinib (MEK162); Binimetinib (JAN/USAN); MLS006011180; C17H15BrF2N4O3; SCHEMBL570088; GTPL7921; CHEMBL3187723; MEK162 (Arry-162); AMY9056; AOB2072; DTXSID70209422; QCR-138; ARRY-162,MEK-162; CHEBI:145371; BDBM520649; HMS3652J14; HMS3747G09; BCP06780; EX-A1024; NSC764042; NSC788187; NSC799361; s7007; ZINC38460704; AKOS026750517; CCG-269133; CS-0627; DB11967; NSC-764042; NSC-788187; NSC-799361; SB16501; NCGC00345804-01; NCGC00345804-10; 1073666-70-2; 5-[(4-Bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methylbenzimidazole-6-carboxamide; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-3H-benzo[d]imidazole-5-carboxamide; AC-29023; AS-16706; DA-35030; HY-15202; SMR004702949; SY284756; cas:606143-89-9;MEK162; FT-0697088; SW219910-1; Y1468; D10604; Binimetinib;MEK-162; ARRY-162;ARRY-438162; J-516581; Q19903515; US11147816, Binimetinib (ARRY-162, ARRY-438162); 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide; 5-[(4-Bromo-2-Fluorophenyl)Amino]-4-Fluoro-N-(2-Hydroxyethoxy)-1-Methyl-1H-Benzimidazole-6-Carboxami; 6-(4-bromo-2-fluorophenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-hydroxyethyoxy)-amide; 6-[(4-bromo-2-fluorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide; N-(2-hydroxyethoxy)-4-fluoro-5-(2-fluoro-4-bromophenylamino)-1-methyl-1H-benzoimidazole-6-carboxamide; QO7"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145371	DB11967	DR0214	DR01336	441.2	6	C17H15BrF2N4O3	88.4	521	3.1	27	3	7	CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO	"InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)"	ACWZRVQXLIRSDF-UHFFFAOYSA-N
DG01508	Sotrastaurin	10296883	"Sotrastaurin; 425637-18-9; AEB071; Sotrastaurin (AEB071); AEB-071; 3-(1H-Indol-3-yl)-4-(2-(4-methylpiperazin-1-yl)quinazolin-4-yl)-1H-pyrrole-2,5-dione; UNII-7I279E1NZ8; 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione; NVP-AEB071; CHEBI:90531; 7I279E1NZ8; AEB 071; 3-(1h-Indol-3-Yl)-4-[2-(4-Methylpiperazin-1-Yl)quinazolin-4-Yl]-1h-Pyrrole-2,5-Dione; Sotrastaurin [USAN:INN]; sotrastaurina; sotrastaurine; sotrastaurinum; Kinome_2717; Sotrastaurin (USAN/INN); NVP-AEB-071; CHEMBL565612; GTPL7946; SCHEMBL2500835; BDBM33971; DTXSID70915192; HMS3656D10; HMS3673M05; HMS3744G03; AMY10736; AOB87472; BCP07456; EX-A2802; ZINC3973984; NSC766819; NSC800935; s2791; CCG-264999; CS-0090; DB12369; NSC-766819; NSC-800935; SB16638; NCGC00238621-01; NCGC00238621-09; AC-32050; AS-56373; HY-10343; SW220235-1; Y6229; D09671; L10095; A857807; Q26331952; 1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(2-(4-methyl-1-piperazinyl)-4-quinazolinyl)-; 3-(1H-indol-3-yl)-4-[2-(4-methyl-piperazin-1-yl)-quinazolin-4-yl]-pyrrole-2,5-dione; 1058706-31-2; 5-Hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one; 949935-06-2; LW4"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB12369	.	.	438.5	3	C25H22N6O2	94.2	822	2.6	33	2	6	CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65	"InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)"	OAVGBZOFDPFGPJ-UHFFFAOYSA-N
DG01509	AEE-788	10297043	"497839-62-0; AEE788; AEE-788; AEE 788; NVP-AEE788; (R)-6-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AEE788 (NVP-AEE788); UNII-F9JLR95I3I; GNF-Pf-5343; F9JLR95I3I; NVP-AEE-788; 6-{4-[(4-Ethylpiperazin-1-Yl)methyl]phenyl}-N-[(1r)-1-Phenylethyl]-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine; 6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; C27H32N6; (R)-6-(4-((4-ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.; 7H-Pyrrolo[2,3-d]pyrimidin-4-amine,6-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-; 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 7h-pyrrolo[2,3-d]pyrimidin-4-amine,6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-n-((1r)-1-phenylethyl)-; AEE; MLS006011277; SCHEMBL613756; CHEMBL587723; GTPL7643; BDBM26105; CHEBI:40629; AEE788; NVP-AEE788; BCPP000427; EX-A2259; MFCD11100351; NSC765949; NSC799325; s1486; ZINC22453679; AEE-788 (NVP-AEE788); AKOS016011091; BCP9000241; CCG-264897; CS-1452; DB12558; NSC-765949; NSC-799325; QC-8215; NCGC00263149-01; 7H-pyrrolo(2,3-d)pyrimidin-4-amine, 6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-; AC-32829; AEE788, >=98% (HPLC); AS-55853; HY-10045; SMR004703027; SW219869-1; X7492; J-518187; Q4651286; UNII-F9JLR95I3I component OONFNUWBHFSNBT-HXUWFJFHSA-N; [6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-((r)-1-phenylethyl)amine; 1H-Pyrrolo(2,3-d)pyrimidin-4-amine, 6-(4-((4-ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-; 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine; 6-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine; NVP-AEE788; ; ; 6-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12558	.	.	440.6	7	C27H32N6	60.1	579	4.6	33	2	5	CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4N[C@H](C)C5=CC=CC=C5	"InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1"	OONFNUWBHFSNBT-HXUWFJFHSA-N
DG01510	Napabucasin	10331844	"Napabucasin; 83280-65-3; 2-Acetylfuro-1,4-naphthoquinone; BBI608; 2-acetylnaphtho[2,3-b]furan-4,9-dione; 2-acetylbenzo[f][1]benzofuran-4,9-dione; BBI-608; UNII-Z1HHM49K7O; Napabucasin (BBI608); 2-Acetylfuranonaphthoquinone; Z1HHM49K7O; BBI 608; 2-Acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione; 2-Acetylnaphtho(2,3-b)furan-4,9-dione; Napabucasin [USAN:INN]; FNQ; Napabucasin; BBI608; CHEMBL64130; Napabucasin (JAN/USAN/INN); SCHEMBL1883845; GTPL11358; AMY27812; BCP07628; EX-A1314; BDBM50366597; MFCD28155270; NSC788900; s7977; ZINC13306865; AKOS027470201; CCG-266871; CS-1747; DB12155; NSC-788900; 2-acetyl naphtho2,3-bfuran-4,9-dione; AC-32935; AS-60519; HY-13919; 2-Acetyl-naphtho[2,3-b]furan-4,9-dione; A13474; D10717; F17379; Q27294876"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12155	.	.	240.21	1	C14H8O4	64.4	414	2.3	18	0	4	CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O	"InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3"	DPHUWDIXHNQOSY-UHFFFAOYSA-N
DG01511	Crenolanib	10366136	"Crenolanib; 670220-88-9; Crenolanib (CP-868596); CP-868596; ARO-002; UNII-LQF7I567TQ; CP-868,596; Crenolanib [USAN]; CP 868596; ARO 002; 1-(2-(5-((3-Methyloxetan-3-yl)methoxy)-1H-benzo-[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine; LQF7I567TQ; CP868569; 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine; CP-868596 (Crenolanib); Crenolanib (USAN); MFCD21609260; 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine; 1-[2-[5-[(3-Methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine; 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine.; 1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine; CP868596; Crenolanib [USAN:INN]; crenolanibum; 6T2; CP-868569; Crenolanib,CP-868596; [1-[2-[5-(3-Methyloxetan-3-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]amine; MLS006010956; Crenolanib - CP-868569; GTPL7882; SCHEMBL2730601; CHEMBL2105728; DTXSID50985873; EX-A215; CHEBI:145365; BDBM185149; HMS3656F19; AOB87312; BCP02384; ZINC3820043; NSC763526; NSC800079; s2730; AKOS026750597; BCP9000551; CCG-264988; CS-0566; DB11832; NSC-763526; NSC-800079; SB16603; NCGC00346658-01; NCGC00346658-09; 1-(2-(5-((3-methyloxetan-3-yl)methoxy)-1H-benzo[d]imidazol-1-yl)quinolin-8-yl)piperidin-4-amine; AC-32071; AS-57698; HY-13223; SMR004702760; SY237889; FT-0665221; SW218293-2; X7517; D10102; J-502712; Q5184160; CP-868596;CP 868596;CP868596;ARO 002; 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1H-benzimidazol-1-yl]-8-quinolinyl]-4-piperidinamine; 1-{2-[5-(3-Methyl-oxetan-3-ylmethoxy)-benzoimidazol-1-yl]-quinolin-8-yl}-piperidin-4-ylamine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:145365	DB11832	.	.	443.5	5	C26H29N5O2	78.4	667	3.7	33	1	6	CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4	"InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3"	DYNHJHQFHQTFTP-UHFFFAOYSA-N
DG01512	Spliceostatin A	10673568	"Spliceostatin A; [(Z,2S)-4-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-methoxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate; 391611-36-2; CHEMBL1221942; SCHEMBL18134895; BP-28004; Q59780090; (2Z,4S)-N-[(2R,3R,5S,6S)-2,5-Dimethyl-6-[(2E)-3-methyl-5-[(3R,4R,5R,7S)-4-hydroxy-7-methoxy-7-methyl-1,6-dioxaspiro[2.5]octane-5-yl]-2,4-pentadienyl]tetrahydro-2H-pyran-3-yl]-4-acetoxy-2-penteneamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	521.6	10	C28H43NO8	116	916	2.6	37	2	8	C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@@](O2)(C)OC)CO3)O)C)NC(=O)/C=C\\[C@H](C)OC(=O)C	"InChI=1S/C28H43NO8/c1-17(9-12-24-26(32)28(16-34-28)15-27(6,33-7)37-24)8-11-23-18(2)14-22(20(4)36-23)29-25(31)13-10-19(3)35-21(5)30/h8-10,12-13,18-20,22-24,26,32H,11,14-16H2,1-7H3,(H,29,31)/b12-9+,13-10-,17-8+/t18-,19-,20+,22+,23-,24+,26+,27-,28+/m0/s1"	XKSGIJNRMWHQIQ-CGPJBNNXSA-N
DG01513	Regorafenib	11167602	"Regorafenib; 755037-03-7; BAY 73-4506; Stivarga; 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide; Regorafenibum; Regorafenib (BAY 73-4506); BAY73-4506; UNII-24T2A1DOYB; 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; BAY-73-4506; Regorafenib-13C-d3; 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; 24T2A1DOYB; CHEMBL1946170; CHEBI:68647; Stivarga (TN); 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl)amino)-3-fluorophenoxy)-n-methylpyridine-2-carboxamide; Regorafenib [USAN:INN]; Fluoro-Sorafenib; 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide; Regorafenib (USAN/INN); RegorafenibBAY73-4506; MLS006010303; C21H15ClF4N4O3; Regorafenib crystalline form I; SCHEMBL432230; Regorafenib,BAY 73-4506; GTPL5891; QCR-85; Bay-734506; DTXSID60226441; EX-A058; Regorafenib - BAY 73-4506; SYN1169; BCPP000352; HMS3654K16; HMS3672E15; AOB87754; BCP02105; BKD17855; ZINC6745272; BDBM50363397; MFCD16038047; NSC763932; NSC800865; s1178; AKOS015951107; AM81251; BAY 734506; BCP9000384; CCG-269571; CS-0170; DB08896; NSC-763932; NSC-800865; SB16819; NCGC00263138-01; NCGC00263138-13; NCGC00263138-19; 2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-; AC-25075; AC-31116; AS-16304; HY-10331; SMR004701370; FT-0674338; R0142; SW218097-2; cas:835621-07-3;Regorafenib hydrochloride; Regorafenib (BAY73-4506,Fluoro-Sorafenib); A25020; D10138; AB01565826_02; SR-01000941571; Q3891664; SR-01000941571-1; BRD-K16730910-001-02-4; 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-; 4-[4-({[4-Chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide; 4{4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide; 835621-08-4; Regorafenib;1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-(2-(methylcarbamoyl)pyridin-4-yloxy)phenyl)urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68647	DB08896	DR1401	DR00136	482.8	5	C21H15ClF4N4O3	92.4	686	4.2	33	3	8	CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F	"InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)"	FNHKPVJBJVTLMP-UHFFFAOYSA-N
DG01514	DEL-22379	11224574	"DEL-22379; 181223-80-3; DEL22379; CHEBI:90905; AMY16577; EX-A1739; AKOS027470285; ZINC137055150; CCG-269173; CS-5355; (Z)-N-(3-((5-methoxy-1H-indol-3-yl)methylene)-2-oxoindolin-5-yl)-3-(piperidin-1-yl)propanamide; CID 11224574; HY-18932; Q21044462; 181222-54-8; N-[2,3-Dihydro-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-1H-indol-5-yl]-1-piperidinepropanamide; N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propanamide; N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	444.5	6	C26H28N4O3	86.5	750	3	33	3	4	COC1=CC2=C(C=C1)NC=C2/C=C\\3/C4=C(C=CC(=C4)NC(=O)CCN5CCCCC5)NC3=O	"InChI=1S/C26H28N4O3/c1-33-19-6-8-23-20(15-19)17(16-27-23)13-22-21-14-18(5-7-24(21)29-26(22)32)28-25(31)9-12-30-10-3-2-4-11-30/h5-8,13-16,27H,2-4,9-12H2,1H3,(H,28,31)(H,29,32)/b22-13-"	INQUULPXCZAKMS-XKZIYDEJSA-N
DG01515	Brivanib	11234052	"Brivanib; 649735-46-6; BMS-540215; Brivanib (BMS-540215); BMS 540215; UNII-DDU33B674I; BMS540215; Brivanib [USAN]; CHEMBL377300; DDU33B674I; (2R)-1-[4-[(4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY]-5-METHYL-PYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL]OXYPROPAN-2-OL; Brivanib (USAN); (R)-1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-6-YL)OXY)PROPAN-2-OL; (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol; (R)-1-(4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yloxy)propan-2-ol; (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol; (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol; Brivanib,BMS-540215; Brivanib (BMS540215); MLS006011288; Brivanib - BMS-540215; GTPL5671; QCR-57; SCHEMBL1227589; CHEBI:94562; DTXSID60215294; EX-A011; SYN1134; CHEBI:167686; BCPP000317; 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-2-propanol; BDBM50184807; MFCD13194684; NSC799368; s1084; ZINC13684256; AKOS015920386; AKOS015949459; BMS 540215;Unii-ddu33B674i; AC-5252; BCP9000449; CCG-268296; CS-0148; DB11958; NSC-799368; NCGC00263160-01; AS-16273; HY-10337; SMR004703038; SW219896-1; X2635; EC-000.2327; A24076; D09589; 735B466; J-500907; BRD-K28428262-001-01-7; Q27075503; (2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol; (r)-1-(4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-5- methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan- 2-ol; 2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:94562	DB11958	.	.	370.4	5	C19H19FN4O3	84.7	515	3	27	2	6	CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C	"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1"	WCWUXEGQKLTGDX-LLVKDONJSA-N
DG01516	Sapitinib	11488320	Sapitinib; 848942-61-0; AZD8931; AZD-8931; AZD8931 (Sapitinib); 2-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamide; Sapitinib(AZD8931); Sapitinib (AZD-8931); UNII-3499328002; CHEMBL2408045; 2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide; 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide; Sapitinib [INN]; 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-((1-(n-methylcarbamoylmethyl)piperidin-4-yl)oxy)quinazoline; 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-[[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy]quinazoline; Sapitinib [WHO-DD]; sapitinibum; AZD 8931; AZD-8931(Sapitinib); Sapitinib (AZD8931); MLS006011283; SCHEMBL202358; GTPL7717; DTXSID50233942; EX-A036; CHEBI:132986; BCPP000365; HMS3655J08; AOB87778; BCP02835; BDBM50437353; MFCD18385011; NSC758005; NSC800876; s2192; ZINC34587071; AKOS025404911; BCP9000357; CCG-264744; CS-3951; DB12183; NSC-758005; NSC-800876; QC-7257; SB16597; NCGC00346573-01; NCGC00346573-05; AC-32815; AS-17066; HY-13050; SMR004703033; FT-0700374; SW219260-1; J-513371; Q27088689; 2-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)-N-methylacetamide; 2-(4-{[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy}piperidin-1-yl)-N-methylacetamide; 2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:132986	DB12183	.	.	473.9	7	C23H25ClFN5O3	88.6	641	4	33	2	8	CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC	"InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)"	DFJSJLGUIXFDJP-UHFFFAOYSA-N
DG01517	Tivantinib	11494412	"Tivantinib; 905854-02-6; ARQ 197; ARQ-197; ARQ197; (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; UNII-PJ4H73IL17; Tivantinib (ARQ 197); PJ4H73IL17; 1000873-98-2; (3R,4R)-3-(5,6-Dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; 905853-99-8; rel-(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-2,5-pyrrolidinedione; Tivantinib [USAN:INN]; Tivantinib; ARQ197; ARQ 197 (Tivantinib); Tivantinib (ARQ-197); SCHEMBL44944; Tivantinib (JAN/USAN/INN); GTPL7948; CHEMBL2103882; CHEBI:91398; DTXSID60920316; QCR-102; ARQ-197,Tivantinib, ARQ197; ARQ197; ARQ-197;Tivantinib; BCPP000042; AOB87130; BCP02529; EX-A2169; CAS:905854-02-6;Tivantinib; BDBM50146168; NSC758242; NSC800951; s2753; AKOS022182739; ZINC100016063; CCG-268285; DB12200; NSC-758242; NSC-800951; (-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; AC-25009; AS-16991; HY-50686; J3.496.311H; C77073; D10173; E82820; A857990; J-501255; BRD-K33379087-001-01-8; Q17123902; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4(1H-indol-3-yl)pyrrolidine-2,5-dione; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl) pyrrolidine-2,5-dione; (+/-)-trans-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (_)-trans-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4(1h-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-6-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione; (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione; (3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-yl)-4-(1H-indole-3-yl)pyrrolidine-2,5-dione; 2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo(3,2,1-ij)quinolin-1-yl)-4-(1H-indol-3-yl)-, (3R,4R)-; 2,5-Pyrrolidinedione,3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-,(3R,4R)-rel-; 3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-5-hydroxy-4-(1H-indol-3-yl)-3,4-dihydro-2H-pyrrol-2-one; TIV; trans 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-pyrrolidine-2,5-dione"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91398	DB12200	.	.	369.4	2	C23H19N3O2	66.9	666	2.9	28	2	2	C1CC2=C3C(=CC=C2)C(=CN3C1)[C@H]4[C@@H](C(=O)NC4=O)C5=CNC6=CC=CC=C65	"InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1"	UCEQXRCJXIVODC-PMACEKPBSA-N
DG01518	RO4927350	11526671	"876755-27-0; RO4927350; Ro 4927350; (2S,3S)-2-((R)-4-(4-(2-hydroxyethoxy)phenyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-(4-propionylthiazol-2-yl)butanamide.; SCHEMBL1204725; CHEMBL2396994; CHEBI:132984; ZINC43203214; RO-4927350; (2S,3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide; (2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide; (2s,3s)-2-{(r)-4-[4-(2-hydroxy-ethoxy)-phenyl]-2,5-dioxo-imidazolidin-1-yl}-3-phenyl-n-(4-propionyl-thiazol-2-yl)-butyramide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	536.6	11	C27H28N4O6S	166	861	3.2	38	3	8	CCC(=O)C1=CSC(=N1)NC(=O)[C@H]([C@@H](C)C2=CC=CC=C2)N3C(=O)[C@H](NC3=O)C4=CC=C(C=C4)OCCO	"InChI=1S/C27H28N4O6S/c1-3-21(33)20-15-38-26(28-20)30-24(34)23(16(2)17-7-5-4-6-8-17)31-25(35)22(29-27(31)36)18-9-11-19(12-10-18)37-14-13-32/h4-12,15-16,22-23,32H,3,13-14H2,1-2H3,(H,29,36)(H,28,30,34)/t16-,22+,23-/m0/s1"	RKKBPPTYPGTSEA-FNVCAUGXSA-N
DG01519	RO4987655	11548630	"RO4987655; 874101-00-5; RO-4987655; CH4987655; CH-4987655; UNII-I3733P75ML; 3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)amino]-N-(2-Hydroxyethoxy)-5-[(3-Oxo-1,2-Oxazinan-2-Yl)methyl]benzamide; 3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-5-((3-oxomorpholino)methyl)benzamide; CHEMBL1614766; I3733P75ML; RO 4987655; 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-5-((3-oxo-1,2-oxazinan-2-yl)methyl)benzamide; C20H19F3IN3O5; 3,4-Difluoro-2-(2-fluoro-4-iodo-anilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3orn; GTPL9910; SCHEMBL1562083; SYN1188; BCP12182; EX-A2312; 4014AH; BDBM50338038; NSC762521; NSC800870; RG7167; ZINC43103796; AKOS005266648; DB12933; NSC-762521; NSC-800870; SB16732; r-7167; compound 24 [PMID: 21316218]; NCGC00378595-03; AS-16322; HY-14719; DS-016573; B3261; US8575391, 334; RO4987655; CH-4987655; Q27280303; 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(3-oxo-[1,2]oxazinan-2-ylmethyl)-benzamide; 3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxo-2-oxazinanyl)methyl]benzamide; 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide; 3OR; Benzamide, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(tetrahydro-3-oxo-2H-1,2-oxazin-2-yl)methyl]-"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	.	DB12933	.	.	565.3	8	C20H19F3IN3O5	100	652	3	32	3	9	C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO	"InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)"	FIMYFEGKMOCQKT-UHFFFAOYSA-N
DG01520	RAF-265	11656518	"RAF265; 927880-90-8; CHIR-265; RAF 265; RAF-265; RAF265(CHIR-265); CHIR 265; RAF265 (CHIR-265); 1-Methyl-5-[[2-[5-(trifluoromethyl)-1h-imidazol-2-yl]-4-pyridinyl]oxy]-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine; 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine; CHIR265; UNII-8O434L3768; RAF-265 (CHIR-265); 8O434L3768; 1-Methyl-5-({2-[5-(Trifluoromethyl)-1h-Imidazol-2-Yl]pyridin-4-Yl}oxy)-N-[4-(Trifluoromethyl)phenyl]-1h-Benzimidazol-2-Amine; 1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine; 1-Methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]-oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine; NVP-RAF265; SCHEMBL686452; CHEMBL558752; GTPL5674; BDBM31088; C24H16F6N6O; CHEBI:91451; EX-A072; cid_11656518; HMS3655B06; HMS3672I21; AMY24172; AOB87162; RAF265 - CHIR-265; MFCD16659061; NSC754357; NSC800861; s2161; ZINC18710085; CHIR 265 (RAF 265); AKOS025117575; CCG-264703; CS-0232; DB05984; EX-8671; NSC-754357; NSC-800861; SB16578; NCGC00250407-01; NCGC00250407-04; 1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yl)oxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine; AC-30291; AS-56738; HY-10248; QC-11760; FT-0746327; SW219923-1; X7407; A25488; J-504965; Q27075961; [1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridyl]oxy]benzimidazol-2-yl]-[4-(trifluoromethyl)phenyl]amine; {1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzo-imidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine; {1-Methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)-pyridin-4-yloxy]-1H-benzoimidazol-2-yl}-(4-trifluoromethyl-phenyl)-amine; 1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine; 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-2-benzimidazolamine; 1-methyl-5-[2-(5-trifluoromethyl-1H-imidazol-2-yl)pyridin-4-yloxy]-N-(4-trifluoromethylphenyl)-1H-benzo[d]imidazol-2-amine; 1H-Benzimidazol-2-amine, 1-methyl-5-((2-(5-(trifluoromethyl)-1H-imidazol-2-yl)-4-pyridinyl)oxy)-N-(4-(trifluoromethyl)phenyl)-; 1H-Benzimidazol-2-amine, 1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]; 55J; CHIR-265;1-methyl-5-(2-(5-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-4-yloxy)-N-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazol-2-amine"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:91451	DB05984	.	.	518.4	5	C24H16F6N6O	80.6	763	5.4	37	2	11	CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F	"InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)"	YABJJWZLRMPFSI-UHFFFAOYSA-N
DG01521	Motesanib	11667893	"Motesanib; 453562-69-1; AMG 706; AMG-706; N-(3,3-dimethylindolin-6-yl)-2-(pyridin-4-ylmethylamino)nicotinamide; AMG706; UNII-U1JK633AYI; N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide; N-(2,3-Dihydro-3,3-dimethyl-1H-indol-6-yl)-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide; U1JK633AYI; CHEBI:51098; 453562-69-1 (free base); N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide; N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide; C22H23N5O; N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4- ylmethyl)amino]pyridine-3-carboxamide; Motesanib [USAN:INN]; N-(3,3-Dimethyl-2,3-dihydro-1H-indol-6-yl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide; Motesanib (USAN); AMG706/ Motesanib; Motesanib (AMG-706); SCHEMBL187470; CHEMBL572881; GTPL5660; QCR-80; BDBM24773; DTXSID10196488; EX-A487; SYN1055; cid_11667893; BCPP000407; HMS3244A09; HMS3244A10; HMS3244B09; HMS3265G19; HMS3265G20; HMS3265H19; HMS3265H20; AOB87176; BCP01982; AMG 706; AMG-706; MFCD10567689; NSC760843; NSC800801; s5793; ZINC18710082; AKOS005146333; N-(3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide; BCP9000289; DB05575; EX-8571; NSC-760843; NSC-800801; SB14621; NCGC00263205-01; NCGC00263205-06; AC-32664; AS-16212; HY-10228; FT-0706483; X4931; A19395; D06678; 562M691; J-522983; Q6917202; BRD-K99616396-316-01-2; N-(3,3-dimethylindolin-6-yl)-2-(4-pyridylmethylamino)nicotinamide; N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide; 3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-((4-pyridinylmethyl)amino)-"	Discontinued in Phase 3	11	Discontinued Drug(s)	Discontinued in Phase 3	Small molecular drug	.	CHEBI:51098	DB05575	.	.	373.5	5	C22H23N5O	78.9	533	3.9	28	3	5	CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C	"InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)"	RAHBGWKEPAQNFF-UHFFFAOYSA-N
DG01522	AZ628	11676786	"878739-06-1; AZ 628; AZ-628; AZ628; 3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide; AZD628; UNII-560S6B5D79; 3-(2-cyanopropan-2-yl)-N-(4-methyl-3-(3-methyl-4-oxo-3,4-dihydroquinazolin-6-ylamino)phenyl)benzamide; 3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]benzamide; 3-(Cyano-dimethyl-methyl)-N-[4-methyl-3-(3-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylamino)-phenyl]-benzamide; CHEMBL2144069; 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide; 560S6B5D79; C27H25N5O2; 3-(2-Cyanopropan-2-Yl)-N-{4-Methyl-3-[(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}benzamide; B1E; MLS006010314; GTPL8475; SCHEMBL4209241; CHEBI:91354; DTXSID70236677; EX-A302; QCR-186; HMS3265I11; HMS3265I12; HMS3265J11; HMS3265J12; HMS3656F21; HMS3743G19; BCP02117; BDBM50430022; MFCD17392577; NSC782007; s2746; ZINC38226503; AKOS016011304; BCP9000346; CCG-264992; CS-0091; NSC-782007; SB19421; NCGC00250380-01; NCGC00250380-03; NCGC00250380-10; AC-26863; Benzamide, 3-(1-cyano-1-methylethyl)-N-(3-((3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino)-4-methylphenyl)-; BS-42436; HY-11004; SMR004701380; FT-0700393; SW219448-1; Y0332; J-510421; BRD-K05804044-001-01-1; Q27074677; 3-(1-Cyano-1-methylethyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:91354	.	.	.	451.5	5	C27H25N5O2	97.6	845	4.2	34	2	5	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C	"InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)"	ZGBGPEDJXCYQPH-UHFFFAOYSA-N
DG01523	GDC0879	11717001	"GDC-0879; 905281-76-7; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; CHEBI:83405; GDC0879; UNII-E488J6BA6E; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; CHEMBL525191; E488J6BA6E; GDC 0879; 2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol; 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1h-pyrazol-4-yl)-1h-inden-1-one oxime; 2,3-Dihydro-5-[1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl]-1H-inden-1-one oxime; 2-{4-[(1e)-1-(Hydroxyimino)-2,3-Dihydro-1h-Inden-5-Yl]-3-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl}ethanol; SCHEMBL2467603; DTXSID00471110; BCPP000222; AMY20724; EX-A2357; GDC-0879,GDC0879; BDBM50029085; s1104; ZINC34640412; AKOS015856553; BCP9000714; CCG-264821; CS-0158; NCGC00263179-09; HY-50864; QC-11137; BCP0726000314; DB-000743; GDC-0879, >=98% (HPLC); X7405; EC-000.2334; J-506998; BRD-K67578145-001-01-4; BRD-K67578145-001-12-1; (E)-5-(1-(2-Hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one; (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-oneoxime; 5-(1-(2-Hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; 5-[1-(2-Hydroxy-ethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]-indan-1-one oxime; 1H-Inden-1-one, 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl)-, oxime; 1H-Inden-1-one, 2,3-dihydro-5-(1-(2-hydroxyethyl)-3-(4-pyridinyl)-1H-pyrazol-4-yl)-, oxime, (1E)-; 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-yl-1H-pyrazol-1-yl}ethanol;(E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime; 2230954-03-5"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	334.4	4	C19H18N4O2	83.5	480	1.7	25	2	5	C1C/C(=N\\O)/C2=C1C=C(C=C2)C3=CN(N=C3C4=CC=NC=C4)CCO	"InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+"	DEZZLWQELQORIU-RELWKKBWSA-N
DG01524	Ulixertinib	11719003	"Ulixertinib; 869886-67-9; VRT752271; BVD-523; Ulixertinib (BVD-523); UNII-16ZDH50O1U; Ulixertinib [INN]; 16ZDH50O1U; CHEMBL3590106; Ulixertinib (INN); 869886-67-9 (free base); VRT-752271; Ulixertinib (BVD-523, VRT752271); (S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide; (S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide.; 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide; N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide; BVD-ERK; Ulixertinib (BVD-523,VRT752271); 4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide; BVD523 HCl; BVD-523 HCl; VRT752271 HCl; GTPL9210; SCHEMBL14211742; BCP04232; EX-A1332; BDBM50094465; NSC797771; NSC800959; s7854; ZINC34642570; AKOS025396467; CCG-269049; DB13930; NSC-797771; NSC-800959; NCGC00378692-02; NCGC00378692-05; NCGC00378692-07; 1H-Pyrrole-2-carboxamide, 4-(5-chloro-2-((1-methylethyl)amino)-4-pyridinyl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-; AC-33165; AS-56114; HY-15816; QC-10489; BCP0726000085; D11038; J-690368; Q27089081; 3,5-Dichloro-2-hydroxy-N-(4-methoxy-3-biphenylyl)benzenesulfonamide; 4-[5-Chloro-2-(isopropylamino)-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13930	.	.	433.3	7	C21H22Cl2N4O2	90	539	4.1	29	4	4	CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl	"InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1"	KSERXGMCDHOLSS-LJQANCHMSA-N
DG01525	IRAK-1 or IRAK-4 inhibitors	11983295	"IRAK-1-4 Inhibitor I; 509093-47-4; IRAK-1/4 Inhibitor; IRAK-1/4 Inhibitor I; N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide; Interleukin-1 Receptor-Associated-Kinase-1/4 Inhibitor; CHEMBL379787; N-(1-(2-morpholinoethyl)-1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide; N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitrobenzamide; IRAK-1-4 Inhibitor; IRAK1/4 Inhibitor I; MLS006010636; GTPL5990; SCHEMBL3600534; DTXSID50475143; HMS3229G05; HMS3263A20; HMS3744A07; BCP16164; EX-A1254; Tox21_501049; 3747AH; BDBM50184706; MFCD09752602; s6598; ZINC16052821; AKOS026750497; Benzamide, N-[1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl]-3-nitro-; CCG-206760; CS-0704; LP01049; SDCCGSBI-0086683.P002; NCGC00186035-01; NCGC00186035-02; NCGC00186035-03; NCGC00186035-04; NCGC00186035-10; NCGC00261734-01; BS-17437; HY-13329; SMR001456469; J3.545.430F; F17398; IRAK-1/4 Inhibitor I, >=98% (HPLC), solid; Q27078097; 1-[2-(4-Morpholinyl)ethyl]-2-(3-nitrobenzoylamino)-1H-benzoimidazole; 3-nitro-N-(1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazol-2-yl)-benzamide; N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}-3-nitrobenzamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	395.4	5	C20H21N5O4	105	580	2	29	1	6	C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]	"InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)"	QTCFYQHZJIIHBS-UHFFFAOYSA-N
DG01526	FR900359	14101198	"FR900359; [(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate; 107530-18-7; CHEMBL4171381; UBO-QIC; FR-900359; GTPL9336; SCHEMBL22133450; CHEBI:178012; BDBM50514449"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	1002.2	15	C49H75N7O15	286	1940	3.5	71	5	15	CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)C)C)CC2=CC=CC=C2)NC(=O)C)C(C)C)[C@@H](C)OC)C)C(C)C	"InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1"	IMXKHFILKMPFGB-ZWYWTTNJSA-N
DG01527	MRK-003	15953832	"MRK003; 623165-93-5; CHEMBL196215; (1'R,4R,10'S)-2-(2,2,2-Trifluoroethyl)-5'-[(E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide; MRK 003; MRK-003; SCHEMBL14181954; BDBM50171224; ZINC28526589; AKOS025149447; (3'R,6S,9R)-5,6,7,8,9,10-Hexahydro-5'-(2,2,2-trifluoroethyl)-2-[(1E)-3-[4-(trifluoromethyl)-1-piperidinyl]-1-propen-1-yl]spiro[6,9-methanobenzocyclooctene-11,3'-[1,2,5]thiadiazolidine] 1',1'-dioxide; (3R,6'S,9'R)-5-(2,2,2-Trifluoroethyl)-2'-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5',6',7',8',9',10'-hexahydrospiro[[1,2,5]thiadiazolidine-3,11'-[6,9]methanobenzo[8]annulene] 1,1-dioxide; 423167-89-9; Rel-(3R,6'S,9'R)-5-(2,2,2-trifluoroethyl)-2'-((E)-3-(4-(trifluoromethyl)piperidin-1-yl)prop-1-en-1-yl)-5',6',7',8',9',10'-hexahydrospiro[[1,2,5]thiadiazolidine-3,11'-[6,9]methanobenzo[8]annulene] 1,1-dioxide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	551.6	4	C25H31F6N3O2S	61	957	5.3	37	1	11	C1C[C@@H]2CC3=C(C[C@H]1[C@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/CN5CCC(CC5)C(F)(F)F	"InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1"	NKHUILHBYOOZDF-NCOIWELASA-N
DG01528	JW74	16013152	"JW74; 863405-60-1; CHEMBL1552719; JW-74; 5-(((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-3-(p-tolyl)-1,2,4-oxadiazole; SCHEMBL11919898; HMS1844M08; JW 74; ZINC8614303; BDBM50380592; CCG-68686; STL406359; AKOS001512198; CS-5463; MCULE-3805212654; JW74, >=98% (HPLC); NCGC00115449-01; NCGC00115449-04; HY-19739; D065-0024; 3-(4-Methylphenyl)-5-[[[4-(4-methoxyphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-yl]thio]methyl]-1,2,4-oxadiazole; 4-[4-(4-methoxyphenyl)-5-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine; 4-[4-(4-methoxyphenyl)-5-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-4H-1,2,4-triazol-3-yl]pyridine; 4-[4-(4-Methoxyphenyl)-5-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]-pyridine; 5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	456.5	7	C24H20N6O2S	117	596	4.3	33	0	8	CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5	"InChI=1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3"	KRIKILRRJCIWNB-UHFFFAOYSA-N
DG01529	Voxtalisib	16123056	"Voxtalisib; 934493-76-2; SAR245409; 2-amino-8-ethyl-4-methyl-6-(1h-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7(8h)-one; UNII-CVL1685GPH; CVL1685GPH; Voxtalisib (XL765, SAR245409); Voxtalisib [USAN:INN]; Voxtalisib (USAN/INN); Voxtalisib (XL-765); SCHEMBL189573; CHEMBL3545366; CHEBI:124914; BCP16243; EX-A4140; BDBM50519385; NSC791226; NSC800972; s7646; ZINC35308805; 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one; AKOS037515701; CCG-267162; CS-3163; DB12400; NSC-791226; NSC-800972; SAR 245409; SB16573; Pyrido(2,3-d)pyrimidin-7(8H)-one, 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-3-yl)-; NCGC00387875-03; NCGC00387875-04; AC-29029; AS-56112; HY-15900; QC-11818; J3.527.559B; D11727; A855661; Q27215232; 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:124914	DB12400	.	.	270.29	2	C13H14N6O	101	425	0.5	20	2	5	CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N	"InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)"	RGHYDLZMTYDBDT-UHFFFAOYSA-N
DG01530	E7107	16202132	"E7107; UNII-R60DZX1E2N; R60DZX1E2N; 630100-90-2; (3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-7-[(4-cycloheptylpiperazin-1-yl)carbonyl]oxy-3,6,16,21-tetrahydroxy-6,10,12,16,20-pentamethyl-18,19-epoyxtrichosa-8,12,14-trien-11-olide; [(2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-[(2E,4E,6R)-6-hydroxy-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate; E 7107; SCHEMBL3624011; CHEMBL4297278; BDBM36359; DB12508; CID16202132; Q27287836; 1-Piperazinecarboxylic acid, 4-cycloheptyl-, (2S,3S,4E,6S,7R,10R)-7,10-dihydroxy-2-((1E,3E,5R)-5-hydroxy-6-((2R,3R)-3-((1R,2S)-2-hydroxy-1-methylbutyl)oxiranyl)-1,5-dimethyl-1,3-hexadienyl)-3,7-dimethyl-12-oxooxacyclododec-4-en-6-yl ester"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB12508	.	.	719	11	C40H66N2O9	153	1220	5.2	51	4	10	CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O	"InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1"	MNOMBFWMICHMKG-MGYWSNOQSA-N
DG01531	Cobimetinib	16222096	"Cobimetinib; 934660-93-2; GDC-0973; XL518; Cotellic; Xl-518; GDC 0973; RG7420; XL 518; RG 7420; UNII-ER29L26N1X; ER29L26N1X; C21H21F3IN3O2; CHEMBL2146883; XL518 (GDC-0973); Cobimetinib (GDC-0973, RG7420); (S)-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)methanone; [3,4-Bis(Fluoranyl)-2-[(2-Fluoranyl-4-Iodanyl-Phenyl)amino]phenyl]-[3-Oxidanyl-3-[(2s)-Piperidin-2-Yl]azetidin-1-Yl]methanone; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone; [3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-phenyl]-((s)-3-hydroxy-3-piperidin-2-yl-azetidin-1-yl)-methanone; EUI; Cobimetinib Butyrate; Cobimetinib [USAN:INN]; cometinib; Cobimetinib (USAN/INN); SCHEMBL189565; GTPL7626; QCR-87; XL518;RG7420;Cobimetinib; CHEBI:90851; DTXSID60239435; EX-A673; GDC0973; GDC0973; XL518; Cobimetinib; 3556AH; BDBM50391802; MFCD22124461; NSC768068; NSC781257; NSC800075; s8041; ZINC60325170; BCP9000716; CCG-264727; CS-0521; DB05239; NSC-768068; NSC-781257; NSC-800075; VS-0129; NCGC00346455-03; NCGC00346455-05; (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl)methanone; HY-13064; Methanone, (3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)(3-hydroxy-3-((2S)-2-piperidinyl)-1-azetidinyl)-; RO-5514041; D10405; J-525162; Q15708292; (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)(3-hydroxy-3-((S)-piperidin-2-yl)cyclobutyl)methanone; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin; [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone; [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone; {3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:90851	DB05239	.	.	531.3	4	C21H21F3IN3O2	64.599	624	3.9	30	3	7	C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O	"InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1"	BSMCAPRUBJMWDF-KRWDZBQOSA-N
DG01532	Buparlisib	16654980	"Buparlisib; 944396-07-0; NVP-BKM120; BKM120; 5-(2,6-dimorpholinopyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine; NVP-BKM-120; BKM-120; 1202777-78-3; BKM 120; Buparlisib (BKM120); UNII-0ZM2Z182GD; NVP-BKM 120; BKM120 (NVP-BKM120, Buparlisib); 5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine; 5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine; 5-[2,6-Di(Morpholin-4-Yl)pyrimidin-4-Yl]-4-(Trifluoromethyl)pyridin-2-Amine; 0ZM2Z182GD; CHEMBL2017974; CHEBI:71954; 944396-07-0 (free base); C18H21F3N6O2; 2-Pyridinamine,5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-; 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-2-Pyridinamine; 5-[2,6-Di(4-morpholinyl)-4-pyrimidinyl]-4-(trifluoromethyl)-2-pyridinamine.; Buparlisib [USAN:INN]; BKM 120NX; SD5; Buparlisib; BKM120; 3sd5; Buparlisib (USAN/INN); QCR-4; BKM-120NX; BKM120-NX; MLS006010984; SCHEMBL146956; GTPL7878; BKM120,NVP-BKM120; AMMD00049; BKM-120 (PI3K); DTXSID50241486; EX-A189; SYN1200; HMS3295I15; HMS3655D16; AOB87379; BKM120 (NVP-BKM120); BKM120 - NVP-BKM120; BDBM50380363; MFCD18251596; NSC754353; NSC799370; s2247; ZINC43154039; 2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-; AKOS016005372; AM85983; BCP9001011; CCG-264954; CS-0089; DB11666; NSC-754353; NSC-799370; SB16577; NCGC00262604-01; NCGC00262604-08; AC-32077; AS-40568; HY-70063; SMR004702786; DB-079882; FT-0755923; SW218149-2; X7578; A25436; D10584; A892274; J-516601; BRD-K42191735-001-01-2; Q25100534; 4-(trifluoromethyl)-5-(2,6-dimorpholinopyrimidin-4-yl)pyridin-2-amine; 5-(2,6-Di-4-morpholinyl-4-pyrimidinyl)-4-trifluoromethylpyridin-2-amine; 5-(2,6-di-morpholin-4-yl-pyrimidin-4-yl)-4-trifluoromethyl-pyridin-2-ylamine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:71954	DB11666	.	.	410.4	3	C18H21F3N6O2	89.6	530	1.5	29	1	11	C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4	"InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)"	CWHUFRVAEUJCEF-UHFFFAOYSA-N
DG01533	AZD1480	16659841	"AZD1480; 935666-88-9; AZD-1480; AZD 1480; UNII-KL2Z2TLF01; (S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; C14H14ClFN8; KL2Z2TLF01; CHEMBL1231124; 5-Chloro-N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(5-Methyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-Diamine; 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine,5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-; 2xa4; MLS006011153; GTPL5933; QCR-23; SCHEMBL3345019; AMMD00048; DTXSID50239469; EX-A450; BCPP000361; AOB87317; BCP02413; AZD1480,AZD 1480; BDBM50335201; NSC756648; NSC799344; s2162; ZINC58631551; AKOS027322548; AM85979; BCP9000361; CCG-268021; DB12588; NSC-756648; NSC-799344; NCGC00242486-01; NCGC00242486-02; NCGC00242486-05; 2,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyrimidinyl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)-; AC-32807; AS-17011; HY-10193; SMR004702927; SW219486-1; X7497; J3.540.767G; J-502241; Q27074711; 935666-88-9, 1260222-79-4 (TFA); (R)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine; 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine; 5-chloro-N~2~-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N~4~-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine; 5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)- 2,4-pyrimidinediamine; 5-Chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-pyrimidine-2,4-diamine; AZ5"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12588	.	.	348.76	5	C14H14ClFN8	104	397	2.4	24	3	8	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F	"InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1"	PDOQBOJDRPLBQU-QMMMGPOBSA-N
DG01534	AZD-8330	16666708	"AZD8330; 869357-68-6; AZD-8330; ARRY-424704; ARRY-704; AZD 8330; 2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; UNII-G4990BOZ66; ARRY-424704, ARRY-704; 2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; G4990BOZ66; 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide; C16H17FIN3O4; 2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide.; ARRY 424704; ARRY704; MLS006011055; SCHEMBL388533; GTPL8474; CHEMBL3182621; CHEBI:91424; DTXSID50235986; QCR-188; SYN1195; ARRY424704; BCPP000359; BDBM520648; HMS3295M05; HMS3655B04; AOB87392; BCP02466; EX-A2349; NSC772563; NSC799353; s2134; ZINC43152942; AKOS027420927; BCP9000368; CCG-269348; CS-0217; DB06061; NSC-772563; NSC-799353; ARRY-704, ARRY-424704; NCGC00346567-01; NCGC00346567-12; 2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide; AC-32863; AS-16990; HY-12058; SMR004702847; SW219692-1; US11147816, AZD8330; X7393; AZD8330,ARRY-424704, ARRY-704; AZD8330(ARRY-424704; ARRY-704); J-505617; BRD-K37687095-001-01-0; Q27074802; 2-(2-fluoro-4-iodophenylamino)-N-(2-hydroxyethoxyl)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; ARRY-424704; ; ; 2-(2-Fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide"	Discontinued in Phase 1	13	Discontinued Drug(s)	Discontinued in Phase 1	Small molecular drug	.	CHEBI:91424	DB06061	.	.	461.23	6	C16H17FIN3O4	90.9	596	2.2	25	3	6	CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO	"InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)"	RWEVIPRMPFNTLO-UHFFFAOYSA-N
DG01535	RO-5126766 free base	16719221	"946128-88-7; RO5126766; RO-5126766; CH5126766; Ro 5126766; RO-5126766 free base; RO5126766(CH5126766); CHEBI:78825; CH-5126766; Ro 5126766 - Bio-X; RG-7304; CKI-27; 3-[[2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl]-4-methyl-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-2-one; CHEMBL3264002; UNII-D0D4252V97; RO5126766 (CH5126766); D0D4252V97; VS-6766; N-(3-Fluoro-4-{[4-Methyl-2-Oxo-7-(Pyrimidin-2-Yloxy)-2h-Chromen-3-Yl]methyl}pyridin-2-Yl)-N'-Methylsulfuric Diamide; avutometinib; 3wig; CHU; SCHEMBL960093; GTPL11867; BCP21067; EX-A2151; BDBM50010462; NSC758248; NSC800871; s7170; ZINC68247388; AKOS030527032; CCG-269457; compound 1 [PMID: 24900832]; CS-5254; DB15254; NSC-758248; NSC-800871; SB16628; DA-40233; HY-18652; B5820; CH 5126766; FT-0737411; R-7304; A916428; RO5126766; CH5126766; Q27147976; RO 5126766; RO5126766; CH5126766; CH5126766; CH 5126766; 3-[(2-((N-methylsulfamoyl)amino)-3-fluoropyridin-4-yl)methyl]-4-methyl-7-(pyrimidin-2-yloxy)-chromen-2-one; 3-[[3-fluoro-2-(methylsulfamoylamino)pyridin-4-yl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one; Sulfamide, N-(3-fluoro-4-((4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl)methyl)-2-pyridinyl)-N'-methyl-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:78825	DB15254	.	.	471.5	7	C21H18FN5O5S	141	845	2	33	2	11	CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F	"InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)"	LMMJFBMMJUMSJS-UHFFFAOYSA-N
DG01536	Pictilisib	17755052	"957054-30-7; GDC-0941; PICTILISIB; Pictrelisib; GDC0941; GDC 0941; 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine; 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine; UNII-ICY00EMP8P; GDC-0941 (Pictilisib); Pictilisib (GDC-0941); ICY00EMP8P; 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine; CHEBI:65326; 957054-30-7 (free base); RG7321; 2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine; C23H27N7O3S2; 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine; 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine; 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine; GD9; Pictilisib [USAN:INN]; Pictilisib (USAN); Kinome_3719; GDC0941(Pictilisib); 957054-50-1; Pictilisib; GDC-0941; 2-(1H-Indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)thieno[3,2-d]pyrimidine; MLS006010057; SCHEMBL190812; CHEMBL521851; GTPL5682; BDBM25028; DTXSID40241930; EX-A167; SYN1041; HMS2043A16; HMS3244H06; HMS3244H10; HMS3244H14; HMS3265I05; HMS3265I06; HMS3265J05; HMS3265J06; HMS3654K13; HMS3744A19; AOB87310; BCP01714; CDC-0941; EX-A1536; GNE 0941; MFCD11616196; NSC755385; NSC800852; s1065; ZINC16052714; AKOS015966503; BCP9000715; CCG-264801; CS-0081; DB11663; NSC-755385; NSC-800852; QC-4780; RG-7321; SB19941; NCGC00187482-01; NCGC00187482-03; NCGC00187482-10; 2-(1H-indazol-4-yl)-6-((4-(methanesulfonyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidine; AC-32623; AS-19377; HY-50094; SMR004701219; Thieno(3,2-d)pyrimidine, 2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)-1-piperazinyl]methyl)-4-(4-morpholinyl)-; FT-0696889; SW202556-4; X7409; EC-000.2335; D10189; 054G307; A845396; J-513238; BRD-K52911425-001-02-3; Q27088388; C532162000; 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine; 4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine; 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-thieno[3,2-d]pyrimidinyl]morpholine; Thieno[3,2-d]pyrimidine,2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:65326	DB11663	.	.	513.6	5	C23H27N7O3S2	144	832	1.6	35	1	10	CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6	"InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)"	LHNIIDJUOCFXAP-UHFFFAOYSA-N
DG01537	Tirbanibulin	23635314	"KX2-391; 897016-82-9; Tirbanibulin; KX-01; N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamide; UNII-4V9848RS5G; KX-2-391; KX-2391; CHEMBL571546; 4V9848RS5G; KX2391; KX2-391;KX-01; 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide; Klisyri; KX 01; Tirbanibulin [USAN]; Tirbanibulin (USAN/INN); KX2-391 (Tirbanibulin); Tirbanibulin (KX2-391); MLS006011272; SCHEMBL153779; GTPL7957; KX01; DTXSID30237862; HMS3656J15; HMS3673E15; BCP02845; EX-A2434; XKB01682; BDBM50303801; NSC756643; NSC800779; s2700; WHO 10864; ZINC43152787; N-benzyl-2-(5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridin-2-yl)acetamide; N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]acetamide; BCP9000828; CCG-264983; CS-0248; DB06137; KX2-391; KX-01; NSC-756643; NSC-800779; SB16619; 2-Pyridineacetamide, 5-(4-(2-(4-morpholinyl)ethoxy)phenyl)-n-(phenylmethyl)-; NCGC00346644-01; NCGC00346644-05; AS-73245; HY-10340; KX 2-391; SMR004703022; DB-119272; SW219670-1; X7515; C77028; D11691; A915990; BRD-K29968218-001-01-6; Q27888424; 2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)-N-benzylacetamide; 2-(5-(4-(2-morpholinoethoxyl)phenyl)pyridin-2-yl)-N-benzylacetamide; 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-N-(phenylmethyl)acetamide; 2-Pyridineacetamide,5-[4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)-; 5-[4-[2-(4-Morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)-2-pyridineacetamide; DN0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06137	.	.	431.5	9	C26H29N3O3	63.7	540	2.9	32	1	5	C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4	"InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)"	HUNGUWOZPQBXGX-UHFFFAOYSA-N
DG01538	PLX4720	24180719	"PLX-4720; 918505-84-7; PLX4720; N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide; PLX 4720; N-[3-[(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide; UNII-EQY31RO8HA; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide; EQY31RO8HA; CHEBI:90295; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide; N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide; C17H14ClF2N3O3S; N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide; a,a-dimethoxytoluene; 3c4c; MLS006010065; SCHEMBL133733; GTPL5703; CHEMBL1230020; BDBM25617; AMY2871; DTXSID10238711; EX-A186; SYN1069; HMS3244C03; HMS3244C04; HMS3244D03; HMS3265I09; HMS3265I10; HMS3265J09; HMS3265J10; HMS3654M10; HMS3750K11; HMS3884C05; ACT06829; AOB87700; BCP01754; PLX-4720,PLX4720; BBL102256; MFCD14635203; NSC757438; s1152; STL556055; ZINC39059267; AKOS015919071; CCG-268810; CS-0094; DB06999; NSC-757438; NCGC00187911-01; NCGC00187911-02; NCGC00187911-06; 1-Propanesulfonamide, N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-; AC-23171; AS-19376; HY-51424; SMR004701225; DB-003736; FT-0673969; SW218119-2; X7406; A19411; Raf Kinase Inhibitor V - CAS 918505-84-7; 505P847; J-522979; BRD-K16478699-001-01-9; Q27088418; N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]pr opane-1-sulfonamide; propane-1-sulfonic acid [3-(5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-amide; Propane-1-sulfonic acid[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-amide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:90295	DB06999	.	.	413.8	6	C17H14ClF2N3O3S	100	648	3.3	27	2	7	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F	"InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)"	YZDJQTHVDDOVHR-UHFFFAOYSA-N
DG01539	CUDC-101	24756910	"CUDC-101; 1012054-59-9; CUDC 101; 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide; CUDC101; UNII-1A7Y9MP123; 7-[[4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl]oxy]-N-hydroxyheptanamide; CHEMBL598797; 1A7Y9MP123; 7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide; 7-((4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-((4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yl)oxy)-N-hydroxyheptanamide; 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide; CUDC-101, Free Base; SCHEMBL93769; MLS006010163; GTPL8894; AOB6495; DTXSID00143784; EX-A842; QCR-203; HMS3654C20; BCP01935; BDBM50307768; MFCD15528940; NSC800081; s1194; ZINC43196377; AKOS022526176; BCP9000556; CCG-264856; compound 8 [PMID: 20143778]; DB12174; NSC-800081; SB19287; NCGC00263177-01; NCGC00263177-05; NCGC00263177-12; 1313875-12-5; AC-28428; AS-16955; HY-10223; SMR004701272; FT-0665231; SW219934-1; X7526; J-000340; J-519062; Q27076925; Heptanamide, 7-[[4-[(3-ethynylphenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-N-hydroxy-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB12174	.	.	434.5	12	C24H26N4O4	106	624	4	32	3	7	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO	"InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)"	PLIVFNIUGLLCEK-UHFFFAOYSA-N
DG01540	Ipatasertib	24788740	"Ipatasertib; GDC-0068; 1001264-89-6; Ipatasertib (GDC-0068); UNII-524Y3IB4HQ; RG7440; GDC0068; GDC 0068; RG-7440; GDC-0068 (RG7440); 524Y3IB4HQ; CHEMBL2177390; (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one; RG 7440; (2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone; (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one; C24H32ClN5O2; (2s)-2-(4-Chlorophenyl)-1-{4-[(5r,7r)-7-Hydroxy-5-Methyl-6,7-Dihydro-5h-Cyclopenta[d]pyrimidin-4-Yl]piperazin-1-Yl}-3-(Propan-2-Ylamino)propan-1-One; 1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)-; Ipatasertib [USAN:INN]; MFCD22124514; 1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-; GDC0068 di-HCl; Ipatasertib (USAN/INN); GDC-0068 di-HCl; Ipatasertib; GDC-0068; RG-7440 di-HCl; SCHEMBL191659; GTPL7887; CHEBI:95089; AOB87386; EX-A2077; BDBM50398379; NSC767898; NSC781451; NSC800986; NSC832484; s2808; ZINC68250459; AKOS025396463; BCP9000712; CCG-269312; CS-0975; DB11743; NSC-767898; NSC-781451; NSC-800986; NSC-832484; NCGC00346714-01; (2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one; 2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one; AC-28420; AS-17027; HY-15186; QC-10488; BCP0726000195; X6541; J3.478.537F; D10641; Q27078088; (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one; 0RF"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:95089	DB11743	.	.	458	6	C24H32ClN5O2	81.6	622	2.5	32	2	6	C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O	"InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1"	GRZXWCHAXNAUHY-NSISKUIASA-N
DG01541	BMS-777607	24794418	"BMS-777607; 1025720-94-8; BMS 777607; 1196681-44-3; BMS777607; ASLAN-002; UNII-A3MMS6HDO1; ASLAN002; N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; A3MMS6HDO1; N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide; BMS 817378; 3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-; N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[4-[(2-Amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; 3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-;3-Pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-; N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide.; MLS006010958; C25H19ClF2N4O4; CHEMBL460702; GTPL7953; SCHEMBL2588311; BDBM28031; CHEBI:91409; DTXSID50145278; EX-A004; 3f82; HMS3295I07; HMS3655C05; AMY24190; AOB87395; BCP02303; BCP13190; BMS777606; MFCD16495773; NSC764090; NSC799365; s1561; ZINC39716080; AKOS026750587; BCP9000432; CCG-264913; CS-0227; DB12064; EX-7213; NSC-764090; NSC-799365; QC-7244; SB16607; NCGC00263157-01; NCGC00263157-09; AC-30912; AC-31421; AS-17034; DA-35016; HY-12076; N-[4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide; N-{4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl}-4-ethoxy -1-(4-fluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide; SMR004702762; BMS-777607;BMS777607; FT-0701277; FT-0722977; SW219298-1; X7495; A25030; BMS-777607, >=98% (HPLC); J-004169; J-523337; BRD-K40738845-001-01-9; Q27075371; N-(4-(2-amino-3-chloropyridin-4-yloxy )-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[4-[(2-Amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide,; N-[4-[(2-Amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide;BMS-817378;BMS-777607"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	CHEBI:91409	DB12064	.	.	512.9	7	C25H19ClF2N4O4	107	867	4	36	2	8	CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F	"InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)"	VNBRGSXVFBYQNN-UHFFFAOYSA-N
DG01542	SGI-1776	24795070	"SGI-1776; 1025065-69-3; SGI-1776 free base; N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine; SGI 1776; SGI1776; N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine; UNII-72AUA0603W; N-[(1-Methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-b]pyridazin-6-amine; CHEMBL1952329; 72AUA0603W; CHEMBL1952141; Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-;Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-; Imidazo(1,2-b)pyridazin-6-amine, N-((1-methyl-4-piperidinyl)methyl)-3-(3-(trifluoromethoxy)phenyl)-; Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-; N-((1-Methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo(1,2-b)pyridazin-6-amine; Pim-Kinase Inhibitor IX; SGI 1776 free base; MLS006011076; SCHEMBL102498; GTPL8784; CHEBI:95061; AOB2259; DTXSID10647329; QCR-216; HMS3655P08; HMS3672I15; HMS3747C17; BCP02279; EX-A1373; SGI 1776;SGI1776; BDBM50364776; MFCD16659064; NSC757333; NSC800883; s2198; ZINC68205235; AKOS026750649; CCG-264941; CS-0513; DB12494; NSC-757333; NSC-800883; SB19298; NCGC00263186-01; NCGC00263186-02; NCGC00263186-11; AC-28432; AS-16326; HY-13287; SMR004702864; DB-058820; FT-0702224; SW218133-2; X7567; A25500; J-000709; J-523286; Q27088795; N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-beta]pyridazin-6-amine; N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12494	.	.	405.4	5	C20H22F3N5O	54.7	529	4.3	29	1	8	CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2	"InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)"	MHXGEROHKGDZGO-UHFFFAOYSA-N
DG01543	Apalutamide	24872560	"Apalutamide; ARN-509; 956104-40-8; Erleada; ARN 509; JNJ-56021927; ARN509; Apalutamide (ARN-509); UNII-4T36H88UA7; 4-(7-(6-CYANO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)-8-OXO-6-THIOXO-5,7-DIAZASPIRO[3.4]OCTAN-5-YL)-2-FLUORO-N-METHYLBENZAMIDE; 4T36H88UA7; 956104-40-8 (free base); 4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide; 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzamide; Apalutamide [INN]; AR509; 4-(7-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro(3.4)octan-5-yl)-2-fluoro-N-methylbenzamide; ApalutamideARN509; Erleada (TN); JNJ 56021927; Apalutamide (JAN/INN); MLS006011109; SCHEMBL909297; GTPL9043; C21H15F4N5O2S; CHEMBL3183409; DTXSID40241899; EX-A089; QCR-211; HMS3656N12; AMY24182; BCP05829; AR509/AR-509; BDBM50094975; MFCD22380626; NSC771649; NSC794776; s2840; ZINC43174901; AKOS025401932; CCG-264760; CS-0885; DB11901; NSC-771649; NSC-794776; PB27306; NCGC00346725-01; NCGC00346725-02; NCGC00346725-06; 4-(7-(6-cyano-5-(trifluoroMethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspirooctan-5-yl)-2-fluoro-N-MethylbenzaMide; AC-27403; AS-35181; HY-16060; SMR004702891; SW220300-1; Y0375; 24872560, Erleada, C21H15F4N5O2S; D11040; J-519596; Q21098975; Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11901	DR0121	.	477.4	3	C21H15F4N5O2S	121	886	3	33	1	9	CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F	"InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)"	HJBWBFZLDZWPHF-UHFFFAOYSA-N
DG01544	Niraparib	24958200	"Niraparib; 1038915-60-4; MK-4827; (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide; ZEJULA; MK4827; UNII-HMC2H89N35; MK 4827; 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide; HMC2H89N35; 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide; CHEMBL1094636; Niraparib [USAN:INN]; MK 4827 (Base); 3JD; Niraparib (USAN); Zejula (TN); MK-4827(Niraparib); GTPL8275; SCHEMBL1421875; AMY4192; DTXSID50146129; EX-A290; CHEBI:176844; MK-4827 (PARP-1); 0919AA; BDBM50316226; MFCD17779309; NSC754355; NSC800020; s2741; ZINC43206370; AKOS016004869; BCP9000940; CCG-267709; compound 56 [PMID 19873981]; CS-0780; DB11793; MK-4827/MK4827; NSC-754355; NSC-800020; ZL-2306; NCGC00346435-01; NCGC00346435-04; AC-28447; AS-35248; HY-10619; JNJ-64091742; BCP0726000077; A3617; D10140; A857972; Q25326660; 2-[4-[(3S)-3-Piperidyl]phenyl]indazole-7-carboxamide; 2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide; 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl]"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB11793	DR1164	.	320.4	3	C19H20N4O	72.9	449	2.2	24	2	3	C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N	"InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1"	PCHKPVIQAHNQLW-CQSZACIVSA-N
DG01545	MK-2206	24964624	"MK-2206; 1032349-93-1; UNII-51HZG6MP1K; MK 2206; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one; MK2206; 51HZG6MP1K; CHEMBL1079175; CHEBI:67271; NCGC00186465-01; DSSTox_CID_28874; DSSTox_RID_83143; DSSTox_GSID_48948; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; 1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-;8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol; 8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthy ridin-3(2H)-one; 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; CAS-1032350-13-2; 1032349-77-1; MK-2206 free base; SCHEMBL530721; GTPL7945; DTXSID3048948; BCP20200; Tox21_113368; BDBM50313650; NSC756656; NSC800794; ZINC36382821; AKOS032945686; Tox21_113368_1; BCP9000938; MK 2206;MK2206; NSC-756656; NSC-800794; SB16805; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one; NCGC00186465-02; NCGC00186465-03; NCGC00186465-04; NCGC00186465-08; DB-058959; FT-0738942; A25240; MK2206;MK 2206;MK-2206 dihydrochloride; cas:1032350-13-2;MK 2206; BRD-K68065987-300-02-6; Q25100065; 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl-1,2,4-triazolo[3,4-f][1,6]naphthyridin-3(2H)-one dihydrochloride;MK-2206 Dihydrochloride; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-3(2H)-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:67271	.	.	.	407.5	3	C25H21N5O	83.6	760	3	31	2	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N	"InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)"	ULDXWLCXEDXJGE-UHFFFAOYSA-N
DG01546	Patidegib	25027363	"SARIDEGIB; Patidegib; IPI-926; 1037210-93-7; IPI 926; UNII-JT96FPU35X; JT96FPU35X; CHEMBL538867; N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'-yl)methanesulfonamide; N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide; Patidegib [USAN:INN]; Saridegib [Rescinded USAN]; Patidegib (USAN); IP9 FREE BASE; FIN-5; IPI-926 FREE BASE; SCHEMBL421999; GTPL8198; IP-9; DTXSID40146032; CHEBI:177425; Saridegib (IPI-926; Patidegib); WHO 9619; BDBM50293788; ZINC43197072; DB12655; HY-16587; CS-0007501; D10324; Q15426668; Methanesulfonamide, N-((2S,3R,3'R,3aS,4'aR,6S,6'aR,6'bS,7aR,12'aS,12'bS)- 2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethylspiro(furo(3,2-b)pyridine-2(3H),9'(1'H)-naphth(2,1-a)azulen)-3'-yl)-; N-((2S,3R,3aS,3''R,4a''R,6S,6a''R,6b''S,7aR,12a''S,12b''S)-3,6,11'',12b''-tetramethyl-2'',3a,3'',4,4'',4a'',5,5'',6,6'',6a'',6b'',7,7a,7'',8'',10'',12'',12a'',12b''-icosahydro-1''H,3H-spiro[furo[3,2-b]pyridine-2,9''-naphtho[2,1-a]azulene]-3''-yl)methanesulfonamide; N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-3-yl]methanesulonamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12655	.	.	504.8	2	C29H48N2O3S	75.8	988	4.6	35	2	5	C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1	"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1"	HZLFFNCLTRVYJG-WWGOJCOQSA-N
DG01547	PF-04691502	25033539	"PF-04691502; 1013101-36-4; PF 04691502; 2-amino-8-((1r,4r)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; PF04691502; UNII-4W39NS61KI; 4W39NS61KI; CHEMBL1234354; PF-4691502; 2-Amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one; 2-Amino-8-[trans-4-(2-Hydroxyethoxy)cyclohexyl]-6-(6-Methoxypyridin-3-Yl)-4-Methylpyrido[2,3-D]pyrimidin-7(8h)-One; 2-Amino-8-(cis-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; 2-Amino-8-(cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one; 4tv3; MLS006010979; GTPL7936; SCHEMBL1381425; SCHEMBL1381431; SCHEMBL1984896; SCHEMBL10092210; SCHEMBL13976989; EX-A032; QCR-137; HMS3656B21; AOB87714; BCP02895; BDBM50380313; MFCD18782794; NSC760536; NSC800846; s2743; ZINC58660483; AKOS005266645; AKOS030257531; ZINC100015733; ZINC117704832; CCG-268947; CS-0919; DB11974; NSC-760536; NSC-800846; SB20066; NCGC00346659-01; NCGC00381752-02; NCGC00381752-06; AC-28429; AS-17042; HY-15177; SMR004702782; BCP0726000275; PF4691502; SW220185-1; X7464; US8633204, 286; J-000360; PF-04691502, >=98% (HPLC); Q27088316; 2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one; Pyrido(2,3-d)pyrimidin-7(8H)-one, 2-amino-8-(trans-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-; trans-2-Amino-8-((1R,4R)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11974	.	.	425.5	6	C22H27N5O4	124	654	1.6	31	2	8	CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC	"InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)"	XDLYKKIQACFMJG-UHFFFAOYSA-N
DG01548	Momelotinib	25062766	"Cyt387; 1056634-68-4; MOMELOTINIB; Cyt-387; CYT 387; N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide; CYT 11387; UNII-6O01GMS00P; N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide; Momelotinib (CYT387); N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide; 6O01GMS00P; CHEMBL1078178; CYT11387; N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide; N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide; CYT-11387; MFCD16038899; GS-0387; LM-1149; N-(Cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide; N-(cyanomethyl)-4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzamide; Benzamide, N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)-; Momelotinib [USAN:INN]; momelotinibum; benzamide, n-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-; C87; Momelotinib (USAN/INN); MLS006011154; GTPL7791; SCHEMBL2237234; CHEBI:91407; AOB4616; EX-A260; QCR-259; SYN1035; HMS3244K19; HMS3244K20; HMS3244L19; HMS3295I01; HMS3655D12; HMS3744C15; BCP02328; CYT-0387; CYT387, CYT11387; CYT387,CYT 11387; Momelotinib (CYT387,CYT-387); BDBM50311017; NSC767598; NSC800800; s2219; ZINC43199890; AKOS015904624; N-(Cyanomethyl)-4-[2-[(4-morpholinophenyl)amino]-4-pyrimidinyl]benzamide; BCP9000570; CCG-264946; CS-0053; DB11763; LS41099; NSC-767598; NSC-800800; SB14602; NCGC00244257-01; NCGC00244257-08; AC-23162; AS-19389; HY-10961; SMR004702928; SY060668; FT-0755949; SW219679-1; X7506; D10315; A857769; Q252602; J-001468; J-523159; BRD-K87737963-001-01-1; N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide; N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide; N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide; Benzamide,N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]-; N-(Cyanomethyl)-4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]benzamide;CYT387"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:91407	DB11763	DR1880	.	414.5	6	C23H22N6O2	103	615	2.6	31	2	7	C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N	"InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)"	ZVHNDZWQTBEVRY-UHFFFAOYSA-N
DG01549	AZ960	25099184	"905586-69-8; AZ 960; AZ-960; AZ960; UNII-M63IS9PTJF; (S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile; M63IS9PTJF; (S)-5-fluoro-2-((1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)nicotinonitrile; CHEMBL1774055; 5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile; C18H16F2N6; 5-Fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-3-pyridinecarbonitrile; 5-fluoro-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile; MLS006011063; GTPL8476; SCHEMBL14840365; DTXSID60238201; SYN1015; BCPP000371; BCP27683; EX-A1802; AZ 960;AZ960; BDBM50343725; s2214; ZINC43205072; AKOS027420925; BCP9000348; CCG-268082; CS-6209; NCGC00346581-01; NCGC00346581-02; NCGC00346581-04; NCGC00346581-06; 3-Pyridinecarbonitrile, 5-fluoro-2-(((1S)-1-(4-fluorophenyl)ethyl)amino)-6-((5-methyl-1H-pyrazol-3-yl)amino)-; AC-32981; AS-74896; HY-10411; SMR004702855; SW219623-1; X7504; A19389; C77068; 586F698; J-502242; Q27074679; (R)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile; (S)-5-Fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino) nicotinonitrile; (S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile;AZ 960"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	354.4	5	C18H16F2N6	89.4	503	4.4	26	3	7	CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F	"InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1"	SUNXHXDJOIXABJ-NSHDSACASA-N
DG01550	Poziotinib	25127713	"Poziotinib; 1092364-38-9; UNII-OEI6OOU6IK; HM781-36B; NOV120101; NOV-120101; 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one; OEI6OOU6IK; 1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one; HM-781-36B; 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one; MFCD28044290; HM 781-36B; HM-781-36; 2-Propen-1-one, 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-; 1-(4-(4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one; Poziotinib [INN]; 1-[4-({4-[(3,4-DICHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL}OXY)PIPERIDIN-1-YL]PROP-2-EN-1-ONE; HM-78136B; Poziotinib [USAN]; C23H21Cl2FN4O3; Poziotinib (HM781-36B); GTPL7903; SCHEMBL3391764; CHEMBL3545154; DTXSID80148853; EX-A528; HMS3673K03; AMY24248; BCP08270; NOV-1201; WHO 9736; BDBM50468247; NSC783296; NSC800856; s7358; ZINC95930125; AKOS026674078; CCG-264748; CS-3942; DB12114; NOV 120101; NSC-783296; NSC-800856; SB16882; NCGC00386427-01; NCGC00386427-02; AC-29021; AS-74851; BP161454; DA-47945; HY-15730; SY235762; HM 781-36; B5827; FT-0752903; A13044; J-690026; Q27088426; 1-[4-[4-(3,4-Dichloro-2-fluorophenylamino)-7-methoxyquinazoline-6-yloxy]-1-piperidinyl]-2-propene-1-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12114	.	.	491.3	6	C23H21Cl2FN4O3	76.6	684	5.4	33	1	7	COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C	"InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)"	LPFWVDIFUFFKJU-UHFFFAOYSA-N
DG01551	Omipalisib	25167777	"Omipalisib; 1086062-66-9; GSK2126458; GSK-2126458; GSK 2126458; 2,4-difluoro-N-(2-methoxy-5-(4-(pyridazin-4-yl)quinolin-6-yl)pyridin-3-yl)benzenesulfonamide; 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide; UNII-1X8F5A3NA0; 2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide; 1X8F5A3NA0; Omipalisib (GSK2126458, GSK458); C25H17F2N5O3S; 2,4-difluoro-N-(2-(methyloxy)-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)benzenesulfonamide; GSK-212; Omipalisib [USAN:INN]; GSK458; GSK 212; 2,4-difluoro-N-{2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide; Omipalisib (USAN/INN); MLS006011258; Omipalisib; GSK2126458; SCHEMBL623194; GTPL8974; Omipalisib (GSK2126458); CHEMBL1236962; CHEBI:95093; DTXSID10148604; EX-A003; GSK-458; SYN1126; 3l08; HMS3656D09; AOB87781; BCP02252; BDBM50145416; MFCD16038929; NSC764092; NSC800807; s2658; ZINC43208634; AKOS015904655; CCG-264973; CS-0085; DB12703; NSC-764092; NSC-800807; QC-7243; SB16572; NCGC00250408-01; NCGC00250408-05; AC-28458; AS-16266; Benzenesulfonamide, 2,4-difluoro-N-(2-methoxy-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)-; GSK2126458 (GSK458); HY-10297; SMR004703011; FT-0669061; SW219502-1; X7449; A25172; D10718; GSK-2126458;GSK 2126458; Omipalisib; J-507217; Q27088179; N-[2-Methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide; ZIG"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:95093	DB12703	.	.	505.5	6	C25H17F2N5O3S	115	833	3.3	36	1	10	COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F	"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3"	CGBJSGAELGCMKE-UHFFFAOYSA-N
DG01552	Tepotinib	25171648	"Tepotinib; 1100598-32-0; EMD-1214063; EMD 1214063; MSC2156119J; UNII-1IJV77EI07; EMD1214063; MSC2156119; 1IJV77EI07; 3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile; Tepotinib (EMD 1214063); MSC-2156119J; MSC-2156119; 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; Benzonitrile, 3-[1,6-dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]-; C29H28N6O2; Tepotinib [INN]; 3-[1-(3-{5-[(1-Methylpiperidin-4-Yl)methoxy]pyrimidin-2-Yl}benzyl)-6-Oxo-1,6-Dihydropyridazin-3-Yl]benzonitrile; Benzonitrile, 3-(1,6-dihydro-1-((3-(5-((1-methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)phenyl)methyl)-6-oxo-3-pyridazinyl)-; Tepmetko; Tepotinib [USAN]; Tepotinib (USAN/INN); MLS006010785; GTPL8293; SCHEMBL1296895; Tepotinib(EMD-1214063); CHEMBL3402762; AOB5729; DTXSID70149132; EX-A394; WHO 9934; BDBM50065457; MFCD18452823; NSC758244; NSC781256; NSC800945; s7067; ZINC43202335; CCG-269632; CS-0647; DB15133; NSC-758244; NSC-781256; NSC-800945; SB16609; compound 22 [PMID: 25736998]; NCGC00345793-01; NCGC00345793-08; AS-16915; Benzonitrile, 3-[1,6-Dihydro-1-[[3-[5-[(1-Methyl-4-Piperidinyl)Methoxy]-2-PyriMidinyl]Phenyl]Methyl]-6-Oxo-3-Pyridazinyl]; HY-14721; QC-11720; SMR004701471; Y0358; D11717; J-002366; Q27088961; 1100598-30-8; 3-(1-(3-(5-((1-Methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)benzyl)-6-oxo-1,6-dihydro-3-pyridazinyl)benzonitrile; 3-(1-{3-[5-(1-methylpiperidin-4-yl-methoxy)pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; 3-(1-{3-[5-(1-methylpiperidin-4-ylmethoxy)pyrimidin-2-yl]benzyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile; 3-[1,6-Dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]benzonitrile; 3E8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB15133	.	.	492.6	7	C29H28N6O2	94.7	880	3.4	37	0	7	CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N	"InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3"	AHYMHWXQRWRBKT-UHFFFAOYSA-N
DG01553	Glesatinib	25181472	"Glesatinib; 936694-12-1; MG90265gly; UNII-7Q29OXD98N; 7Q29OXD98N; MG90265X; MG90265H9; MG90265; N-((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)carbamothioyl)-2-(4-fluorophenyl)acetamide; N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide; Glesatinib free base; Glesatinib [USAN]; Glesatinib (USAN/INN); SCHEMBL106319; GTPL9133; CHEMBL3989914; EX-A4139; MG-90265X; NSC791059; ZINC113139653; DB06302; NSC-791059; SB19664; compound 10a [PMID: 18434145]; NCGC00483925-01; AC-31426; HY-19642; MG-90265; CS-0016148; D11136; A857537; Q27895580; Benzeneacetamide, 4-fluoro-N-(((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)-2-pyridinyl)thieno(3,2-b)pyridin-7-yl)oxy)phenyl)amino)thioxomethyl)-; N-((3-fluoro-4-((2-(5-(((2-methoxyethyl)amino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yl)oxy)phenyl)carbamothioyl)-2-(4-fluorophenyl)acetamid; N-(3-fluoro-4-(2-(5-((2-methoxyethylamino)methyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-(4-fluorophenyl)acetamide; N-(3-fluoro-4-(2-(5-((2-methoxyethylamino)methyl)pyridin-2-yl)thieno[3,2-b]pyridine-7-yloxy)phenylcarbamothioyl)-2-(4-fluorophenyl)acetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB06302	.	.	619.7	11	C31H27F2N5O3S2	158	902	5.1	43	3	10	COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F	"InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)"	YRCHYHRCBXNYNU-UHFFFAOYSA-N
DG01554	Mps1-IN-1	25195352	"Mps1-IN-1; 1125593-20-5; 1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol; 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol; 1-(4-((4-((2-(isopropylsulfonyl)phenyl)amino)-1H-pyrrolo[2,3-b]pyridin-6-yl)amino)-3-methoxyphenyl)piperidin-4-ol; 1MPS1-IN-1; 3gfw; MLS003230944; GTPL9271; SCHEMBL4051419; CHEMBL1235786; BDBM36485; CHEBI:91379; DTXSID60649015; AVB59320; BCP27688; 3868AH; ZINC58661129; CS-3776; QC-8177; NCGC00387463-01; NCGC00387463-04; HY-13298; SMR001913509; A925638; J-503190; Q27087728; 1-(3-methoxy-4-{[4-({2-[(1-methylethyl)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino}phenyl)piperidin-4-ol; 1-[3-Methoxy-4-({4-[2-(propane-2-sulfonyl)anilino]-1H-pyrrolo[2,3-b]pyridin-6-yl}amino)phenyl]piperidin-4-ol; s22"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	535.7	8	C28H33N5O4S	128	862	5.3	38	4	8	CC(C)S(=O)(=O)C1=CC=CC=C1NC2=CC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)N5CCC(CC5)O)OC	"InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)"	NMJMRSQTDLRCRQ-UHFFFAOYSA-N
DG01555	Capivasertib	25227436	"AZD5363; capivasertib; 1143532-39-1; AZD-5363; AZD 5363; UNII-WFR23M21IE; (S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE; WFR23M21IE; 4-Amino-N-[(1s)-1-(4-Chlorophenyl)-3-Hydroxypropyl]-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidine-4-Carboxamide; 4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-; 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide; C21H25ClN6O2; CHEMBL2325741; cc-638; 4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidine-4-carboxamide; Capivasertib (JAN/USAN); Capivasertib (AZD5363); MLS006011179; SCHEMBL390243; GTPL7709; AZC5363; DTXSID40150710; EX-A285; US10654855, Example 9; BDBM443385; 2241AH; MFCD22628785; NSC764039; NSC782347; NSC799347; s8019; ZINC43204023; AKOS027323693; BCP9000365; CCG-268989; CS-1284; DB12218; NSC-764039; NSC-782347; NSC-799347; NCGC00345795-01; NCGC00345795-04; AC-32685; HY-15431; SMR004702948; BCP0726000111; A1387; SW220158-1; D11371; J-514447; Q27074756; 0XZ; ALTERNATIVE ROUTE 1: (S)-4-AMINO-N-(1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12218	.	.	428.9	6	C21H25ClN6O2	120	580	1.7	30	4	6	C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4	"InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1"	JDUBGYFRJFOXQC-KRWDZBQOSA-N
DG01556	Apitolisib	25254071	"Apitolisib; 1032754-93-0; GDC-0980; GDC0980; RG7422; GNE 390; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one; GDC-0980 (Apitolisib); UNII-1C854K1MIJ; RG 7422; GDC-0980 (RG7422); GDC 0980; 1C854K1MIJ; CHEMBL1922094; Apitolisib (GDC-0980, RG7422); RG-7422; (2s)-1-(4-{[2-(2-Aminopyrimidin-5-Yl)-7-Methyl-4-(Morpholin-4-Yl)thieno[3,2-D]pyrimidin-6-Yl]methyl}piperazin-1-Yl)-2-Hydroxypropan-1-One; C23H30N8O3S; (2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one.; GNE 390; GDC 0980; RG 7422; Apitolisib [USAN:INN]; Apitolisib (USAN/INN); Apitolisib(GDC-0980); Gne-390; Apitolisib (GDC-0980); SCHEMBL466297; GTPL7888; DTXSID50145738; EX-A041; QCR-182; SYN1150; AOB87742; BCP02622; BDBM50358204; GDC-0980,RG7422; GDC0980(RG7422); MFCD20274520; NSC764091; NSC799334; s2696; ZINC59224388; AKOS027250725; BCP9000717; CCG-269678; CS-0590; DB12180; GDC-0980.1; NSC-764091; NSC-799334; GDC-0980 - RG7422; NCGC00263109-03; NCGC00263109-13; (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperaz; AS-16289; HY-13246; SW219472-1; X7458; D10543; CAS:1032754-93-0;GDC-0980; G-038390; GDC-0980,CAS:1032754-93-0; J-502360; Q27074481; G-038390.1; (S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1 -one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12180	.	.	498.6	5	C23H30N8O3S	162	715	0.2	35	2	11	CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)O	"InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1"	YOVVNQKCSKSHKT-HNNXBMFYSA-N
DG01557	WYE-125132	25260757	"1144068-46-1; WYE-125132; WYE125132; WYE-132; N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea; WYE 125132; CHEMBL601661; WYE-125132 (WYE-132); 1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea; 1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea; N-[4-[1-(1,4-Dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]-oct-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-N'-methylurea; 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-methylurea; SCHEMBL54355; MLS006011010; WYE132; CHEBI:91364; DTXSID70649521; HMS3265K19; HMS3265K20; HMS3265L19; HMS3265L20; HMS3656J09; AOB87378; BCP02227; EX-A2183; BDBM50306633; s2661; AKOS025405223; CCG-269851; CS-0066; SB19261; NCGC00346635-01; NCGC00346635-10; AC-31521; HY-10044; SMR004702808; Urea, N-[4-[1-(1,4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3,4-d]; WYE-132; WYE-125132; SW219487-1; WYE-125132 - WYE-132; A25638; J-003090; J-523341; BRD-A45498368-001-02-2; Q27163233; 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-methylurea; N-[1-(1.4-dioxaspiro[4.5]dec-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazolo[3.4-d]pyrimidin-6-yl]phenyl]-N-methyl-urea; N-{4-[1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-N'-methylurea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	519.6	4	C27H33N7O4	116	829	2.2	38	2	8	CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7	"InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)"	QLHHRYZMBGPBJG-UHFFFAOYSA-N
DG01558	II-B08	25262527	"1143579-78-5; II-B08; CHEMBL590043; 3-(1-(3-([1,1'-Biphenyl]-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid; 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid; 3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic Acid; SCHEMBL13883165; II- B08; BDBM50308158; MFCD32645102; F51980; Q27461817; 3-(1-(3-([1,1'-BiPh]-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-Ph-1H-indole-5-carboxylic acid; 6-hydroxy-1-methyl-3-[1-[3-oxo-3-(4-phenylanilino)propyl]triazol-4-yl]-2-phenylindole-5-carboxylic acid; JZG"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	557.6	8	C33H27N5O4	122	916	5.2	42	3	6	CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O)O	"InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)"	RATFAFAWIWHLMR-UHFFFAOYSA-N
DG01559	ER2	42626654	ER2	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	355.7	0	Fe4H4S4-4	4	8	.	8	4	4	[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe]	InChI=1S/4Fe.4H2S/h;;;;4*1H2/p-4	PTTXNOSMDBWCQD-UHFFFAOYSA-J
DG01560	ALW-II-41-27	42628503	"ALW-II-41-27; 1186206-79-0; N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)nicotinamide; ALW II-41-27; Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[[5-(2-thienyl)-3-pyridinyl]carbonyl]amino]-; N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide; MLS002232274; CHEMBL556140; SCHEMBL20136698; DTXSID80655254; BDBM163701; HMS2043H01; HMS2218G07; HMS3333E20; BCP26205; EX-A2618; s6515; ZINC42966573; Eph receptor tyrosine kinase inhibitor; CS-1203; NCGC00390558-01; AS-78559; BA164807; HY-18007; SMR001307828; A907856; N-[5-({4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)-2-methylphenyl]-5-(thiophen-2-yl)pyridine-3-carboxamide; N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)-2-methylphenyl]-5-(thiophen-2-yl)pyridine-3-carboxamide (6)"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	607.7	8	C32H32F3N5O2S	106	933	5.1	43	2	9	CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F	"InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)"	HYWXBDQAYLPMIX-UHFFFAOYSA-N
DG01561	CCT196969	42628843	"CCT196969; 1163719-56-9; 1-(3-(tert-butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-((3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy)phenyl)urea; CHEMBL4216588; 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea; GTPL9815; SCHEMBL3761639; BCP19551; EX-A1598; BDBM50457449; MFCD28384201; s7743; ZINC43205799; AKOS027422849; CCG-269799; CCT-196969; CS-6229; HY-12846; 1-(3-(t-Butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-((3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy)phenyl)urea; 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	513.5	6	C27H24FN7O3	123	877	4.2	38	3	7	CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5	"InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)"	KYYKGSDLXXKQCR-UHFFFAOYSA-N
DG01562	A66	42636535	"1166227-08-2; A66; A 66; (S)-N1-(2-(tert-butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide; CHEMBL3218581; C17H23N5O2S2; A-66; (2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide; (2S)-N1-[2-(tert-Butyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide; MLS006010983; SCHEMBL14833311; CHEBI:91449; AOB2329; DTXSID80655299; BCPP000449; BCP03474; EX-A1124; BDBM50042922; s2636; ZINC43206649; AKOS025293511; BA41291; BCP9000211; CCG-268577; CS-0477; A66, >=98% (HPLC); AC-33133; AS-74623; HY-13261; SMR004702785; BCP0726000206; A 66; A-66; SW218196-2; X7447; C71541; J-501023; Q27163295; (2S)-N1-(5-(2-tert-butylthiazol-4-yl)-4-methylthiazol-2-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N1-[5-(2-tert-butyl-4-thiazolyl)-4-methyl-2-thiazolyl]pyrrolidine-1,2-dicarboxamide; (S)-N1-(2-tert-butyl-4'-methyl-4,5'-bithiazol-2'-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N~1~-(2-tert-Butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide; (2S)-N1-[2-(1,1-Dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-1,2-pyrrolidinedicarboxamide; (2S)-N1-[5-(2-TERT-BUTYL-1,3-THIAZOL-4-YL)-4-METHYL-1,3-THIAZOL-2-YL]PYRROLIDINE-1,2-DICARBOXAMIDE; 1,2-Pyrrolidinedicarboxamide, N1-[2-(1,1-dimethylethyl)-4'-methyl[4,5'-bithiazol]-2'-yl]-, (2S)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	393.5	4	C17H23N5O2S2	158	556	2.8	26	2	6	CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(C)C	"InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1"	HBPXWEPKNBHKAX-NSHDSACASA-N
DG01563	Foretinib	42642645	"Foretinib; 849217-64-7; GSK1363089; XL880; EXEL-2880; Foretinib (GSK1363089); XL-880; GSK 1363089; XL 880; GSK089; EXEL 2880; GSK-1363089; UNII-81FH7VK1C4; 81FH7VK1C4; GSK-089; GSK1363089G; 937176-80-2; N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; C34H34F2N4O6; 88Z; n-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; N-(3-Fluoro-4-{[6-Methoxy-7-(3-Morpholin-4-Ylpropoxy)quinolin-4-Yl]oxy}phenyl)-N'-(4-Fluorophenyl)cyclopropane-1,1-Dicarboxamide; N-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(3-Fluoro-4-((6-methoxy-7-(3-(morpholin-4-yl)propoxy)quinolin-4-yl)oxy)phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl]oxy)phenyl}-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; Foretinib(XL880); xl-880, Foretinib; Foretinib (USAN/INN); Foretinib [USAN:INN]; MLS006010302; SCHEMBL371804; Foretinib - GSK1363089; GTPL5679; QCR-49; CHEMBL1230609; CHEBI:91418; AOB6031; DTXSID20918193; EX-A050; SYN1129; BCPP000236; HMS3295K13; HMS3654G04; BCP02231; BDBM50399540; GSK 1363089G; GSK-1363089G; MFCD16038048; NSC755775; NSC800101; s1111; ZINC43204048; Foretinib,XL880, GSK1363089; AKOS015904319; BCP9000675; CCG-270292; CS-0153; DB12307; NSC-755775; NSC-800101; PB27007; SB20469; Foretinib (GSK1363089, XL880); NCGC00263104-01; NCGC00263104-10; AC-25081; AS-16268; HY-10338; SMR003599144; SW219390-1; W8766; EC-000.2326; A25642; D09618; XL880, GSK1363089G, Exel 2880; J-523004; Q5469311; BRD-K03449891-001-01-1; 1,1-Cyclopropanedicarboxamide, N-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-N'-(4-fluorophenyl)-; 1-N'-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; GSK1363089;EXEL-2880;Foretinib;N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide;Foretinib; N-(4-(7-(3-MORPHOLINOPROPOXY)-6-METHOXYQUINOLIN-4-YLOXY)-3-FLUOROPHENYL)-N-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE; N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin 4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[3-Fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboximidic acid"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:91418	DB12307	.	.	632.7	12	C34H34F2N4O6	111	1010	5.5	46	2	10	COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F	"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)"	CXQHYVUVSFXTMY-UHFFFAOYSA-N
DG01564	CCT241161	44132853	"CCT241161; 1163719-91-2; CHEMBL4204895; 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea; 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea; GTPL9814; SCHEMBL3173602; BDBM50457448; CCT241161 pan RAF/SFK inhibitor; AKOS037653304; GS-9003"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	541.6	7	C28H27N7O3S	148	893	4.6	39	3	7	CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)SC)C5=CC=CC=C5	"InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)"	DPMYVVGAYAPQNS-UHFFFAOYSA-N
DG01565	AZD-6482	44137675	"AZD6482; 1173900-33-8; AZD-6482; AZD 6482; (R)-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoic acid; CHEMBL2165191; 2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid; UNII-78G6MP5PZ5; 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid; 78G6MP5PZ5; 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid; 2-({(1R)-1-[7-Methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoic acid; 4urk; 2-(((1R)-1-(7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl)ethyl)amino)benzoic acid; 2-{[(1R)-1-[7-methyl-2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid; 2-[[(1r)-1-(7-Methyl-2-Morpholin-4-Yl-4-Oxidanylidene-Pyrido[1,2-A]pyrimidin-9-Yl)ethyl]amino]benzoic Acid; MLS006010986; GTPL8059; SCHEMBL1812377; CHEBI:91359; AOB3536; DTXSID00657619; KIN 193; KIN-193; AZD 6482 [WHO-DD]; ACT06822; EX-A1807; 2243AH; BDBM50395821; MFCD16659062; NSC799349; s1462; ZINC38628584; AKOS015935014; BCP9000355; CCG-268743; CS-0086; DB14980; NSC-799349; NCGC00263154-01; AC-32792; AS-74808; HY-10344; SMR004702788; SW219187-1; J-507622; BRD-K58772419-001-01-3; Q27074771; (-) 2-{[(1R)-1-(7-Methyl-2-morpholin-4-yl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino}benzoic acid; (-)-2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid; (R)-2-((1-(7-Methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl)amino)benzoic acid; 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1.2-a]pyrimidin-9-yl]ethyl]amino]-benzoic acid; Benzoic acid, 2-[[(1R)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]-"	Terminated	10	Discontinued Drug(s)	Terminated	Small molecular drug	.	CHEBI:91359	DB14980	.	.	408.4	5	C22H24N4O4	94.5	838	2	30	2	7	CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4	"InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1"	IRTDIKMSKMREGO-OAHLLOKOSA-N
DG01566	Refametinib	44182295	"Refametinib; 923032-37-5; RDEA119; RDEA 119; BAY 869766; UNII-JPX07AFM0N; (S)-N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; JPX07AFM0N; Refametinib (RDEA119); BAY-869766; BAY 8697661; Refametinib (RDEA119, Bay 86-9766); N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; Refametinib R enantiomer; Refametinib [INN]; BAY 86-9766; RDEA-119; 3e8n; BAY 86-97661; Refametinib; RDEA119; SCHEMBL345333; C19H20F3IN2O5S; GTPL7942; Refametinib (BAY86-9766); CHEMBL1236682; DTXSID40238961; BDBM520650; 923032-38-6; AOB87134; EX-A2481; 2254AH; MFCD18633256; NSC800864; s1089; ZINC39187987; AKOS025401896; BAY86-9766; CCG-270103; CS-1818; DB06309; NSC-800864; BAY 86-9766;RDEA119; BAY-86-9766; BAY-8697661; NCGC00188380-01; NCGC00188380-02; NCGC00188380-03; AC-26962; AS-16994; Cyclopropanesulfonamide, N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-((2S)-2,3-dihydroxypropyl)-; HY-14691; SW218136-2; J3.661.482J; F51934; US11147816, Refametinib (RDEA119, Bay; Q27088526; BAY 869766;BAY 86-97661;RDEA-119;RDEA119; (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; 923032-36-4; N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide; RDEA-119 S enantiomer; ; ; BAY-86-9766 S enantiomer; ; ; N-[3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide; VRA"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB06309	DR1879	.	572.3	9	C19H20F3IN2O5S	116	711	2.8	31	4	10	COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F	"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1"	RDSACQWTXKSHJT-NSHDSACASA-N
DG01567	Pimasertib	44187362	"Pimasertib; 1236699-92-5; AS703026; AS-703026; Pimasertib (AS-703026); MSC1936369B; AS 703026; UNII-6ON9RK82AL; 1204531-26-9; 6ON9RK82AL; SAR 245509; MSC-1936369; N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodo-anilino)pyridine-4-carboxamide; N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide; C15H15FIN3O3; (S)-N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-iodophenylamino)isonicotinamide; (S)-N-(2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)isonicotinamide; (S)-N-(2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)isonicotinamide.; 4-Pyridinecarboxamide, N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)-; 4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-; N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)pyridine-4-carboxamide; N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide; Pimasertib [USAN:INN]; Pimasertib (USAN/INN); Pimasertib; AS703026; N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide; MLS006010177; GTPL7872; QCR-17; SCHEMBL2720659; CHEMBL2107832; CHEBI:94793; DTXSID40152870; EX-A403; SYN1190; BCPP000386; AOB87391; BCP02094; MSC1936369A; BDBM50014412; MSC-1936369A; NSC755763; NSC800854; ZINC38226009; AKOS022186348; BCP9000325; CCG-269018; CS-0198; DB14904; NSC-755763; NSC-800854; EMD 1036239; EMD-1036239; NCGC00346530-01; AC-32862; AS-16324; HY-12042; SMR004701285; AS703026,MSC1936369B; SW219691-1; X7392; C71933; D10426; A857420; J-523298; BRD-K89014967-001-01-9; Q27088393; G-02443714; AS7030261236699-92-5; AS-703026;N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide;AS-703026"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:94793	DB14904	DR1835	.	431.2	6	C15H15FIN3O3	94.5	391	1.7	23	4	6	C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NC[C@@H](CO)O	"InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1"	VIUAUNHCRHHYNE-JTQLQIEISA-N
DG01568	TAK-441	44187367	"TAK-441; 1186231-83-3; UNII-CY3QT94KWP; CY3QT94KWP; CHEMBL2205230; 6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide; TAK 441; GTPL8200; SCHEMBL1061476; BCP20946; BDBM50401323; NSC771858; ZINC43207688; NSC-771858; SB18887; LM2094; TAK441; TAK 441; Q27088929; 6-ethyl-N-(1-(2-hydroxyacetyl)piperidin-4-yl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	576.6	9	C28H31F3N4O6	121	1020	2.6	41	2	9	CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4	"InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)"	ZADWXQMNNVICKB-UHFFFAOYSA-N
DG01569	IWR-1	44483163	"IWR-1-endo; IWR-1; 1127442-82-3; endo-IWR-1; CHEBI:62882; CHEMBL562310; 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide; C25H19N3O3; IWR1-endo; exo-IWR 1; rel-4-((3aR,4S,7R,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamide; IWR-1 endo; 4tkf; 4-((3aR,4S,7R,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamide; IRW1; SCHEMBL15315470; EX-A642; BCP05700; ZINC2483738; 1806AH; 2489AH; BDBM50007583; MFCD18086875; NSC756646; CCG-208104; NSC-756646; IWR-1, >=98% (HPLC); HY-12238; rel-4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide; B2306; C71420; BRD-K61314889-001-01-0; Q27132252; 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide; 4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide; Benzamide, 4-[(3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinyl-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	409.4	3	C25H19N3O3	79.4	772	2.9	31	1	4	C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6	"InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+"	ZGSXEXBYLJIOGF-ALFLXDJESA-N
DG01570	NMS-P715	44556162	"NMS-P715; 1202055-32-0; CHEMBL1236095; N-(2,6-Diethylphenyl)-1-Methyl-8-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]-2-(Trifluoromethoxy)phenyl}amino)-4,5-Dihydro-1h-Pyrazolo[4,3-H]quinazoline-3-Carboxamide; N-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide; NMSP715; GTPL9401; NMS P715; SCHEMBL1558596; NMSP715; NMSP 715; BCP28244; NMS P715;NMS-P 715; BDBM50349102; ZINC58649424; CS-3396; compound 15 [PMID: 21723120]; NCGC00390549-01; AC-30241; HY-12382; B5819; FT-0702072; A910501; Q27465504; 1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, N-(2,6-diethylphenyl)-4,5-dihydro-1-methyl-8-[[4-[[(1-methyl-4-piperidinyl)amino]carbonyl]-2-(trifluoromethoxy)phenyl]amino]-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	676.7	9	C35H39F3N8O3	126	1110	6.2	49	3	11	CCC1=C(C(=CC=C1)CC)NC(=O)C2=NN(C3=C2CCC4=CN=C(N=C43)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C)OC(F)(F)F)C	"InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)"	JFOAJUGFHDCBJJ-UHFFFAOYSA-N
DG01571	Merestinib	44603533	"Merestinib; 1206799-15-6; LY2801653; LY-2801653; N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide; UNII-5OGS5K699E; Merestinib (LY2801653); 5OGS5K699E; N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide; N-(3-Fluoro-4-{[1-Methyl-6-(1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]oxy}phenyl)-1-(4-Fluorophenyl)-6-Methyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide; C30H22F2N6O3; N-(3-Fluoro-4-(1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yloxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide; N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarboxamide; Merestinib [USAN]; L1X; Merestinib (USAN/INN); SCHEMBL679002; LY2801653 (Merestinib); GTPL9841; CHEMBL3545307; DTXSID20659635; QCR-139; SYN1222; HMS3741E21; BCP06826; EX-A1264; 3797AH; BDBM50172078; NSC772197; NSC800788; s7014; ZINC95926668; AKOS027323283; CCG-270011; CS-1192; DB12381; NSC-772197; NSC-800788; SB16550; NCGC00378921-02; NCGC00378921-07; 3-Pyridinecarboxamide, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-; AS-16348; DA-21192; HY-15514; FT-0745076; LY 2801653; J3.563.073B; D11763; Q27262653"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12381	.	.	552.5	6	C30H22F2N6O3	105	1050	4.7	41	2	7	CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F	"InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)"	QHADVLVFMKEIIP-UHFFFAOYSA-N
DG01572	WZ4002	44607530	"WZ4002; 1213269-23-8; WZ-4002; N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide; WZ 4002; UNII-6BQ432Z61M; CHEBI:61400; CHEMBL1229592; 6BQ432Z61M; N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide; N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide; N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide; SMR001913510; SCHEMBL93699; MLS003230945; MLS006011213; AMY370; GTPL9176; QCR-55; DTXSID30153230; EX-A416; HMS3265O15; HMS3265O16; HMS3265P15; HMS3265P16; HMS3654C16; BCP02515; BDBM50383274; NSC755927; s1173; ZINC52509385; AKOS025401946; CCG-264847; CS-0167; NSC-755927; SB19360; NCGC00263144-01; NCGC00263144-02; NCGC00263144-11; AC-27472; AS-19387; DA-47168; HY-12026; N-(3-((5-chloro-2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)oxy)phenyl)acrylamide; N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide; WZ4002, >=98% (HPLC); FT-0730384; SW219315-1; X7482; EC-000.2280; A25634; J-004480; J-523322; Q27089236; N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazine-1-yl)phenylamino)pyrimidin-4yloxy)phenyl)acrylam; N-[3-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide HBr"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	495	8	C25H27ClN6O3	91.8	694	4.2	35	2	8	CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC	"InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)"	ITTRLTNMFYIYPA-UHFFFAOYSA-N
DG01573	DS-7423	45378170	"DS-7423; 5-{8-[(3R)-4-Acetyl-3-methylpiperazin-1-yl]-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)-9H-purin-2-yl}pyrimidin-2-amine; SCHEMBL336466; HY-124036; CS-0084006"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	520.5	4	C22H27F3N10O2	131	795	0.9	37	1	13	C[C@@H]1CN(CCN1C(=O)C)C2=NC3=C(N2CC(F)(F)F)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N	"InChI=1S/C22H27F3N10O2/c1-13-11-33(3-4-34(13)14(2)36)21-29-16-18(32-5-7-37-8-6-32)30-17(15-9-27-20(26)28-10-15)31-19(16)35(21)12-22(23,24)25/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27,28)/t13-/m1/s1"	SOJJMSYMCLIQCZ-CYBMUJFWSA-N
DG01574	TAK-632	46209401	"TAK-632; 1228591-30-7; TAK632; N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide; N-{7-Cyano-6-[4-Fluoro-3-({[3-(Trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-Benzothiazol-2-Yl}cyclopropanecarboxamide; N-[7-CYANO-6-(4-FLUORO-3-{2-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDO}PHENOXY)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE; N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide; C27H18F4N4O3S; 4ksp; 1SU; N-[7-Cyano-6-[4-fluoro-3-[[[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide; SCHEMBL823682; CHEMBL3125890; BDBM99471; GTPL10387; EX-A242; SYN1203; TAK 632; CHEBI:167673; HMS3653M08; HMS3673M07; AOB87729; BCP08426; TAK 632; TAK 632; 2742AH; MFCD26960965; NSC778809; s7291; ZINC68208189; AKOS025405225; CCG-270021; CS-1697; NSC-778809; compound 8B [PMID: 23906342]; NCGC00371156-09; AS-16332; DA-47029; HY-15767; QC-10896; FT-0700129; SW219895-1; US8497274, 32; A890929; J-690078; Q27452417; Benzeneacetamide, N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-; N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	554.5	7	C27H18F4N4O3S	132	957	5.3	39	2	10	C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N	"InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)"	OJFKUJDRGJSAQB-UHFFFAOYSA-N
DG01575	Gandotinib	46213929	"GANDOTINIB; 1229236-86-5; LY2784544; LY 2784544; LY-2784544; UNII-ANC71R916O; Gandotinib (LY2784544); 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; ANC71R916O; 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; C23H25ClFN7O; 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine; Gandotinib [USAN:INN]; LY2784544(Gandotinib); Gandotinib (USAN); LY2784544;Gandotinib; Gandotinib(LY2784544); Gandotinib; LY2784544; 3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine; GTPL7909; SCHEMBL2513132; CHEMBL2107823; SCHEMBL15458955; DTXSID20153789; SYN1196; CHEBI:188757; HMS3655L06; HMS3750I09; AOB87108; BCP02309; EX-A1114; MFCD20482143; NSC764820; s2179; ZINC68245097; AKOS026673949; AKOS037643413; BCP9000875; CCG-269448; CS-0426; DB13040; NSC-764820; QC-8978; SB13346; NCGC00345461-02; NCGC00345461-08; 3-((4-Chloro-2-fluorophenyl)methyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholin-4-ylmethyl)imidazo(1,2-b)pyridazin-6-amine; 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8- (morpholinomethyl)imidazo(1,2-b)pyridazin-6-amine; AC-32810; AS-16329; HY-13034; Imidazo(1,2-b)pyridazin-6-amine, 3-((4-chloro-2-fluorophenyl)methyl)-2-methyl-N-(5- methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-; FT-0700131; SW219960-1; X7498; A25226; D10365; J-511428; Q27077770; 3-[(4-chloro-2-luorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine; Gandotinib;3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine; Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13040	.	.	469.9	6	C23H25ClFN7O	83.4	644	3.8	33	2	7	CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F	"InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)"	SQSZANZGUXWJEA-UHFFFAOYSA-N
DG01576	Derazantinib	46834118	"Derazantinib; 1234356-69-4; ARQ-087; ARQ087; UNII-N9B0H171MJ; N9B0H171MJ; ARQ 087; (6R)-6-(2-fluorophenyl)-N-(3-{2-[(2-methoxyethyl)amino]ethyl}phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine; Benzo[h]quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-N-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-, (6R)-; Benzo(H)quinazolin-2-amine, 6-(2-fluorophenyl)-5,6-dihydro-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-, (6R)-; Derazantinib [USAN]; Derazantinib(ARQ-087); Derazantinib (ARQ 087); GTPL9785; CHEMBL4297187; SCHEMBL13273847; ARQ-087ARQ-087; AMY16754; BCP29103; EX-A1717; s8609; WHO 10488; AKOS037648596; CS-7922; DB14889; AC-30343; BS-14785; HY-19981; A16825; C71924; (6R)-6-(2-fluorophenyl)-5,6-dihydro-N-[3-[2-[(2-methoxyethyl)amino]ethyl]phenyl]-Benzo[h]quinazolin-2-amine; (R)-6-(2-fluorophenyl)-N-(3-(2-((2-methoxyethyl)amino)ethyl)phenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB14889	.	.	468.6	9	C29H29FN4O	59.1	638	5.3	35	2	6	COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F	"InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1"	KPJDVVCDVBFRMU-AREMUKBSSA-N
DG01577	Flumatinib	46848036	"Flumatinib; 895519-90-1; HHGV678; HH-GV678; Flumatinib free base; flumbatinib; UNII-R4009Y24AI; HHGV-678; R4009Y24AI; 895519-90-1 (free base); 4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide; HHGV678 mesylate; BenzaMide, 4-[(4-Methyl-1-piperazinyl)Methyl]-N-[6-Methyl-5-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]-3-pyridinyl]-3-(trifluoroMethyl)-; N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide; HH-GV-678; Hansoh Xinfu; flumatinib (pseudo INN); GTPL9913; SCHEMBL4883843; CHEMBL3545413; DTXSID60237779; BCP23797; EX-A3572; VKB51990; BDBM50529313; NSC830368; ZINC68244727; CS-5550; DB11904; NSC-830368; SB17192; NCGC00378614-01; 4-(4-Methylpiperazin-1-ylmethyl)-N-(6-methyl-5-(4-pyridin-3-ylpyrimidin-2-ylamino)pyridin-3-yl)-3-trifluoromethylbenzamide; DA-33625; HY-13904; FT-0739882; Q27287759; N-[5-[[4-(3-Pyridinyl)pyrimidine-2-yl]amino]-6-methylpyridine-3-yl]-3-(trifluoromethyl)-4-[(4-methylpiperazine-1-yl)methyl]benzamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11904	.	.	562.6	7	C29H29F3N8O	99.2	841	3.4	41	2	11	CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	"InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)"	BJCJYEYYYGBROF-UHFFFAOYSA-N
DG01578	NS-018	46866319	"NS-018; ilginatinib; 1239358-86-1; UNII-56R994WX4L; 56R994WX4L; 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine; (S)-N2-(1-(4-fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine; (S)-N2-[1-(4-fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine; GTPL7839; CHEMBL4303389; SCHEMBL14954406; NS018; HY-19631A; NS-018NS-018; ZINC68245917; CS-5358; DB12784; A922051; Q27088043; (S)-N-(1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N'-(pyrazin-2-yl)pyridine-2,6-diamine; (S)-N2-[1-(4-fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2yl)pyridine-2,6-diamine; 2,6-Pyridinediamine, N2-((1S)-1-(4-fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-; N2-[(1S)-1-(4-Fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-(pyrazin-2-yl)pyridine-2,6-diamine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12784	.	.	389.4	6	C21H20FN7	80.6	501	3.2	29	2	7	C[C@@H](C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C	"InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1"	UQTPDWDAYHAZNT-AWEZNQCLSA-N
DG01579	JQ1	46907787	"1268524-70-4; (+)-JQ1; (+)-JQ-1; JQ1 compound; JQ1; JQ-1; (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; UNII-1MRH0IMX0W; (S)-JQ1; Bromodomain Inhibitor, (+)-JQ1; 1MRH0IMX0W; C23H25ClN4O2S; CHEMBL1957266; tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-; 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-; tert-Butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate; (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate; 3mxf; 4flp; 4qzs; (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 1,1-dimethylethyl ester; tert-butyl 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; MLS006011158; SCHEMBL881227; GTPL7511; CHEBI:95080; DTXSID20155309; EX-A457; SYN3004; CHEBI:137113; BDBM50365262; NSC760183; NSC764043; s7110; ZINC57318556; AKOS016344680; (+)JQ-1; CCG-269306; CS-0581; JQ1 (+); JQ1-(+); NSC-760183; NSC-764043; NCGC00250412-01; NCGC00250412-15; NCGC00250412-21; (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diaz; AC-32617; AS-16352; BP-21590; HY-13030; SMR004702930; BB 0262647; (+)-JQ1, >=98% (HPLC); A854208; Q3156953; (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]di azepine-6-acetic acid 1,1-dimethylethyl ester; tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate;(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate; tert-butyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate; tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate; tert-butyl[(S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:95080	.	.	.	457	5	C23H25ClN4O2S	97.6	706	4.9	31	0	6	CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C	"InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1"	DNVXATUJJDPFDM-KRWDZBQOSA-N
DG01580	MPI-0479605	46909588	"MPI-0479605; 1246529-32-7; N6-Cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-9H-purine-2,6-diamine; CHEMBL2047943; MPI0479605; MPI 0479605; 6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine; C22H29N7O; WITJ0018D; MPI-0479605 hydrochloride; GTPL9399; SCHEMBL2946927; US11208696, Example 1; BDBM532282; HMS3653P07; HMS3740O21; BCP27897; EX-A1092; WZB52932; 2574AH; BDBM50386816; MFCD28099811; ZINC68246140; AKOS026750424; AKOS027289040; CCG-268735; CS-4665; SB19447; NCGC00386327-02; NCGC00386327-03; AC-33011; DA-46740; HY-12660; B3706; FT-0699832; S7488; SW220076-1; A14290; n6-cyclohexyl-n2-(2-methyl-4-morpholino-phenyl)-9h-purine-2,6-diamine; N~-6~-cyclohexyl-N~2~-[2-methyl-4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine; 9H- Purine- 2, 6- diamine, N6- cyclohexyl- N2- [2- methyl- 4- (4- morpholinyl) phenyl] -"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	407.5	5	C22H29N7O	91	540	4.2	30	3	7	CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4	"InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)"	OVJBNYKNHXJGSA-UHFFFAOYSA-N
DG01581	VS-5584	46912230	"VS-5584; 1246560-33-7; 5-(9-Isopropyl-8-methyl-2-morpholino-9H-purin-6-yl)pyrimidin-2-amine; SB2343; SB-2343; VS-5584 (SB2343); UNII-W71J4X250V; 5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine; CHEMBL3393066; W71J4X250V; VS5584; 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine; 2-Pyrimidinamine, 5-[8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-; C17H22N8O; 2-Pyrimidinamine, 5-(8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl)-; SCHEMBL539098; GTPL8382; DTXSID10677328; EX-A288; HMS3652B16; BCP08247; WZB56033; 2797AH; BDBM50059635; MFCD25372027; NSC778810; NSC800991; s7016; ZINC95644685; 5-(9-isopropyl-8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-pyrimidin-2-ylamine; AKOS024465057; CCG-268087; CS-1202; DB12986; NSC-778810; NSC-800991; SB 2343; SB16877; 5-[8-Methyl-2-(morpholin-4-yl)-9-(propan-2-yl)-9H-purin-6-yl]pyrimidin-2-amine; NCGC00386370-03; NCGC00386370-06; AC-33121; AS-80075; DA-46738; HY-16585; FT-0700143; SW220201-1; A857790; J-690096; Q27089164; 5-[8-Methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine; SB-2343; ; ; 5-(8-Methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB12986	.	.	354.4	3	C17H22N8O	108	466	0.8	26	1	8	CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N	"InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)"	QYBGBLQCOOISAR-UHFFFAOYSA-N
DG01582	WNT-974	46926973	"1243244-14-5; LGK974; LGK-974; 2-(2',3-Dimethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide; WNT-974; WNT974; LGK 974; UNII-U27F40013Q; CHEBI:78030; LGK974 (WNT974); CHEMBL3188386; 2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide; U27F40013Q; 2-[5-Methyl-6-(2-methyl-4-pyridyl)-3-pyridyl]-N-(5-pyrazin-2-yl-2-pyridyl)acetamide; [2,4'-Bipyridine]-5-acetamide, 2',3-dimethyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-; 2-(2',3-Dimethyl-(2,4'-bipyridin)-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide; 2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide; NVP-LGK974; MLS006011002; SCHEMBL1723611; GTPL11167; HMS3653G11; BCP08495; EX-A1402; LGK-974 (WNT974); 2140AH; BBL102809; BDBM50133870; CS3177; NSC777639; s7143; STL556617; ZINC95930187; AKOS025211913; CCG-264701; DB12561; NSC-777639; SB19314; NCGC00347950-01; NCGC00347950-02; NCGC00347950-07; NCGC00347950-11; AC-30231; HY-17545; MS-20504; QC-11701; SMR004702800; SW211728-2; J3.551.731F; A890524; AU-004/43508401; J-005066; Q27147596; LGK 974;LGK974; WNT974; WNT 974; WNT-974; 2',3-Dimethyl-N-[5-(2-pyrazinyl)-2-pyridinyl]-[2,4'-bipyridine]-5-acetamide; 2-(2',3-diMethyl-[2,4'-bipyridin]-5-yl)-N-(5-(pyrazin-2-yl)pyridin-2-yl)acetaMide;LGK974"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:78030	DB12561	.	.	396.4	5	C23H20N6O	93.6	560	1.8	30	1	6	CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4	"InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)"	XXYGTCZJJLTAGH-UHFFFAOYSA-N
DG01583	MK2206	46930998	"1032350-13-2; MK-2206 dihydrochloride; MK-2206 2HCl; MK2206; UNII-Q34I3E28IO; 8-(4-(1-Aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one dihydrochloride; MK-2206 HCl salt; 8-[4-(1-AMINOCYCLOBUTYL)PHENYL]-9-PHENYL-1,2,4-TRIAZOLO[3,4-F][1,6]NAPHTHYRIDIN-3(2H)-ONE DIHYDROCHLORIDE; Q34I3E28IO; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride; C25H21N5O; MK 2206 2HCl; 1032349-77-1; MK 2206 dihydrochloride; C25H21N5O.HCl; C25H21N5O.2HCl; CHEMBL4635254; SCHEMBL17100521; EX-A259; SYN1162; AOB87741; MFCD14584463; s1078; AKOS015966903; CCG-264809; PB19401; 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-, hydrochloride (1:2); 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochl; AC-28437; AS-16298; FT-0672430; SW202557-3; X7427; Z1978; P11738; J-000912; J-519356; Q27286944; (2R,4S)-4-[(3-Carboxy-1-oxopropyl)amino]-4-[(p-phenylphenyl)methyl]-2-methylbutanoic acid ethyl ester; 4-[[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid calcium salt; 4-{[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid; 8-[4-(1-Aminocyclobutyl)phenyl]-9-phenyl-1,2,4-triazolo[3,4-f][1,6]naphthyridin-3(2H)-one 2HCl; 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H,3H-[1,2,4]triazolo[3,4-f]1,6-naphthyridin-3-one hydrochloride"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	480.4	3	C25H23Cl2N5O	83.6	760	.	33	4	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl	"InChI=1S/C25H21N5O.2ClH/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31;;/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31);2*1H"	HWUHTJIKQZZBRA-UHFFFAOYSA-N
DG01584	LY-2874455	46944259	"LY2874455; 1254473-64-7; LY-2874455; UNII-E9M363811V; LY 2874455; CHEMBL3828009; E9M363811V; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; C21H19Cl2N5O2; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol.; 2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol; (R,E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-yl)-ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; LY2874455 monohydrate; SCHEMBL298445; SCHEMBL298446; GTPL8104; QCR-90; DTXSID20154776; BCP04756; EX-A1340; 2529AH; BDBM50189781; NSC771750; NSC783670; s7057; ZINC73069242; AKOS027251051; BCP9000878; CCG-269169; CS-0907; DB13022; LM 1476; NSC-771750; NSC-783670; (R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethan-1-ol; AC-33003; AS-74798; HY-13304; BCP0726000015; C72002; LY2874455/LY-2874455; J-690104; Q27082753; (R)-(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol; 2-{4-[(1E)-2-{5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl}ethenyl]-1H-pyrazol-1-yl}ethan-1-ol"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB13022	.	.	444.3	7	C21H19Cl2N5O2	88.8	576	3.5	30	2	5	C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C=C/C4=CN(N=C4)CCO	"InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1"	GKJCVYLDJWTWQU-CXLRFSCWSA-N
DG01585	CH-5132799	49784945	"CH5132799; 1007207-67-1; CH-5132799; 5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine; CH 5132799; UNII-JCL936W835; CHEMBL1684984; CH5132799 (PA-799); JCL936W835; 5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine; 5-(7-Methanesulfonyl-2-Morpholin-4-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine; C15H19N7O3S; (5-(7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrimidin-2-yl)amine; izorlisib; [5-[7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-yl]amine; MLS006010989; GTPL7743; QCR-47; SCHEMBL2377154; DTXSID40678540; EX-A997; MEN1611; SYN1146; HMS3656H15; HMS3750I19; PA799; AOB87718; BCP02894; MEN-1611; 2316AH; BDBM50338197; MFCD22419020; NSC762382; NSC800984; PA-799; s2699; ZINC66074200; AKOS025404886; BCP9000513; CCG-264982; CS-0981; DB13051; NSC-762382; NSC-800984; SB20410; NCGC00346650-01; NCGC00346650-06; 5-[7-(Methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine; AC-28422; AS-16285; HY-15466; SMR004702790; BCP0726000261; SW220190-1; J-000203; Q27075949; 2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-; 5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine; 5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB13051	.	.	377.4	3	C15H19N7O3S	136	587	-0.6	26	1	10	CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N	"InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)"	JEGHXKRHKHPBJD-UHFFFAOYSA-N
DG01586	Taladegib	49848070	"Taladegib; 1258861-20-9; LY2940680; LY-2940680; 4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide; UNII-QY8BWX1LJ5; LY 2940680; QY8BWX1LJ5; Taladegib (LY2940680); 4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide; 4-Fluoro-N-Methyl-N-{1-[4-(1-Methyl-1h-Pyrazol-5-Yl)phthalazin-1-Yl]piperidin-4-Yl}-2-(Trifluoromethyl)benzamide; 4-fluoro-n-methyl-n-(1-(4-(1-methyl-1h-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)benzamide; Benzamide, 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl)-4-piperidinyl)-2-(trifluoromethyl)-; Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-; Taladegib [USAN:INN]; 4-Fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluoromethyl)benzamide; Taladegib (USAN/INN); MLS006011066; LY-2940680(Taladegib); SCHEMBL2128615; CHEMBL2142592; C26H24F4N6O; GTPL10333; DTXSID50154986; EX-A156; BCP02512; BDBM50545020; MFCD21609264; NSC767896; s2157; ZINC68247898; AKOS026674116; BCP9000881; CCG-269788; CS-0459; DB12550; NSC-767896; SB16504; NCGC00263170-01; NCGC00263170-06; AC-33096; AS-75020; HY-13242; QC-11811; SMR004702857; X7613; D10671; J-515412; Q27287564; 1KS; LY 2940680; ; ; 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)-benzamide"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB12550	DR1816	.	512.5	4	C26H24F4N6O	67.2	794	4.3	37	0	9	CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F	"InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3"	SZBGQDXLNMELTB-UHFFFAOYSA-N
DG01587	Encorafenib	50922675	"Encorafenib; LGX818; 1269440-17-6; LGX-818; Braftovi; Encorafenib (LGX818); UNII-8L7891MRB6; LGX 818; 8L7891MRB6; methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate; Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester; Encorafenib [USAN:INN]; Braftovi (TN); LGX-818(Encorafenib); NVP-LGX818-NXA; NVP-LGX-818-NXA; NVP-LGX818; Encorafenib (JAN/USAN/INN); GTPL7908; SCHEMBL8228295; CHEMBL3301612; DTXSID00155347; BDBM221688; BCP08458; EX-A1587; MFCD25976758; NSC778304; NSC800093; s7108; ZINC68249103; CCG-269960; DB11718; NSC-778304; NSC-800093; NCGC00378599-03; AC-30230; AS-35201; HY-15605; A13226; D11053; US9314464, 9; Q15409405; (S)-Methyl (1-((4-(3-(5-chloro-2-fluoro-3-(methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate; Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11718	DR0578	.	540	10	C22H27ClFN7O4S	149	836	2.7	36	3	10	C[C@@H](CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C)NC(=O)OC	"InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1"	CMJCXYNUCSMDBY-ZDUSSCGKSA-N
DG01588	BMS-911543	50922691	"BMS-911543; 1271022-90-2; BMS911543; BMS 911543; UNII-7N03P021J8; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide; 7N03P021J8; N,N-Dicyclopropyl-4-[(1,5-Dimethyl-1h-Pyrazol-3-Yl)amino]-6-Ethyl-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide; GTPL7954; SCHEMBL1512419; CHEMBL3545215; DTXSID00155403; HMS3747C07; AOB87390; BCP07258; EX-A1551; WAC02290; BDBM50122318; MFCD22200575; NSC766821; NSC799366; s7144; AKOS027251175; JAK2 INHIBITOR BMS-911543; ZINC100468481; CCG-269045; CS-3237; DB12591; NSC-766821; NSC-799366; SB16625; NCGC00345798-01; NCGC00345798-06; AC-29054; AS-17031; HY-15270; Imidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1,6-dihydro-1-methyl-; QC-11446; FT-0697510; A908362; Q27075379; 50V; N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d); N,N-dicyclopropyl-4-(1,5-dimethyl-1H-pyrazol-3-ylamino)-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide; N,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12591	.	DR00775	432.5	6	C23H28N8O	85.8	717	2.9	32	1	5	CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6	"InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)"	JCINBYQJBYJGDM-UHFFFAOYSA-N
DG01589	NIBR3049	50925411	"TCS 21311; 1260181-14-3; NIBR3049; TCS-21311; 3-[5-[4-(2-Hydroxy-2-methyl-1-oxopropyl)-1-piperazinyl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione; CHEMBL1650951; NIBR3049NIBR3049; SCHEMBL16113848; NIBR-3049; DTXSID40678984; BDBM50335231; ZINC66103171; AKOS016355213; NCGC00387150-01; HY-108264; CS-0027898; FT-0674827; J-005320; JAK3/GSK-3beta/PKCalpha Inhibitor - CAS 1260181-14-3; 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione; 3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1-yl]-2-trifluoromethyl-phenyl}-4-(1H-indol-3-yl)-pyrrole-2,5-dione; 3-{5-[4-(2-Hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	526.5	4	C27H25F3N4O4	106	1000	2.9	38	3	8	CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O	"InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)"	CLGRAWDGLMENOD-UHFFFAOYSA-N
DG01590	VE-821	51000408	"VE-821; 1232410-49-9; 3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide; VE 821; VE821; 3-Amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-2-pyrazinecarboxamide; UNII-BF884TQ935; CHEMBL1766779; 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide; BF884TQ935; 3-AMINO-6-(4-METHANESULFONYLPHENYL)-N-PHENYLPYRAZINE-2-CARBOXAMIDE; 3-Amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide; 2-Pyrazinecarboxamide, 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenyl-; 2-Pyrazinecarboxamide, 3-amino-6-[4-(methylsulfonyl)phenyl]-N-phenyl-; ATR Inhibitor IV; MLS006011215; GTPL8042; SCHEMBL2483543; DTXSID60679574; EX-A530; CHEBI:124916; HMS3653B19; HMS3673C07; HMS3744G05; BCP02617; 2788AH; BDBM50341733; MFCD19443686; NSC761070; s8007; ZINC68244543; AKOS025212610; CCG-268268; CS-0238; NSC-761070; SB19277; NCGC00346444-01; NCGC00346444-07; AC-30933; AS-72494; BV168070; HY-14731; SMR004702977; VE-821, >=98% (HPLC); FT-0700135; SW219507-1; J-690084; Q27089128; 3-Amino-6-[4-(methlsulfonyl)phenyl)-N-phenyl-2-pyrazinecarboxamide; 3-Azanyl-6-(4-methylsulfonylphenyl)-N-phenyl-pyrazine-2-carboxamide; 3-amino-6-(4-(methyl sulfonyl)phenyl)-n-phenyl-2-pyrazinecarboxamide; 3-Amino-6-[4-(methanesulfonyl)phenyl]-N-phenylpyrazine-2-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:124916	.	.	.	368.4	4	C18H16N4O3S	123	578	2.1	26	2	6	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N	"InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)"	DUIHHZKTCSNTGM-UHFFFAOYSA-N
DG01591	Taselisib	51001932	"Taselisib; GDC-0032; 1282512-48-4; GDC 0032; 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide; GDC0032; Taselisib (GDC0032); UNII-L08J2O299M; RG7604; RG-7604; CHEMBL2387080; L08J2O299M; RG 7604; Taselisib [INN]; 2-Methyl-2-(4-{2-[3-Methyl-1-(Propan-2-Yl)-1h-1,2,4-Triazol-5-Yl]-5,6-Dihydroimidazo[1,2-D][1,4]benzoxazepin-9-Yl}-1h-Pyrazol-1-Yl)propanamide; Taselisib [USAN:INN]; TaselisibGDC-0032; Taselisib (USAN/INN); Taselisib (GDC-0032); GTPL7794; SCHEMBL1485247; DTXSID00155842; SYN1202; HMS3674G19; AMY39941; BCP09253; EX-A1581; BDBM50434806; MFCD26142641; NSC777425; NSC800985; s7103; ZINC68267049; AKOS026750303; CCG-269338; CS-1817; DB12108; GDC-0032, Taselisib; RG-7604; NSC-777425; NSC-800985; SB16576; NCGC00387039-02; 2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide; AC-32794; AS-10662; BG166285; HY-13898; QC-11626; D11774; J-690119; Q27088940; 1H-Pyrazole-1-acetamide, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-; 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide(GDC-0032); 3-({[(3R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic aci d; 4-[5,6-Dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-; A,; A-dimethyl-1H-pyrazole-1-acetamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12108	.	.	460.5	5	C24H28N8O2	119	751	1.8	34	1	6	CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C	"InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)"	BEUQXVWXFDOSAQ-UHFFFAOYSA-N
DG01592	Pyrotinib	51039030	"Pyrotinib; 1269662-73-8; UNII-CJN36EQM0H; SHR-1258; CJN36EQM0H; SHR1258; 1269662-73-8 (free base); (R,E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methylpyrrolidin-2-yl)acrylamide; (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide; Airuini; 1246089-97-3; Pyrotinib(SHR-1258); GTPL9662; SCHEMBL9948753; CHEMBL3647420; BDBM139991; BCP29458; WZB08997; s8852; CS-7940; DB14993; compound 12 [PMID: 28115222]; 2-Propenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-3-((2R)-1-methyl-2-pyrrolidinyl)-, (2E)-; HY-104065; 4679B; A17068; US8901140, 5; SHR-1258; SHR1258; SHR 1258; Q27275495; (E)-N-[4-[[3-chloro-4-(2-pyridylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB14993	.	.	583.1	10	C32H31ClN6O3	112	960	5.4	42	2	8	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/[C@H]5CCCN5C	"InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1"	SADXACCFNXBCFY-IYNHSRRRSA-N
DG01593	Tucatinib	51039094	"Irbinitinib; Tucatinib; 937263-43-9; ONT-380; 6-DIAMINE; Tukysa; UNII-234248D0HH; N6-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)quinazoline-4,6-diamine; 234248D0HH; Irbinitinib; ARRY-380; ONT-380; N4-(4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenyl)-N6-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)quinazoline-4,6-diamine; 6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine; N6-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-N4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,6-quinazolinediamine; Irbitinib; ONT 380; Tukysa (TN); ONT-380;Tucatinib; Tucatinib (USAN/INN); Tucatinib [USAN:INN]; Irbinitinib(ARRY-380); Irbinitinib; ARRY-380; GTPL9922; SCHEMBL1193050; CHEMBL3989868; BDBM471617; BCP15983; EX-A1031; MFCD22380467; NSC764581; NSC799335; s8362; ZINC68250462; ARRY-380 (ONT-380); AKOS026750449; CCG-264747; CS-3906; DB11652; NSC-764581; NSC-799335; SB17126; US10822334, Compound ONT380; NCGC00482879-02; 4,6-Quinazolinediamine, N6-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)-; AC-33037; AS-56109; BT177688; HY-16069; Example 11 [WO2007059257A2]; DB-130430; A16413; D11141; A857335; Q25100690; 4,6-QuinazolinediaMine,N6-(4,5-dihydro-4,4-diMethyl-2-oxazolyl)-N4-[3-Methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-; N6-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-N4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4,6-quinazolinediamine;; N6-(4,5-dihydro-4,4-dmethyl-2-oxazolyl)-N4-(3-methyl-4-((1,2,4)triazolo(1,5-A)pyridin-7-Yloxy)phenyl)-4,6-quinazolinediamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11652	.	.	480.5	6	C26H24N8O2	111	796	4	36	2	8	CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5	"InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)"	SDEAXTCZPQIFQM-UHFFFAOYSA-N
DG01594	AZD-4547	51039095	"AZD4547; 1035270-39-3; AZD-4547; AZD 4547; UNII-2167OG1EKJ; N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide; 2167OG1EKJ; CHEBI:63453; rel-N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]benzamide; N-{3-[2-(3,5-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-4-[(3r,5s)-3,5-Dimethylpiperazin-1-Yl]benzamide; N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-(cis-3,5-dimethylpiperazin-1-yl)benzamide; N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide; 66T; KB-74810; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide; SCHEMBL63884; N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-rel-3,5-dimethylpiperazin-1-yl)benzamide; GTPL7707; QCR-89; SCHEMBL15250892; DTXSID80145887; AMY16612; AOB87745; EX-A1578; 2240AH; MFCD22580423; NSC764239; NSC765338; NSC799346; s2801; ZINC95616598; AKOS024464898; BCP9000364; CCG-269382; CS-0971; DB12247; NSC-764239; NSC-765338; NSC-799346; NCGC00346713-01; NCGC00346713-05; AC-28442; AS-17054; HY-13330; rel-N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide; SW219341-1; J-000994; J-524217; Q27074746; N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)-4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzamide, rel-; N-(5-(3,5-Dimethoxyphenethyl)-4H-pyrazol-3-yl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-Benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin -1-yl]benzamide; N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide"	Phase 2/3	6	Clinical Trial Drug(s)	Phase 2/3	Small molecular drug	.	CHEBI:63453	DB12247	.	.	463.6	8	C26H33N5O3	91.5	622	3.9	34	3	6	C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC	"InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+"	VRQMAABPASPXMW-HDICACEKSA-N
DG01595	Uprosertib	51042438	"Uprosertib; 1047634-65-0; GSK2141795; UNII-ZXM835LQ5E; GSK795; GSK2141795C; GSK-2141795; ZXM835LQ5E; Uprosertib (GSK2141795); N-((S)-1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide; N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide; Uprosertib [USAN:INN]; Uprosertib (USAN/INN); Akt inhibitor gsk2141795; SCHEMBL168584; Uprosertib, GSK2141795; Akt inhibitor gsk-2141795; GTPL7902; CHEMBL3137336; BCP28204; EX-A1593; BDBM50170284; GSK-2141795C; MFCD28144686; NSC778368; NSC800960; s7492; ZINC43197676; AKOS027323909; CCG-268992; DB11969; NSC-778368; NSC-800960; NCGC00390653-01; AC-30940; HY-15965; D10674; F20800; Q27089099; GSK-2141795; GSK2141795; GSK 2141795; GSK795; GSK-795; GSK 795.; 2-Furancarboxamide, N-((1S)-2-amino-1-((3,4-difluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; N-((1S)-1-(Aminomethyl)-2-(3,4-difluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide; N-{(1S)-2-amino-1-[(3,4-difluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-furancarboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11969	.	.	429.2	6	C18H16Cl2F2N4O2	86.1	550	3.4	28	2	6	CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl	"InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1"	AXTAPYRUEKNRBA-JTQLQIEISA-N
DG01596	APR-246	52918385	"APR-246; 5291-32-7; PRIMA-1MET; Eprenetapopt; APR 246; 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one; 2-(Hydroxymethyl)-2-(methoxymethyl)quinuclidin-3-one; Prima 1MET; Eprenetapopt [USAN]; MLS006010767; APR246; SCHEMBL2228161; 3-Quinuclidinone, 2-(hydroxymethyl)-2-(methoxymethyl)-; CHEMBL3186011; SCHEMBL21636035; PRIMA-1MET(APR-246); APR-246 (PRIMA-1MET); BCP20294; EX-A2772; MFCD20620963; NSC791496; s7724; WHO 11387; 1-Azabicyclo(2.2.2)octan-3-one, 2-(hydroxymethyl)-2-(methoxymethyl)-; AKOS024457764; CCG-266578; CS-7614; DB11684; NSC-791496; SB19737; NCGC00346881-01; AC-32964; AS-72033; BA176962; HY-19980; SMR004701457; A901731; Q27294965; 2-hydroxymethyl-2-methoxymethyl-1-azabicyclo[2.2.2]octan-3-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB11684	.	.	199.25	3	C10H17NO3	49.8	236	-0.1	14	1	4	COCC1(C(=O)C2CCN1CC2)CO	"InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3"	BGBNULCRKBVAKL-UHFFFAOYSA-N
DG01597	Miransertib	53262401	"Miransertib; 1313881-70-7; ARQ-092; AKT inhibitor 2; ARQ 092 Free Base; ARQ092; ARQ 092; UNII-T1DQI1B52Y; T1DQI1B52Y; 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine; 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine; 3-[3-[4-(1-Azanylcyclobutyl)phenyl]-5-Phenyl-Imidazo[4,5-B]pyridin-2-Yl]pyridin-2-Amine; 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)pyridin-2-amine; Miransertib [INN]; Miransertib [USAN]; Miransertib [WHO-DD]; Miransertib (USAN/INN); Miransertib [USAN:INN]; Miransertib (ARQ-092); GTPL9429; SCHEMBL2187875; CHEMBL4297188; BCP19821; EX-A1268; NSC791328; WHO 10490; ZINC72315647; CS-5377; DB14982; NSC-791328; SB19688; compound 21a [PMID: 27305487]; HY-19719; DB-105304; S6811; J3.532.768A; D11409; A922251; Q27456535; 2-Pyridinamine, 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)-; 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)-2-pyridinamine; 6S1"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB14982	.	.	432.5	4	C27H24N6	95.6	653	3.8	33	2	5	C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N	"InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)"	HNFMVVHMKGFCMB-UHFFFAOYSA-N
DG01598	FIIN-1	53348188	"FIIN-1; 1256152-35-8; CHEMBL2216830; N-(3-((3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-(4-(diethylamino)butylamino)-2-oxo-3,4- dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide; N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide; FIIN1; SCHEMBL17010767; BDBM50403060; ZINC95564544; NCGC00378818-01; HY-15813; CS-0009282; N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	656.6	15	C32H39Cl2N7O4	112	947	5.3	45	2	8	CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)CC3=CC(=CC=C3)NC(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl	"InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)"	DNVFTXQYIYFQBW-UHFFFAOYSA-N
DG01599	Altiratinib	54576299	"Altiratinib; 1345847-93-9; DCC-2701; DP-5164; Altiratinib [USAN]; UNII-T678746713; Altiratinib (USAN); 1,1-Cyclopropanedicarboxamide, N-[4-[[2-[(cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-; T678746713; 1,1-Cyclopropanedicarboxamide, N-(4-((2-((cyclopropylcarbonyl)amino)-4-pyridinyl)oxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)-; 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-(4-((2-(cyclopropanecarboxamido)pyridin-4-yl)oxy)-2,5-difluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.; N-[4-[[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide; Altiratinib;DCC2701; Altiratinib(DCC-2701); SCHEMBL139906; GTPL9174; CHEMBL3545365; DCC-270; DCC2701; EX-A902; AOB87118; BCP15682; HY-B0791; BDBM50193395; MFCD28900672; NSC784590; s6412; AKOS026750329; ZINC113198271; CS-3944; NSC-784590; SB18876; NCGC00480913-04; N-(4-((2-((Cyclopropylcarbonyl)amino)pyridin-4-yl)oxy)-2,5-difluorophenyi)-N-(4- fluorophenyl)cyclopropane-1,1-dicarboxamide; B5832; FT-0700171; A14387; D10862; F11464; A887875; J-690136; Q27074416; 1,1-CYCLOPROPANEDICARBOXAMIDE, N-[4-[[2-[(CYCLOPROPYLCARBONYL)AMINO]-4-PYRIDINYL]OXY]-2,5-DIFLUOROPHENYL]-N-(4-FLUOROPHENYL)-; 4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl}vinyl]-1,3,4-oxadiazol-2-yl}benzonitrile; N-(4-(2-(cyclopropanecarboxamido)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	510.5	8	C26H21F3N4O4	109	863	4.3	37	3	8	C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F	"InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)"	GNNDEPIMDAZHRQ-UHFFFAOYSA-N
DG01600	AZD3463	56599293	AZD3463; 1356962-20-3; AZD-3463; ALK/IGF1R inhibitor; N-(4-(4-Aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; CS-1382; HY-15609; AZD 3463; C24H25ClN6O; N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine.; KB-154896; SCHEMBL517412; GTPL7706; CHEMBL4203266; DTXSID50717792; EX-A328; CHEBI:167653; BDBM192752; HMS3653G05; AOB87394; BCP07685; 2238AH; NSC776787; s7106; ZINC95616580; AKOS026750287; CCG-269224; NSC-776787; NCGC00351596-09; AC-32961; AS-17033; DA-35311; QC-11775; FT-0749742; SW219925-1; F20803; Q27074737; ALK/IGF1R inhibitor; ; ; N-(4-(4-aminopiperidin-1-yl)-2-methoxyphenyl)-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine; N-[4-(4-amino-1-piperidinyl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)-2-pyrimidinamine	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	448.9	5	C24H25ClN6O	92.1	605	4.2	32	3	6	COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl	"InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)"	GCYIGMXOIWJGBU-UHFFFAOYSA-N
DG01601	Pilaralisib	56599306	"Pilaralisib; 934526-89-3; XL-147; SAR245408; SAR-245408; UNII-60ES45KTMK; Pilaralisib (XL147); 60ES45KTMK; 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide; 2-amino-N-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide.; SAR 245408; Pilaralisib [USAN:INN]; Pilaralisib, SAR245408; SCHEMBL189422; CHEMBL3360203; SCHEMBL14921345; SCHEMBL16154579; EX-A196; AMY10846; BCP15312; BDBM50197062; MFCD26142605; NSC791227; NSC800853; s7645; AKOS026750450; ZINC100472223; CCG-264704; CS-1546; DB11772; NSC-791227; NSC-800853; SB16574; Pilaralisib(XL-147; SAR245408); NCGC00378973-02; 2-Amino-n-(3-(N-(3-((2-chloro-5-methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)-2-methylpropanamide; 2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide; AC-33122; AS-56300; DA-40388; HY-16526; FT-0744481; A859771"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB11772	.	.	541	8	C25H25ClN6O4S	157	887	3.4	37	4	9	CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N	"InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)"	QINPEPAQOBZPOF-UHFFFAOYSA-N
DG01602	AGI-5198	56645356	AGI-5198; 1355326-35-0; IDH-C35; N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-(o-tolyl)acetamide; AGI 5198; AGI-5198(IDH C35); N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide; CHEMBL2180727; AGI5198; N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide; AGI-5198 (IDH-C35); MLS006010252; GTPL9240; SCHEMBL15118942; C27H31FN4O2; AOB5947; DTXSID30718166; EX-A171; QCR-214; HMS3653K15; HMS3865J13; AMY24200; BCP07382; BDBM50400272; MFCD24848688; NSC773096; s7185; AKOS026674117; CCG-269371; CS-1429; NSC-773096; SB19576; NCGC00347934-01; NCGC00347934-09; BS-14968; DA-35355; HY-18082; SMR004701328; FT-0768624; SW220036-1; X5817; A854356; Q27074345; S900006220; N-[2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	462.6	7	C27H31FN4O2	67.2	686	4.9	34	1	4	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C	"InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)"	FNYGWXSATBUBER-UHFFFAOYSA-N
DG01603	Agerafenib	56846693	"CEP-32496; 1188910-76-0; Agerafenib; CEP 32496; RXDX-105; UNII-78I4VEX88N; 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea; CEP32496; 78I4VEX88N; CHEMBL2029988; 1-[3-[(6,7-Dimethoxyquinazolin-4-yl)oxy]phenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl]urea; 1-(3-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-3-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)urea; Rxdx 105; CEP-32496 free base; CEP-32496 (free base); GTPL7880; SCHEMBL1015932; HMS3653J19; BCP16304; EX-A1481; 2310AH; AB-024; BDBM50382959; MFCD22124524; NSC776043; NSC800070; s8015; ZINC43207440; AKOS023600525; AKOS032949984; CCG-269834; CS-1115; DB15068; NSC-776043; NSC-800070; SB20796; NCGC00386234-02; NCGC00386234-03; AC-30297; AC013773; AS-74934; HY-15200; AC-013773; SW220118-1; A856125; Q27075853; 1-{3-[(6,7-DIMETHOXYQUINAZOLIN-4-YL)OXY]PHENYL}-3-[5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)-1,2-OXAZOL-3-YL]UREA; Urea, N-[3-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N-[5-(2,2,2-trifluoro-1,1-dimethylethyl)-3-isoxazolyl]-"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB15068	.	DR00774	517.5	7	C24H22F3N5O5	121	776	5	37	2	11	CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F	"InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)"	DKNUPRMJNUQNHR-UHFFFAOYSA-N
DG01604	CEP-28122	57325421	"CEP-28122; 1022958-60-6; CHEMBL2064666; compound 25b [PMID: 22564207]; (1S,2S,3R,4R)-3-((5-chloro-2-(((S)-1-methoxy-7-morpholino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide.; CEP28122; CEP 28122; GTPL8139; SCHEMBL2061951; (1S,2S,3R,4R)-3-[(5-chloro-2-{[(7S)-1-methoxy-7-(morpholin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; EX-A1541; BDBM50389154; ZINC84654307; CS-5176; NCGC00387821-03; HY-18030; Q27076467; (1S,2S,3R,4R)-3-[(5-Chloro-2-{[(7S)-1-methoxy-7-(4-morpholinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}-4-pyrimidinyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; (1S,2S,3R,4R)-3-[[5-chloro-2-[[(7S)-4-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide; (1S,2S,3R,4R)-3-[5-Chloro-2-((S)-1-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	539.1	7	C28H35ClN6O3	115	858	4.1	38	3	8	COC1=C(C=CC2=C1CC[C@H](CC2)N3CCOCC3)NC4=NC=C(C(=N4)N[C@@H]5[C@@H]6C[C@H]([C@@H]5C(=O)N)C=C6)Cl	"InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1"	LAJAFFLJAJMYLK-CVOKMOJFSA-N
DG01605	SR-9009	57394020	"SR9009; 1379686-30-2; SR-9009; SR 9009; ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate; Stenabolic (SR9009); CHEMBL1961796; 1-Pyrrolidinecarboxylic acid, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-, ethyl ester; Stenabolic; 1-pyrrolidinecarboxylic acid, 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-, ethyl ester; REV-ERB Agonist II; GTPL8901; EX-A726; BCP16215; BDBM50366238; MFCD29472236; NSC810521; s8692; AKOS027470307; CCG-269102; CS-4669; DB14013; NSC-810521; SB19006; NCGC00384202-01; AC-30219; AS-55859; HY-16989; A886340; J-690150; Q15410184; ethyl 3-(4-chlorobenzyl)((5-nitrothiophen-2-yl)methylaminomethyl)pyrrolidine-1-carboxylate; N'-[(1E)-1-(5-Chloro-2-hydroxyphenyl)ethylidene]-3-(4-morpholinylsulfonyl)benzohydrazide; ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]amino]methyl]pyrrolidine-1-carboxylate; Ethyl 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-1-pyrrolidinecarboxylate"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14013	.	.	437.9	8	C20H24ClN3O4S	107	556	4.4	29	0	6	CCOC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]	"InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3"	MMJJNHOIVCGAAP-UHFFFAOYSA-N
DG01606	SR-9011	57394021	"SR9011; 1379686-29-9; SR-9011; 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide; CHEMBL1961797; 1-Pyrrolidinecarboxamide, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-n-pentyl-; GTPL8900; BDBM50366239; CS-4668; DB14014; SB19005; SR 9011; NCGC00347956-01; AS-55867; HY-16988; H12052; A927677; Q15410183; 3-(((4-Chlorobenzyl)((5-nitrothiophen-2-yl)methyl)amino)methyl)-N-pentylpyrrolidine-1-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14014	.	.	479	10	C23H31ClN4O3S	110	600	5.3	32	1	5	CCCCCNC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]	"InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)"	PPUYOYQTTWJTIU-UHFFFAOYSA-N
DG01607	LY-3023414	57519748	"LY3023414; Samotolisib; 1386874-06-1; LY-3023414; GTPL8918; UNII-C88817F47Y; Samotolisib (USAN); Samotolisib [USAN]; C88817F47Y; LY 3023414; 8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one; 2H-Imidazo(4,5-C)quinolin-2-one, 1,3-dihydro-8-(5-(1-hydroxy-1-methylethyl)-3-pyridinyl)-1-((2S)-2-methoxypropyl)-3-methyl-; 8-[5-(1-hydroxy-1-methylethyl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; example 1 [US8440829]; 2H-Imidazo[4,5-c]quinolin-2-one, 1,3-dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-; CHEMBL4297181; SCHEMBL10321700; BCP16703; EX-A2728; NSC789968; NSC800994; s8322; WHO 10889; ZINC143116580; AT19320; CCG-264765; CS-5361; DB12167; NSC-789968; NSC-800994; NCGC00485487-01; AC-30224; HY-12513; A16126; D11501; A856859; LY-3023414;LY 3023414; Q27082852; (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one; (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-one; 1,3-Dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-2H-imidazo[4,5-c]quinolin-2-one"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12167	.	.	406.5	5	C23H26N4O3	78.8	630	1.7	30	1	5	C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC	"InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1"	ACCFLVVUVBJNGT-AWEZNQCLSA-N
DG01608	AZD1208	58423153	"AZD1208; 1204144-28-4; AZD-1208; UNII-S98NFM1378; (R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione; CHEMBL2048872; S98NFM1378; (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione; AZD 1208; 5-[[2-[(3R)-3-Aminopiperidin-1-yl]biphenyl-3-yl]methylidene]-1,3-thiazolidine-2,4-dione; (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione; GTPL7698; SCHEMBL1580644; AOB87151; EX-A1804; 2236AH; BDBM50387298; MFCD25976757; NSC776066; NSC799343; s7104; ZINC84670255; AKOS025404917; CCG-268400; CS-1668; NSC-776066; NSC-799343; AC-33162; AS-35166; HY-15604; QC-11435; SW219766-1; A13203; Q27074698; (R,Z)-5-((2-(3-Aminopiperidin-1-yl)biphenyl-3-yl)methylene)thiazolidine-2,4-dione"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	379.5	3	C21H21N3O2S	101	602	3.6	27	2	5	C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\\4/C(=O)NC(=O)S4)N	"InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1"	MCUJKPPARUPFJM-UWCCDQBKSA-N
DG01609	A-1155463	59447577	"A-1155463; 1235034-55-5; CHEMBL3342332; A1155463; 2-[8-(1,3-Benzothiazol-2-Ylcarbamoyl)-3,4-Dihydroisoquinolin-2(1h)-Yl]-5-(3-{4-[3-(Dimethylamino)prop-1-Yn-1-Yl]-2-Fluorophenoxy}propyl)-1,3-Thiazole-4-Carboxylic Acid; 2-[8-[(2-Benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-[3-[4-[3-(dimethylamino)-1-propyn-1-yl]-2-fluorophenoxy]propyl]-4-thiazolecarboxylic acid; A 1155463; SCHEMBL2501550; BCP18309; EX-A1060; BDBM50030754; MFCD29924714; s7800; ZINC163914635; CCG-270355; CS-5398; BS-14688; HY-19725; Q27453707; 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-(3-(dimethylamino)prop-1-yn-1-yl)-2-fluorophenoxy)propyl)thiazole-4-carboxylic acid; 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid; 3CQ"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	669.8	11	C35H32FN5O4S2	164	1150	4.8	47	2	11	CN(C)CC#CC1=CC(=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O)F	"InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)"	SOYCFODXNRVBTI-UHFFFAOYSA-N
DG01610	Berzosertib	59472121	"VE-822; 1232416-25-9; Berzosertib; VX-970; VE822; UNII-L423PRV3V3; VE 822; VX970; VE-822 (VX-970); 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine; L423PRV3V3; 3-(3-{4-[(METHYLAMINO)METHYL]PHENYL}-1,2-OXAZOL-5-YL)-5-[4-(PROPANE-2-SULFONYL)PHENYL]PYRAZIN-2-AMINE; 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine; M6620; 2-Pyrazinamine, 3-(3-(4-((methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-; BDBM50226746; 2-Pyrazinamine, 3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-; 3-(3-(4-((METHYLAMINO)METHYL)PHENYL)-1,2-OXAZOL-5-YL)-5-(4-(PROPANE-2-SULFONYL)PHENYL)PYRAZIN-2-AMINE; 3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine; 5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.; Berzosertib [USAN]; VX-970;Berzosertib; Berzosertib (USAN/INN); Berzosertib (VE-822); AGN-PC-0CXKB3; GTPL8003; SCHEMBL3061890; CHEMBL3989870; EX-A529; CHEBI:131166; BDBM350085; HMS3653C05; HMS3747I11; AOB87712; BCP07948; 2789AH; MFCD27976794; NSC777718; s7102; US10208027, Compound II-1; US10208027, Compound II-2; US10208027, Compound II-3; US10208027, Compound II-4; VX 970; ZINC96170459; AKOS025404905; CCG-264673; CS-1861; DB11794; NSC-777718; SB17265; NCGC00386313-07; AC-32951; AS-17041; DA-46989; HY-13902; QC-10953; FT-0700136; SW220202-1; A13289; D11148; M-6620; A857986; Q27089129; 5-(4-isopropylsulfonylphenyl)-3-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-amine; Synthesis of 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:131166	DB11794	.	.	463.6	7	C24H25N5O3S	132	714	2.3	33	2	8	CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N	"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)"	JZCWLJDSIRUGIN-UHFFFAOYSA-N
DG01611	EPZ005687	60160561	"EPZ005687; 1396772-26-1; EPZ-005687; 1-cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(4-(morpholinomethyl)phenyl)-1H-indazole-4-carboxamide; EPZ 005687; 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide; EZH2 Inhibitor, EPZ005687; UNII-GQ4LD5KG1E; GQ4LD5KG1E; GTPL8387; SCHEMBL12684069; AOB1761; DTXSID80733849; EX-A429; CHEBI:124922; EPZ 5687 [WHO-DD]; C32H37N5O3; BCP07899; EPZ 5687; EPZ-5687; WFC77226; 2398AH; MFCD25372029; NSC783332; s7004; ZINC98043813; AKOS026750254; CCG-269957; CS-1215; NSC-783332; SB19050; NCGC00351604-01; NCGC00351604-09; NCGC00351604-12; AC-32708; AS-16367; DA-34778; HY-15555; QC-11445; FT-0700189; Q27077206; 1-Cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-{4-[(morpholin-4-yl)methyl]phenyl}-1H-indazole-4-carboxamide; 1H-Indazole-4-carboxamide, 1-cyclopentyl-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-6-(4-(4-morpholinylmethyl)phenyl)-; cyclopentyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(4-(morpholinomethyl)phenyl)-1H-indazole-4-carboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:124922	.	.	.	539.7	7	C32H37N5O3	88.5	991	3.7	40	2	5	CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C	"InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)"	ZOIBZSZLMJDVDQ-UHFFFAOYSA-N
DG01612	DEBIO-1347	66555680	"1265229-25-1; CH5183284; Debio-1347; zoligratinib; CH-5183284; CH5183284 (Debio-1347); Debio 1347; UNII-NR9ZYH80Z8; FF284; NR9ZYH80Z8; CHEMBL3907479; (5-Amino-1-(2-methyl-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-4-yl)(1H-indol-2-yl)methanone; [5-Amino-1-(2-Methyl-1h-Benzimidazol-6-Yl)-1h-Pyrazol-4-Yl](1h-Indol-2-Yl)methanone; [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone; Fgfr inhibitor debio 1347; DEBIO1347; GTPL9787; SCHEMBL10002991; HMS3674G21; HMS3748K13; BCP14354; EX-A1122; BDBM50197683; MFCD28502053; NSC782363; NSC800074; s7665; ZINC98209140; AKOS027427006; CH5183284; Debio-1347; CCG-264725; CS-5504; DB12903; NSC-782363; NSC-800074; SB16908; Methanone, (5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl)-1H-indol-2-yl-; NCGC00386433-01; AC-32960; BS-14797; HY-19957; CH 5183284; J3.616.632K; A14415; A901067; Q27285013; (5-amino-1-(2-methyl-3H-benzo[d]imidazol-5-yl)-1H-pyrazol-4-yl)(1H-indol-2-yl)methanone; [5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl) methanone; [5-Amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)-methanone; [5-amino-1-(2-methyl-1H-benzimidazol-5-yl)-1H-pyrazol-4-yl]-(1H-indol-2-yl)methanone; [5-amino-1-(2-methyl-3h-benzimidazol-5-yl)pyrazol-4-yl](1h-indol-2-yl)methanone; 1-(2-Methyl-1H-benzoimidazole-6-yl)-4-(1H-indole-2-ylcarbonyl)-1H-pyrazole-5-amine; LWJ"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12903	.	.	356.4	3	C20H16N6O	105	573	3.9	27	3	4	CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N	"InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)"	BEMNJULZEQTDJY-UHFFFAOYSA-N
DG01613	Tazemetostat	66558664	"Tazemetostat; 1403254-99-8; EPZ-6438; EPZ6438; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; E7438; UNII-Q40W93WPE1; EPZ 6438; E-7438; Tazemetostat (EPZ-6438); Q40W93WPE1; MFCD24849415; N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide; Tazemetostat [INN]; Tazverik; Tazemetostat [USAN]; Tazemetostat (USAN/INN); Tazemetostat [USAN:INN]; E 7438; Tazemetostat(EPZ-6438); GTPL7011; CHEMBL3414621; SCHEMBL13276848; SCHEMBL19325409; SCHEMBL22210809; EX-A509; HMS3653O07; HMS3747A09; AOB87748; BCP07409; EPZ-7438; 2399AH; NSC777109; NSC791066; s7128; AKOS026750211; ZINC100285161; CCG-264672; CS-1758; DB12887; NSC-777109; NSC-791066; SB22955; NCGC00381562-01; NCGC00381562-10; (1,1'-Biphenyl)-3-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(4-morpholinylmethyl)-; AC-30931; AS-55991; DA-34776; HY-13803; N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(oxan-4-yl)amino)-4-methyl-4'-((morpholin-4-yl)methyl)(1,1'-biphenyl)-3-carboxamide; QC-11696; SY040988; FT-0700193; SW220030-1; A12712; D11444; J-690163; J-690164; Q27088941; EPZ-6438; EPZ 6438; E7438; Tazemetostat; E-7438; E 7438; (R,Z)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((2-hydroxy-4-methoxy-6-methylpyridin-3-yl)methyl)-2-methyl-1H-indole-3-carbimi dic acid; 5-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl) methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide; N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4'-(morpholinomethyl)biphenyl-3-carboxamide; N-[(4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-[ethyl(tetrahydropyran-4-yl)amino]-4-methyl-4 inverted exclamation mark -(morpholinomethyl)biphenyl-3-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12887	.	.	572.7	9	C34H44N4O4	83.1	992	4.2	42	2	6	CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5	"InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)"	NSQSAUGJQHDYNO-UHFFFAOYSA-N
DG01614	G007-LK	67960134	"G007-LK; 1380672-07-0; CHEMBL2325503; (E)-4-(5-(2-(4-(2-chlorophenyl)-5-(5-(methylsulfonyl)pyridin-2-yl)-4H-1,2,4-triazol-3-yl)vinyl)-1,3,4-oxadiazol-2-yl)benzonitrile; 4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonylpyridin-2-yl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile; 4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(Methylsulfonyl)pyridin-2-Yl]-4h-1,2,4-Triazol-3-Yl}ethenyl]-1,3,4-Oxadiazol-2-Yl}benzonitrile; benzonitrile, 4-[5-[(1E)-2-[4-(2-chlorophenyl)-5-[5-(methylsulfonyl)-2-pyridinyl]-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-; 4hyf; C25H16ClN7O3S; SCHEMBL9904844; SCHEMBL9904845; AOB4444; EX-A656; G007 LK;G007LK; G-007-LK; 3686AH; BDBM50427989; s7239; ZINC95582938; CCG-269912; NCGC00390587-01; NCGC00390587-03; AC-33045; AS-75199; B5830; A900891; A1-02247; J-690154; Q27451850; (E)-4-(5-(2-(4-(2-Chlorophenyl)-5-(5-(methylsulfonyl)pyridin-2-yl)-4H-1,2,4-triazol-3-yl)vinyl)-1,3,4-oxadiazol-2-yl)benzonitrile;G007-LK; 1-[6-(3,5-Dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone hydrochlorid e (1:1); 1AK; 4-{5-[(1E)-2-[4-(2-chlorophenyl)-5-(5-methanesulfonylpyridin-2-yl)-4H-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	530	6	C25H16ClN7O3S	149	961	3.1	37	0	9	CS(=O)(=O)C1=CN=C(C=C1)C2=NN=C(N2C3=CC=CC=C3Cl)/C=C/C4=NN=C(O4)C5=CC=C(C=C5)C#N	"InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+"	HIWVLHPKZNBSBE-OUKQBFOZSA-N
DG01615	Mps-BAY2b	67974488	"CHEMBL3410060; N-cyclopropyl-4-{8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide; 1263420-68-3; SCHEMBL9938616; BDBM50072833; N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide; 8Q5"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	349.4	6	C20H23N5O	71.3	487	3.8	26	2	4	CC(C)CNC1=NC=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4	"InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)"	QTOFVYOMOKYCEQ-UHFFFAOYSA-N
DG01616	MTOR inhibitors	68026984	"UNII-843G0TDV51; ME-344; 843G0TDV51; 1374524-68-1; 4,4'-(7-Hydroxy-8-methylchroman-3,4-diyl)diphenol; GTPL7961; SCHEMBL10073998; DB13062; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-, (3R,4S)-; Q27083823; 4,4'-((3R,4S)-7-Hydroxy-8-methylchroman-3,4-diyl)diphenol; (3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	.	.	.	348.4	2	C22H20O4	69.9	453	4.4	26	3	4	CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O	"InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1"	QVCAATSEPLQVBX-FPOVZHCZSA-N
DG01617	Brigatinib	68165256	"Brigatinib; 1197953-54-0; ALUNBRIG; AP-26113; UNII-HYW8DB273J; Brigatinib (AP-26113); HYW8DB273J; AP 26113; (2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide; 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)-; 2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-; 5-Chloro-N~4~-[2-(Dimethylphosphoryl)phenyl]-N~2~-{2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)piperidin-1-Yl]phenyl}pyrimidine-2,4-Diamine; Brigatinib [USAN]; Brigatiib; Alunbrig (TN); 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine; 6GY; Brigatinib (JAN/USAN); Brigatinib [USAN:INN]; Brigatinib; AP26113; Brigatinib (AP26113); GTPL7741; CHEMBL3545311; SCHEMBL11916361; EX-A775; AMY10294; BCP17214; BDBM50185140; MFCD29472221; NSC784728; NSC787457; AKOS030257612; ZINC148723177; CS-4278; DB12267; NSC-784728; NSC-787457; SB40412; compound 11q [PMID: 27144831]; NCGC00483924-01; (2-((5-Chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethyl-,delta5-phosphanone; 5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1- yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2,4-Pyrimidinediamine; AC-29958; AS-75176; HY-12857; DB-118419; FT-0700112; S8229; J3.535.964H; D10866; Q27456393"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12267	DR0228	DR00368	584.1	8	C29H39ClN7O2P	85.9	835	4.6	40	2	9	CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC	"InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)"	AILRADAXUVEEIR-UHFFFAOYSA-N
DG01618	GSK126	68210102	"GSK126; 1346574-57-9; GSK-126; GSK 126; GSK2816126; (S)-1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide; EZH2 inhibitor; UNII-W4OGW9QZ97; GSK-2816126; W4OGW9QZ97; CHEMBL3287735; 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide; 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamide; A9G; N-((1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-methyl-1-((1S)-1-methylpropyl)-6-(6-(1-piperazinyl)-3-pyridinyl)-1H-indole-4-carboxamide; N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide; GSK126 HCl; GSK-126 HCl; MLS006010251; GTPL7012; SCHEMBL12180401; AOB1764; EX-A499; SYN5012; CHEBI:124921; BCP06129; BDBM50017293; GSK-2816126A; NSC780041; NSC789702; s7061; ZINC72318146; AKOS027322309; CCG-269895; CS-1401; NSC-780041; NSC-789702; QC-9703; NCGC00347286-01; 1H-Indole-4-carboxamide, N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-methyl-1-((1S)-1-methylpropyl)-6-(6-(1-piperazinyl)-3-pyridinyl)-; AS-16379; HY-13470; SMR004701327; X5824; Q27077865; EZH2 inhibitor;GSK-126;GSK 126;GSK2816126A;GSK-2816126A;GSK 2816126A; (S)-1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide; N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:124921	.	.	.	526.7	7	C31H38N6O2	91.3	972	3.9	39	3	5	CC[C@H](C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C	"InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1"	FKSFKBQGSFSOSM-QFIPXVFZSA-N
DG01619	BAY1125976	70817911	"BAY1125976; 1402608-02-9; BAY-1125976; UNII-ZL7A1UM87X; ZL7A1UM87X; 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide; Imidazo[1,2-b]pyridazine-6-carboxamide, 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-; 1402608-02-9 (free base); 2-(4-(1-aminocyclobutyl)phenyl)-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide; 2-(4-(1-Aminocyclobutyl)phenyl)-3-phenylimidazo(1,2-b)pyridazine-6-carboxamide; Imidazo(1,2-b)pyridazine-6-carboxamide, 2-(4-(1-aminocyclobutyl)phenyl)-3-phenyl-; CHEMBL4751394; SCHEMBL12986078; US9604989, Example 5; GTPL10908; BDBM312517; BCP20659; CGC60802; EX-A3015; BAY112576; NSC793324; s8500; ZINC205604296; BAY-112576; CS-6212; NSC-793324; SB19771; BAY 1125976; Example 5 [WO2012136776A1]; AC-33646; HY-100018; BAY1125976;BAY 1125976; A921724"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	383.4	4	C23H21N5O	99.3	594	2.4	29	2	4	C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N	"InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)"	JBGYKRAZYDNCNV-UHFFFAOYSA-N
DG01620	ARQ 751	71138858	"Vevorisertib; UNII-V6SX910Y31; V6SX910Y31; 1416775-46-6; Vevorisertib [INN]; CHEMBL4802156; SCHEMBL14322498; ARQ-751; EX-A5803; HY-137458; CS-0138665; Acetamide, N-(1-(3-(3-(4-(1-aminocyclobutyl)phenyl)-2-(2-amino-3-pyridinyl)-3H-imidazo(4,5-b)pyridin-5-yl)phenyl)-4-piperidinyl)-N-methyl-; N-[1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]piperidin-4-yl]-N-methylacetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	586.7	6	C35H38N8O	119	976	4	44	2	7	CC(=O)N(C)C1CCN(CC1)C2=CC=CC(=C2)C3=NC4=C(C=C3)N=C(N4C5=CC=C(C=C5)C6(CCC6)N)C7=C(N=CC=C7)N	"InChI=1S/C35H38N8O/c1-23(44)41(2)26-15-20-42(21-16-26)28-7-3-6-24(22-28)30-13-14-31-34(39-30)43(33(40-31)29-8-4-19-38-32(29)36)27-11-9-25(10-12-27)35(37)17-5-18-35/h3-4,6-14,19,22,26H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)"	NZDSLYATTDIDPH-UHFFFAOYSA-N
DG01621	AGI-6780	71299339	"AGI-6780; 1432660-47-3; AGI6780; N-cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide; AGI 6780; 1-[5-(Cyclopropylsulfamoyl)-2-Thiophen-3-Yl-Phenyl]-3-[3-(Trifluoromethyl)phenyl]urea; 1-[5-(CYCLOPROPYLSULFAMOYL)-2-(THIOPHEN-3-YL)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA; MLS006011046; CHEMBL3392845; SCHEMBL15702521; AOB2268; C21H18F3N3O3S2; DTXSID50744321; EX-A356; QCR-283; BDBM339679; HMS3653I21; HMS3744K17; HMS3865L13; BCP07383; 2198AH; FD5013; MFCD26097285; NSC781409; s7241; US10202339, Compound 124; ZINC95803998; AKOS024462890; CCG-269561; CS-1556; NSC-781409; SB19578; NCGC00347935-01; NCGC00347935-02; NCGC00347935-08; AS-55922; DA-35354; HY-15734; SMR004702838; FT-0764734; SW220033-1; Q27452174; S900006230; 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea; 3-(5-(cyclopropylsulfamoyl)-2-(thiophen-3-yl)phenyl)-1-(3-(trifluoromethyl)phenyl)urea; N-Cyclopropyl-3-[3-[3-(trifluoromethyl)phenyl]ureido]-4-(3-thienyl)benzenesulfonamide; 1K9; N-Cyclopropyl-4-(thiophen-3-yl)-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide; N-Cyclopropyl-4-(thiophen-3-yl)-3-(3-(3-(trifluoromethyl)phenyl)ureido)benzenesulfonamide  "	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	481.5	6	C21H18F3N3O3S2	124	771	4.2	32	3	8	C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F	"InChI=1S/C21H18F3N3O3S2/c22-21(23,24)14-2-1-3-16(10-14)25-20(28)26-19-11-17(32(29,30)27-15-4-5-15)6-7-18(19)13-8-9-31-12-13/h1-3,6-12,15,27H,4-5H2,(H2,25,26,28)"	CCAWRGNYALGPQH-UHFFFAOYSA-N
DG01622	AZ5104	71496460	"AZ5104; 1421373-98-9; AZ-5104; N-(5-((4-(1H-indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide; UNII-2DWZ6SE1E1; 2DWZ6SE1E1; CHEMBL3353411; N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide; AZD5104; AZ 5104; Osimertinib metabolite M6; SCHEMBL14663428; GTPL11580; EX-A824; AMY16678; AOB87166; BCP08428; HY-B0793; BDBM50029689; MFCD28899992; s7298; AKOS025404698; ZINC147059673; CCG-269587; CS-5192; NCGC00387805-01; AS-55926; DA-45003; QC-11825; B5836; FT-0733191; F14245; A885228; 2-Propenamide, N-(2-((2-(dimethylamino)ethyl)methylamino)-5-((4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-4-methoxyphenyl)-; N-(2-((2-(Dimethylamino)ethyl)methylamino)-5-((4-(1H-indol-3-yl)-2-pyrimidinyl)amino)-4-methoxyphenyl)-2-propenamide; N-(2-[2-Dimethylaminoethyl-methylamino]-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide; N-(2-{[2-(DIMETHYLAMINO)ETHYL](METHYL)AMINO}-5-{[4-(1H-INDOL-3-YL)PYRIMIDIN-2-YL]AMINO}-4-METHOXYPHENYL)PROP-2-ENAMIDE; N-[2-(2-Dimethylaminoethylmethylamino)-5-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	485.6	10	C27H31N7O2	98.4	722	3.8	36	3	7	CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CNC4=CC=CC=C43)OC	"InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)"	IQNVEOMHJHBNHC-UHFFFAOYSA-N
DG01623	Ripretinib	71584930	"1442472-39-0; DCC-2618; N-{4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3- yl]-2-fluorophenyl}-N'-phenylurea; Ripretinib; Urea, N-[4-bromo-5-[1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6- naphthyridin-3-yl]-2-fluorophenyl]-N'-phenyl-39-0; Ripretinib free base; Ripretinib (DCC-2618); UNII-9XW757O13D; 9XW757O13D; Ripretinib (USAN); Ripretinib [USAN]; 1442472-39-0 (free base); 1-(4-bromo-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-3-phenylurea; 1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea; Quinlock; Qinlock (TN); GTPL9175; CHEMBL4216467; SCHEMBL14999718; DCC2618; BCP29218; EX-A4883; s8757; AT18473; DB14840; HY-112306; CS-0044835; D11353; DCC 2618;DCC2618;KIT/PDGFR inhibitor;Ripretinib; N-(4-bromo-5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenylurea; Urea, N-(4-bromo-5-(1-ethyl-1,2-dihydro-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl)-2-fluorophenyl)-N'-phenyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB14840	.	.	510.4	5	C24H21BrFN5O2	86.4	746	4.1	33	3	5	CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC	"InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)"	CEFJVGZHQAGLHS-UHFFFAOYSA-N
DG01624	BAY1161909	71599640	"Empesertib; 1443763-60-7; Mps1-IN-5; BAY 1161909; BAY-1161909; BAY1161909; UNII-02Y3Z2756M; 02Y3Z2756M; (2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide; (-)-BAY-1161909; (2R)-2-(4-Fluorophenyl)-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide; Empesertib [INN]; Empesertib [WHO-DD]; GTPL9427; CHEMBL4303241; SCHEMBL15036597; BDBM329334; BCP23811; EX-A3543; BAY1161909;Mps1-IN-5; NSC787025; AKOS028109757; ZINC206769279; CS-4887; NSC-787025; US9663510, Example 01.01; NCGC00488781-01; AS-82506; BB177693; Benzeneacetamide, 4-fluoro-N-[4-[2-[[2-methoxy-4-(methylsulfonyl)phenyl]amino][1,2,4]triazolo[1,5-a]; Benzeneacetamide, 4-fluoro-N-[4-[2-[[2-methoxy-4-(methylsulfonyl)phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]- -methyl-, ( R)-; HY-12858; D83662; A908652; BAY1161909; BAY-1161909; BAY 1161909;Mps1-IN-5; (2R)-2-(4-Fluorophenyl)-N-(4-(2-((4-(methanesulfonyl)-2-methoxyphenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]-amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]propanamide; (2R)-2-(4-fluorophenyl)-N-[4-(2-{[2-methoxy-4-(methylsulfonyl)phenyl]amino}[1,2,4]triazolo[1,5-alpha]pyridin-6-yl)phenyl]propanamide; (alphaR)-4-Fluoro-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)-alpha-methylbenzeneacetamide; Benzeneacetamide, 4-fluoro-N-(4-(2-((2-methoxy-4-(methylsulfonyl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyridin-6-yl)phenyl)-alpha-methyl-, (alphaR)-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	559.6	8	C29H26FN5O4S	123	951	4.9	40	2	8	C[C@H](C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3	"InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1"	NRJKIOCCERLIDG-GOSISDBHSA-N
DG01625	Ivosidenib	71657455	"Ivosidenib; 1448347-49-6; AG-120; Tibsovo; AG120; UNII-Q2PCN8MAM6; Q2PCN8MAM6; (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; (S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; RG120; ivosidenibum; (2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; Ivosidenib [INN]; Tibsovo (TN); Ivosidenib [USAN]; Ivosidenib [WHO-DD]; Ivosidenib (USAN/INN); Ivosidenib [USAN:INN]; GTPL9217; CHEMBL3989958; SCHEMBL15122512; EX-A992; CHEBI:145430; BDBM363689; AMY38924; US9850277, Compound 176; MFCD29036964; NSC789102; s8206; ZINC205136523; CCG-270141; CS-5122; DB14568; NSC-789102; NCGC00476170-04; NCGC00476170-06; (S)-N-((S)-1-(2-chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-; AC-32624; AS-35058; HY-18767; A14386; D11090; A900315; Q27895417; (2S)-1-(4-Cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chloroPh)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-glycinamide; (S)-N-((S)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide;AG-120; (S)-N-((S)-1-(2-chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; Glycinamide, 1-(4-cyano-2-pyridinyl)-5-oxo-L-prolyl-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-N2-(5-fluoro-3-pyridinyl)-, (2S)-; N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:145430	DB14568	.	DR00362	583	7	C28H22ClF3N6O3	119	1050	3.4	41	1	9	C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N	"InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1"	WIJZXSAJMHAVGX-DHLKQENFSA-N
DG01626	Naquotinib	71667668	"Naquotinib; 1448232-80-1; ASP8273; UNII-47DD4548PB; 2-Pyrazinecarboxamide, 6-ethyl-3-[[4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[[(3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]oxy]-; 47DD4548PB; ASP-8273; 6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide; (R)-5-((1-acryloylpyrrolidin-3-yl)oxy)-6-ethyl-3-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrazine-2-carboxamide; e-2-carboxamide; 2-Pyrazinecarboxamide, 6-ethyl-3-((4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-(((3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl)oxy)-; Naquotinib [USAN]; Naquotinib (USAN/INN); ASP8273 (Naquotinib); Naquotinib; ASP-8273; GTPL9248; CHEMBL3663929; SCHEMBL16196078; BDBM170514; EX-A2669; YHC23280; NSC793322; s8412; ZINC205341959; CCG-270060; CS-5469; DB12036; NSC-793322; AS-75247; HY-19729; J3.496.214F; A14408; C91356; D10958; US9085540, 54; A857977; Q27074546; 5-[[(3R)-1-Acryloylpyrrolidine-3-yl]oxy]-6-ethyl-3-[4-[4-(4-methylpiperazine-1-yl)piperidino]anilino]pyrazine-2-carboxamide; 6-Ethyl-3-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)-5-(((3R)-1-(1-oxoprop-2-en-1-yl)pyrrolidin-3-yl)oxy)pyrazine-2-carboxamide; 6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide; 6-Ethyl-3-(4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)anilino)-5-(((3R)-1-(prop-2-enoyl)pyrrolidin-3-yl)oxy)pyrazine-2-carboxamide; 6-Ethyl-3-[[4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[[(3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]oxy]-2-pyrazinecarboxamide; 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12036	.	.	562.7	9	C30H42N8O3	120	883	3.4	41	2	9	CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C	"InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1"	QKDCLUARMDUUKN-XMMPIXPASA-N
DG01627	TAS-121	71682991	"UNII-Z36593C4RW; Z36593C4RW; SCHEMBL15220964; TAS-121; (S)-N-(4-amino-5-(quinolin-3-yl)-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl)acrylamide; 1451370-01-6; 2-Propenamide, N-((8S)-4-amino-6,7,8,9-tetrahydro-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-; N-((8S)-4-Amino-6,7,8,9-tetrahydro-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-2-propenamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	384.4	3	C22H20N6O	98.7	628	2.5	29	2	5	C=CC(=O)N[C@H]1CCC2=C(C3=C(N=CN=C3N2C1)N)C4=CC5=CC=CC=C5N=C4	"InChI=1S/C22H20N6O/c1-2-18(29)27-15-7-8-17-19(14-9-13-5-3-4-6-16(13)24-10-14)20-21(23)25-12-26-22(20)28(17)11-15/h2-6,9-10,12,15H,1,7-8,11H2,(H,27,29)(H2,23,25,26)/t15-/m0/s1"	POOPTPRMXSYFRV-HNNXBMFYSA-N
DG01628	LY3009120	71721540	"LY3009120; 1454682-72-4; LY-3009120; DP-4978; UNII-1GDT36RARO; LY 3009120; 1GDT36RARO; DP 4978; 1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea; CHEMBL3577124; 1-(3,3-Dimethylbutyl)-3-{2-Fluoro-4-Methyl-5-[7-Methyl-2-(Methylamino)pyrido[2,3-D]pyrimidin-6-Yl]phenyl}urea; 1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)urea; N-(3,3-Dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea; Urea, N-(3,3-dimethylbutyl)-N'-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido(2,3-d)pyrimidin-6-yl)phenyl)-; 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea; Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-; GTPL8943; SCHEMBL15241297; CHEBI:167662; BCP23869; EX-A1638; BDBM50096279; DP4978; NSC781761; NSC801010; s7842; ZINC205861291; CCG-268937; NSC-781761; NSC-801010; SB16924; NCGC00481604-01; AC-30240; AS-74984; HY-12558; QC-11801; DP-4978;LY-3009120; J3.580.324F; C72761; Q27082823; B2693-470864; 1-(2-Fluoro-4-methyl-5-(2-methylamino-7-methylpyrido[2,3-d]pyrimidine-6-yl)phenyl)-3-(3,3-dimethylbutyl)urea; 3-(3,3-DIMETHYLBUTYL)-1-{2-FLUORO-4-METHYL-5-[7-METHYL-2-(METHYLAMINO)PYRIDO[2,3-D]PYRIMIDIN-6-YL]PHENYL}UREA; 4Z5"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	424.5	6	C23H29FN6O	91.8	599	4.7	31	3	6	CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F	"InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)"	HHCBMISMPSAZBF-UHFFFAOYSA-N
DG01629	ACY-957	72374405	"1609389-52-7; ACY-957; N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide; HDAC Inhibitor C001; N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-ylquinoline-6-carboxamide; CHEMBL3927842; SCHEMBL15666003; BDBM182757; BCP25969; BA168232; US9145412, Table 1, Compound 23; ACY957;ACY 957;HDAC Inhibitor C001; HY-104008; CS-0023625; N-(2-Amino-5-(thiophen-2-yl)phenyl)-2-(piperazin-1-yl)quinoline-6-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	429.5	4	C24H23N5OS	112	615	3.5	31	3	6	C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N	"InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)"	VURDNNVAYZDGDK-UHFFFAOYSA-N
DG01630	Nazartinib	72703790	"Nazartinib; EGF816; 1508250-71-2; EGF-816; UNII-KE7K32EME8; EGF 816; NVP-EGF816-NX; KE7K32EME8; CHEMBL3787344; NVS-816; N-[7-chloro-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide; N-{7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide; Nazartinib [USAN]; Nazartinib(EGF816); Nazartinib (USAN/INN); GTPL9204; SCHEMBL16767232; SCHEMBL16767240; EX-A1640; BDBM50160870; NSC787027; s7824; Nazartinib (EGF816, NVS-816); ZINC210610738; CCG-269658; NSC-787027; compound 47 [PMID: 27433829]; (R,E)-N-(7-chloro-1-(1-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide; AC-29881; AS-75243; HY-12872; B5889; J3.535.960E; A14416; C72867; D11430; A884136; Q27087855; 4-Pyridinecarboxamide, N-[7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-1H-benzimidazol-2-yl]-2-methyl-; N-[7-chloro-1-[(3r)-1-[(2e)-4-(dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1h-azepin-3-yl]-1h-benzimidazol-2-yl]-2-methyl-4-pyridinecarboxamide"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB16250	.	.	495	6	C26H31ClN6O2	83.4	764	3.2	35	1	5	CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2[C@@H]4CCCCN(C4)C(=O)/C=C/CN(C)C)C(=CC=C3)Cl	"InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1"	IOMMMLWIABWRKL-WUTDNEBXSA-N
DG01631	Abivertinib	72734520	"Avitinib; Abivertinib; 1557267-42-1; AC0010; N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide; UNII-CER0OPG92L; CER0OPG92L; AC0010MA; EX-ACEA0010; ACEA100610; Abivertinib (USAN); Abivertinib [USAN]; 1557267-42-1 (free base); AC-0010; A610; N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide; 2-Propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-; N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy-phenyl)-acrylamide; Avitinib free base; 2-Propenamide, N-(3-((2-((3-fluoro-4-(4-methyl-1-piperazinyl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)-; FUJOVEE; Avitinib (AC0010); avitinib (superceded INN); CHEMBL4297865; SCHEMBL15453394; GTPL10044; EX-A783; BDBM294480; Avitinib(AC0010/AC0010MA); BCP16381; US9586965, Cpd 3; MFCD29089376; s8741; ZINC142081723; AC 0010; CS-W008904; DB15327; DS-19269; HY-19816; N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide; CS-0016789; A16826; D11308; F17427; A927386; N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phenyl)amino)-7H-pyrrolo[2,3-d]- pyrimidin-4-yl)oxy)phenyl)acrylamide; N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide; N-(3-(2-(3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl)acrylamide; N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]-2-propenamide"	Patented	3	Patented Agent(s)	Patented	Small molecular drug	.	.	DB15327	.	.	487.5	7	C26H26FN7O2	98.4	752	4.2	36	3	8	CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F	"InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)"	UOFYSRZSLXWIQB-UHFFFAOYSA-N
DG01632	EBI-907	73427153	CHEMBL3751896; EBI-907; 1581764-31-9; SCHEMBL15577685; BDBM50140046; SB19682	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	507	8	C23H21ClF2N4O3S	105	817	4.6	34	2	8	COC1=C(C=C2C=NC3=NNC(=C3C2=C1)C4CC4)C5=C(C=CC(=C5Cl)NS(=O)(=O)CCCF)F	"InChI=1S/C23H21ClF2N4O3S/c1-33-18-10-14-13(11-27-23-20(14)22(28-29-23)12-3-4-12)9-15(18)19-16(26)5-6-17(21(19)24)30-34(31,32)8-2-7-25/h5-6,9-12,30H,2-4,7-8H2,1H3,(H,27,28,29)"	JSKJFDXTKYWPAH-UHFFFAOYSA-N
DG01633	AZD-8835	76685059	"AZD8835; AZD-8835; 1620576-64-8; AZD 8835; 1-(4-(5-(5-Amino-6-(5-(tert-butyl)-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one; UNII-8B97A88D35; 8B97A88D35; 1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one; 1-Propanone, 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-pyrazinyl]-1-ethyl-1H-1,2,4-triazol-3-yl]-1-piperidinyl]-3-hydroxy-; 1-(4-(5-(5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-1-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-3-hydroxypropan-1-one; 1-Propanone, 1-(4-(5-(5-amino-6-(5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)-2-pyrazinyl)-1-ethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl)-3-hydroxy-; compound 25 [PMID: 26475521]; GTPL8915; CHEMBL3894518; SCHEMBL15877923; AZD 8835 [WHO-DD]; BDBM185362; BCP20347; EX-A2295; NSC786099; s7966; ZINC145460849; CCG-269444; CS-4984; NSC-786099; NCGC00484075-01; AC-32648; HY-12869; A16352; US9156831, 3; Q27074810; 1-[4-[5-[5-amino-6-[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]-2-; 1-[4-[5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-hydroxypropan-1-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	469.5	7	C22H31N9O3	162	685	0.1	34	2	10	CCN1C(=NC(=N1)C2CCN(CC2)C(=O)CCO)C3=CN=C(C(=N3)C4=NN=C(O4)C(C)(C)C)N	"InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)"	ZGRDYKFVDCFJCZ-UHFFFAOYSA-N
DG01634	AZD-3759	78209992	"AZD3759; 1626387-80-1; zorifertinib; AZD-3759; AZD 3759; (R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate; UNII-67SX9H68W2; CHEMBL3623290; 67SX9H68W2; 4-[(3-CHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL (2R)-2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE; (2R)-2,4-dimethyl-1-piperazinecarboxylic acid, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester; [4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate; 4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate; SCHEMBL16010006; GTPL10456; EX-A720; AMY10302; BDBM50123453; MFCD29058564; NSC788121; NSC800978; s7971; AKOS027327321; ZINC221149242; CCG-269329; CS-5029; DB14795; NSC-788121; NSC-800978; compound 1m [PMID: 26313252]; NCGC00483922-01; NCGC00483922-02; AC-29957; AS-74755; HY-18750; A882818; (2R)-2,4-Dimethyl-1-piperazinecarboxylic acid 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester; (2R)-2,4-Dimethylpiperazine-1-carboxylic acid (4-(2-fluoro-3-chloroanilino)-7-methoxyquinazoline-6-yl) ester; (R)-4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB14795	.	.	459.9	5	C22H23ClFN5O3	79.8	649	4.1	32	1	8	C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C	"InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1"	MXDSJQHFFDGFDK-CYBMUJFWSA-N
DG01635	BAY1217389	78320750	"1554458-53-5; BAY1217389; Bay 1217389; BAY-1217389; UNII-M964LB1114; M964LB1114; Benzamide, N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-; N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide; N-Cyclopropyl-4-(6-(2,3-difluoro-4-methoxyphenoxy)-8-((3,3,3-trifluoropropyl)amino)imidazo[1,2-b]pyridazin-3-yl)-2-methylbenzamide; Benzamide, N-cyclopropyl-4-(6-(2,3-difluoro-4-methoxyphenoxy)-8-((3,3,3-trifluoropropyl)amino)imidazo(1,2-b)pyridazin-3-yl)-2-methyl-; N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide; CHEMBL4456085; SCHEMBL15555839; EX-A948; BDBM258444; BCP17401; NSC787026; s8215; ZINC221039372; CCG-265387; CS-6182; NSC-787026; HY-12859; FT-0700219; US9512130, 2; J-690208; 1-(6-Isoquinolinyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	561.5	9	C27H24F5N5O3	89.8	867	5.7	40	2	11	CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5	"InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)"	WNEILUNVMHVMPH-UHFFFAOYSA-N
DG01636	E7090	78323434	"E-7090; E7090; 1622204-21-0; tasurgratinib; TN7CUD1NGA; UNII-TN7CUD1NGA; 5-((2-(4-(1-(2-hydroxyethyl)piperidin-4-yl)benzamido)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide; 5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide; CHEMBL3686884; SCHEMBL15955142; GTPL11414; BDBM142256; Fgf/fgfr pathway inhibitor E7090; BCP29727; EX-A2908; NSC806388; NSC-806388; SB18854; Example 22 [WO2014129477A1]; HY-101466; CS-0021430; E 7090; E7090; US8933099, 22; Q27896113; 1H-Indole-1-carboxamide, 5-((2-((4-(1-(2-hydroxyethyl)-4-piperidinyl)benzoyl)amino)-4-pyridinyl)oxy)-6-(2-methoxyethoxy)-N-methyl-; 5-((2-(((4-(1-(2-Hydroxyethyl)piperidin-4-yl)phenyl)carbonyl)amino)pyridin-4-yl)oxy)-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	587.7	11	C32H37N5O6	127	880	3.1	43	3	8	CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO	"InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)"	IBHOLSBDZMIPPT-UHFFFAOYSA-N
DG01637	G-749	78357765	"G-749; 1457983-28-6; G749; UNII-B06W426B66; 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one; B06W426B66; 8-Bromo-2-((1-methylpiperidin-4-yl)amino)-4-((4-phenoxyphenyl)amino)pyrido[4,3-D]pyrimidin-5(6H)-one; C25H25BrN6O2; GTPL8108; CHEMBL4544478; SCHEMBL15265027; AOB87764; BCP11201; EX-A1074; 2183AH; MFCD28167815; s7545; ZINC95644293; AKOS026750566; CCG-269863; CS-3343; NCGC00386412-04; AC-33000; BS-15433; DA-33613; HY-12333; QC-11719; FT-0700207; G 749; G 749;G749; A14214; A899265; J-690186; Q27077763; 8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-[(4-phenoxyphenyl)amino]-5H,6H-pyrido[4,3-d]pyrimidin-5-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	521.4	6	C25H25BrN6O2	91.4	716	4.9	34	3	7	CN1CCC(CC1)NC2=NC3=C(C(=O)NC=C3Br)C(=N2)NC4=CC=C(C=C4)OC5=CC=CC=C5	"InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)"	SXWMIXPJPNCXQQ-UHFFFAOYSA-N
DG01638	Ropeginterferon alfa-2b	86278347	Ropeginterferon-alfa-2b; SCHEMBL23594684	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB15119	.	.	447.5	18	C20H37N3O8	136	535	-1.3	31	3	9	COCCOC(=O)NCCCCC(CCN1CCC[C@H]1C(=O)O)NC(=O)OCCOC	"InChI=1S/C20H37N3O8/c1-28-12-14-30-19(26)21-9-4-3-6-16(22-20(27)31-15-13-29-2)8-11-23-10-5-7-17(23)18(24)25/h16-17H,3-15H2,1-2H3,(H,21,26)(H,22,27)(H,24,25)/t16 ,17-/m0/s1"	LICFWYDUJZDCLK-DJNXLDHESA-N
DG01639	MRX-2843	89495685	"MRX-2843; 1429882-07-4; UNC-2371A; UNII-2MT30EHI63; 2MT30EHI63; CHEMBL3326007; (1r,4r)-4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol; Cyclohexanol, 4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, trans-; trans-4-(2-((2-Cyclopropylethyl)amino)-5-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexanol; UNC2371A; SCHEMBL14854108; SCHEMBL17175579; UNC2371UNC2371; BDBM350861; BCP30180; BDBM50055490; MFCD28502224; s6839; ZINC299829706; CS-8117; SB17283; AS-35252; HY-101549; MRX-2843; (UNC-2371A); US9795606, B20; A16958; UNC2371;UNC-2371;UNC 2371;MRX 2843 ;MRX2843; 4-[2-(2-cyclopropylethylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol; trans-(1R,4R)-4-(2-((2-cyclopropylethyl)amino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	488.7	8	C29H40N6O	69.4	681	4.2	36	2	6	CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(C4=NC(=NC=C34)NCCC5CC5)C6CCC(CC6)O	"InChI=1S/C29H40N6O/c1-33-14-16-34(17-15-33)19-22-4-6-23(7-5-22)27-20-35(24-8-10-25(36)11-9-24)28-26(27)18-31-29(32-28)30-13-12-21-2-3-21/h4-7,18,20-21,24-25,36H,2-3,8-17,19H2,1H3,(H,30,31,32)"	LBEJYFVJIPQSNX-UHFFFAOYSA-N
DG01640	Lifirafenib	89670174	"Lifirafenib; BGB-283; Beigene-283; 1446090-77-2; 1446090-79-4; 5-(((1R,1aS,6bR)-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl)oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one; Bgb 283; UNII-8762XZS5ZF; 8762XZS5ZF; 5-(((1R,1aS,6bR)-1-(6-(Trifluoromethyl)-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one; BGB283; 5-({(1r,1as,6br)-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1a,6b-Dihydro-1h-Cyclopropa[b][1]benzofuran-5-Yl}oxy)-3,4-Dihydro-1,8-Naphthyridin-2(1h)-One; 5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one; compound 2.2b; 5-{{(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy}-3,4-dihydro-1,8-naphthyridin-2(1h)-one; Lifirafenib [USAN]; Lifirafenib (USAN/INN); BGB-283;Beigene-283; GTPL8958; CHEMBL4209157; SCHEMBL15085288; BDBM372968; EX-A1473; US9895376, Compound 2.2b; WHC09077; WHC09079; Lifirafenib;BGB-283;Beigene-283; BDBM50453816; WHO 10554; ZINC68764621; CS-6308; DB14773; HY-18957; D11410; A900647; Q27075193; 1,8-Naphthyridin-2(1H)-one, 5-(((1R,1aS,6bR)-1a,6b-dihydro-1-(6-(trifluoromethyl)-1H-benzimidazol-2-yl)-1H-cyclopropa(b)benzofuran-5-yl)oxy)-3,4-dihydro-; 3K3"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	DB14773	.	.	478.4	3	C25H17F3N4O3	89.1	845	3.7	35	2	8	C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F	"InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1"	NGFFVZQXSRKHBM-FKBYEOEOSA-N
DG01641	Enasidenib	89683805	"Enasidenib; 1446502-11-9; AG-221; AG-221 (Enasidenib); CC-90007 Free Base; IDHIFA; UNII-3T1SS4E7AG; AG 221; 2-Methyl-1-(4-(6-(trifluoromethyl)pyridin-2-yl)-6-(2-(trifluoromethyl)pyridin-4-ylamino)-1,3,5-triazin-2-ylamino)propan-2-ol; CC-90007; 3T1SS4E7AG; 2-methyl-1-((4-(6-(trifluoromethyl)pyridin-2-yl)-6-((2-(trifluoromethyl)pyridin-4-yl)amino)-1,3,5-triazin-2-yl)amino)propan-2-ol; 2-Methyl-1-[(4-[6-(Trifluoromethyl)pyridin-2-Yl]-6-{[2-(Trifluoromethyl)pyridin-4-Yl]amino}-1,3,5-Triazin-2-Yl)amino]propan-2-Ol; 2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol; 2-Propanol, 2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-; 2-Propanol, 2-methyl-1-((4-(6-(trifluoromethyl)-2-pyridinyl)-6-((2-(trifluoromethyl)-4-pyridinyl)amino)-1,3,5-triazin-2-yl)amino)-; Enasidenib [INN]; enasidenibum; AG221; 2-methyl-1-({4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl}amino)propan-2-ol; AG-221(Enasidenib); AG-221; Enasidenib; Enasidenib; AG-221; Enasidenib (USAN/INN); Enasidenib [USAN:INN]; GTPL8960; CHEMBL3989908; SCHEMBL15102202; EX-A654; CHEBI:145374; HMS3873D03; AMY38698; BCP16041; BDBM50503251; MFCD29472245; NSC788120; s8205; AKOS026750439; ZINC222731806; CCG-269476; CS-5017; DB13874; NSC-788120; SB19193; NCGC00479249-03; NCGC00479249-05; AC-31318; AS-75164; HY-18690; FT-0700204; D10901; A857662; J-690181; Q27077182; B0084-470859; AG-221; AG 221; AG221; CC-90007; CC 90007; CC90007; 69Q"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	CHEBI:145374	DB13874	DR0574	.	473.4	6	C19H17F6N7O	109	635	3.5	33	3	14	CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O	"InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)"	DYLUUSLLRIQKOE-UHFFFAOYSA-N
DG01642	M2698	89808643	"M2698 free base; M2698; 1379545-95-5; MSC2363318A; UNII-0DXG50I4WD; 0DXG50I4WD; 1379545-95-5 (free base); M-2698; (S)-4-((2-(Azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)quinazoline-8-carboxamide; SCHEMBL15262358; BCP19488; EX-A1187; MSC-2363318A; NSC795142; DB15431; NSC-795142; HY-100501; CS-0019628; M2698(MSC-2363318A); M-2698;M 2698; MSC-2363318A; MSC 2363318A; MSC2363318A; 4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide; 8-Quinazolinecarboxamide, 4-(((1S)-2-(1-azetidinyl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)-"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	449.9	6	C21H19ClF3N5O	84.1	635	3.9	31	2	8	C1CN(C1)C[C@H](C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N	"InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1"	HXAUJHZZPCBFPN-QGZVFWFLSA-N
DG01643	FF-10101	90052320	"FF-10101; 1472797-69-5; UNII-7V7IHI0SYG; 7V7IHI0SYG; (S,E)-N-(1-((5-(2-((4-Cyanophenyl)amino)-4-(propylamino)pyrimidin-5-yl)pent-4-yn-1-yl)amino)-1-oxopropan-2-yl)-4-(dimethylamino)-N-methylbut-2-enamide; CHEMBL4650283; SCHEMBL15584726; SCHEMBL16443760; BDBM397428; BCP23613; s8899; US9987278, Compound Reference 38; Ff-10101-01; HY-109584; CS-0032038; FF 10101; FF10101; D87147; (E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide; 2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophenyl)amino)-4-(propylamino)-5-pyrimidinyl)-4-pentyn-1-yl)amino)-1-methyl-2-oxoethyl)-4-(dimethylamino)-N-methyl-, (2E)-"	Phase 1/2	8	Clinical Trial Drug(s)	Phase 1/2	Small molecular drug	.	.	.	.	.	530.7	14	C29H38N8O2	126	906	3.6	39	3	8	CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N	"InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1"	HJFSVYUFOXAVAA-YUAYGMJFSA-N
DG01644	PLX8394	90116675	"PLX8394; 1393466-87-9; PLX-8394; UNII-J2L7Z273SG; J2L7Z273SG; PLX 8394; (3R)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide; (R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide; GTPL9131; CHEMBL4303729; SCHEMBL15666953; BDBM317826; BCP19619; EX-A1461; PLX 8394;PLX8394; NSC797932; NSC801007; s7965; ZINC144705377; CS-5123; NSC-797932; NSC-801007; US9624213, Compound P-0338; NCGC00483921-01; BP168493; BS-15485; HY-18972; A16840; D83660; A900333; Q27088419; 1-Pyrrolidinesulfonamide, N-(3-((5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-3-fluoro-, (3R)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB16038	.	.	542.5	7	C25H21F3N6O3S	129	976	2.8	38	2	11	C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CN=C(N=C5)C6CC6)F	"InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1"	YYACLQUDUDXAPA-MRXNPFEDSA-N
DG01645	PLX7904	90116945	"PLX7904; 1393465-84-3; PB04; PLX-7904; 5-(2-Cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine; N'-(3-{[5-(2-Cyclopropylpyrimidin-5-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]carbonyl}-2,4-Difluorophenyl)-N-Ethyl-N-Methylsulfuric Diamide; Sulfamide, N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-; CHEMBL4206836; SCHEMBL15667328; BDBM317744; PLX7904(PB04); BCP18248; EX-A2872; s7964; ZINC144822687; CCG-269789; CS-5129; US9624213, Compound P-0240; HY-18997; A901658; Q27456931; ({3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}sulfamoyl)(ethyl)methylamine; N'-[3-[[5-(2-cyclopropyl-5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-N-ethyl-N-methyl-sulfamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	512.5	8	C24H22F2N6O3S	129	895	2.6	36	2	10	CCN(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(N=C4)C5CC5)F	"InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)"	DKNZQPXIIHLUHU-UHFFFAOYSA-N
DG01646	RAF709	90408826	"RAF709; 1628838-42-5; RAF-709; N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide; N-{2-Methyl-5'-(Morpholin-4-Yl)-6'-[(Oxan-4-Yl)oxy][3,3'-Bipyridin]-5-Yl}-3-(Trifluoromethyl)benzamide; CHEMBL3962812; SCHEMBL16035801; BDBM202784; BCP19140; EX-A1298; s8690; AKOS030632027; CCG-269969; CS-6074; BS-15948; HY-100510; J3.655.460F; A16842; C73133; US9242969, 131; 92J; N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide; N-(2-Methyl-5'-morpholino-6'-(tetrahydro-2H-pyran-4-yloxy)-3,3'-bipyridin-5-yl)-3-(trifluoromethyl)benzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	542.5	6	C28H29F3N4O4	85.8	793	4	39	1	10	CC1=C(C=C(C=N1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=C(N=C3)OC4CCOCC4)N5CCOCC5	"InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)"	FYNMINFUAIDIFL-UHFFFAOYSA-N
DG01647	FIIN-2	91825767	"FIIN-2; 1633044-56-0; FIIN2; CHEMBL4065323; N-(4-((3-(3,5-Dimethoxyphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide; FIIN 2; SCHEMBL17857061; BCP14779; EX-A1742; BDBM50232829; s7714; AKOS025287401; ZINC250363839; CCG-270298; CS-5343; NCGC00484066-01; AC-32963; BF179868; HY-18602; DS-015817; A900505; N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]methyl}phenyl)prop-2-enamide; N-[4-[[3-(3,5-dimethoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	634.7	10	C35H38N8O4	115	1030	4	47	2	9	CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)CC5=CC=C(C=C5)NC(=O)C=C)C6=CC(=CC(=C6)OC)OC	"InChI=1S/C35H38N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h5-13,18-21H,1,14-17,22-23H2,2-4H3,(H,37,44)(H,36,38,39)"	DVBPRWJMHURKHP-UHFFFAOYSA-N
DG01648	GSK321	91864709	"GSK321; (R)-1-(4-fluorobenzyl)-N-(3-((S)-1-hydroxyethyl)phenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide; 1816331-63-1; (7r)-1-(4-Fluorobenzyl)-N-{3-[(1s)-1-Hydroxyethyl]phenyl}-7-Methyl-5-(1h-Pyrrol-2-Ylcarbonyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[4,3-C]pyridine-3-Carboxamide; CHEMBL4215717; SCHEMBL20067448; GSK-321; BDBM195601; Q27455571; (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide; 59D"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	501.6	6	C28H28FN5O3	103	809	3.1	37	3	5	C[C@@H]1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)[C@H](C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5	"InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1"	IVFDDVKCCBDPQZ-MSOLQXFVSA-N
DG01649	CHZ868	91885989	"CHZ868; 1895895-38-1; CHZ-868; CHZ 868; SCHEMBL20548035; CHEBI:90828; CHZ-868;CHZ 868; BCP19574; EX-A1610; VAD89538; AKOS032960476; ZINC263614455; CS-6363; AC-33597; HY-18960; Q27162807; N-[4-[2-(2,4-difluoroanilino)-1,4-dimethylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide; N-(4-{[2-(2,4-difluoroanilino)-1,4-dimethyl-1H-benzimidazol-5-yl]oxy}pyridin-2-yl)acetamide; N-[4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-1,4-dimethyl-benzimidazol-5-yl]oxypyridin-2-yl]ethanamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	423.4	5	C22H19F2N5O2	81.1	629	3.8	31	2	7	CC1=C(C=CC2=C1N=C(N2C)NC3=C(C=C(C=C3)F)F)OC4=CC(=NC=C4)NC(=O)C	"InChI=1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)"	KQQLBXFPTDVFAJ-UHFFFAOYSA-N
DG01650	PZ-1	102004343	"Pz-1; Pz-1, >=98% (HPLC); 1800505-64-9; N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide; SCHEMBL17315095; HY-U00437; NSC792733; ZINC526061663; NSC-792733; CS-0035381; B0084-267746"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	454.5	6	C26H26N6O2	90.8	706	4.3	34	1	5	CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C	"InChI=1S/C26H26N6O2/c1-26(2,3)23-13-24(30-34-23)29-25(33)11-17-5-8-20(9-6-17)32-16-27-21-12-18(7-10-22(21)32)19-14-28-31(4)15-19/h5-10,12-16H,11H2,1-4H3,(H,29,30,33)"	NJLMIILZNLZZFW-UHFFFAOYSA-N
DG01651	TAS6417	117918742	"TAS6417; 1661854-97-2; Zipalertinib; TAS-6417; UNII-T4YMU8TW9H; T4YMU8TW9H; (S)-N-(4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide; CLN-081; N-[(8S)-4-Amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide; Zipalertinib [INN]; CLN081; CHEMBL4650281; SCHEMBL16525948; GTPL11889; EX-A3391; NSC812926; s8814; NSC-812926; AS-79368; HY-112299; CS-0044757; D93895; A937514; 2-Propenamide, N-((8S)-4-amino-8,9-dihydro-6-methyl-5-(3-quinolinyl)pyrimido(5,4-b)indolizin-8-yl)-"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	396.4	3	C23H20N6O	98.7	710	2.3	30	2	5	CC1=C[C@@H](CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C	"InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1"	MKCYPWYURWOKST-INIZCTEOSA-N
DG01652	PRN1371	118295624	"PRN1371; 1802929-43-6; PRN-1371; 8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one; UNII-S3OPE9IA3Q; S3OPE9IA3Q; 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one; GTPL9788; CHEMBL4068509; SCHEMBL16993012; US9567334, Example 6; BDBM286984; BCP20493; EX-A2927; NSC801089; s8578; CCG-270053; CS-7485; NSC-801089; compound 34 [PMID: 28665128]; BP179867; HY-101768; J3.662.238E; C92492; A936037; Q29213602"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	561.5	9	C26H30Cl2N6O4	100	870	3.5	38	1	8	CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl	"InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)"	PUIXMSRTTHLNKI-UHFFFAOYSA-N
DG01653	BAY1436032	118310260	"BAY-1436032; 1803274-65-8; BAY1436032; 3-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid; BAY 1436032; CHEMBL4206033; SCHEMBL17009632; BDBM404661; EX-A1606; NSC794487; s8530; NSC-794487; US10344004, Test compound Table 3; HY-100020; CS-0017982; 3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	489.5	7	C26H30F3N3O3	76.4	726	7.2	35	2	8	C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F	"InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1"	RNMAUIMMNAHKQR-QFBILLFUSA-N
DG01654	EAI045	121231412	"EAI045; 1942114-09-1; EAI-045; 2-(5-fluoro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide; CHEMBL4214567; 2-(5-Fluoro-2-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)-N-(thiazol-2-yl)acetamide; 2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide; GTPL9222; SCHEMBL18472992; AMY9112; BCP17698; EX-A1735; BDBM50453891; s8242; AKOS030573300; CCG-268438; CS-5835; AC-29880; AS-55933; BE162167; HY-100213; F20673; Q27077145"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	383.4	4	C19H14FN3O3S	111	580	2.7	27	2	6	C1C2=CC=CC=C2C(=O)N1C(C3=C(C=CC(=C3)F)O)C(=O)NC4=NC=CS4	"InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)"	YTUFHOKUFOQRDF-UHFFFAOYSA-N
DG01655	SBI-0640756	121241171	"SBI-0640756; 1821280-29-8; SCHEMBL19857722; SCHEMBL19857734; SBI-756; BCP23633; EX-A2800; WXC28029; s8181; ZINC521836536; CCG-268701; CS-5696; SBI0640756; SBI 0640756; BS-15707; HY-19560; D80610; SBI-0640756, >=98% (HPLC); SBI 0640756;SBI0640756;SBI 756;SBI756;SBI-756; (E)-6-Chloro-3-(3-(5-fluoropyridin-3-yl)acryloyl)-4-phenylquinolin-2(1H)-one; 6-chloro-3-[(E)-3-(5-fluoropyridin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	404.8	4	C23H14ClFN2O2	59.1	701	4.1	29	1	4	C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=CC(=CN=C4)F	"InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+"	VVWGPQZBDQVQRC-RMKNXTFCSA-N
DG01656	Lazertinib	121269225	"Lazertinib; 1903008-80-9; GNS-1480; YH25448; YH-25448; GNS1480; JNJ-73841937-AAA; UNII-4A2Y23XK11; N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide; C-18112003-G; 4A2Y23XK11; N-(5-((4-(4-((Dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)pyrimidin-2-yl)amino)-4-methoxy-2-morpholinophenyl)acrylamide; Leclaza; Lazertinib [USAN]; Lazertinib [INN]; Lazertinib (YH25448); CHEMBL4558324; SCHEMBL17670400; GTPL10136; BCP30440; EX-A1912; BDBM50555575; s8724; WHO 10587; AKOS037515597; CCG-270023; Lazertinib (YH25448,GNS-1480); YH-25448;GNS-1480; BS-15742; Compound 73 [WO2016060443A2]; HY-109061; CS-0032992; A16827; A903188; YH-25448; YH 25448; YH25448; GNS-1480; GNS 1480; GNS1480; 2-Propenamide, N-(5-((4-(4-((dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)-2-pyrimidinyl)amino)-4-methoxy-2-(4-morpholinyl)phenyl)-; N-(5-((4-(4-((Dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)-2-pyrimidinyl)amino)-4-methoxy-2-(4-morpholinyl)phenyl)acrylamide; N-(5-(4-(4-((dimethylamino)methyl)-3-phenyl-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-4-methoxy-2-morpholinophenyl)acrylamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	DB16216	.	.	554.6	10	C30H34N8O3	110	837	3.4	41	2	9	CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC	"InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)"	RRMJMHOQSALEJJ-UHFFFAOYSA-N
DG01657	ReACp53	121596091	ReACp53	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	2617.1	104	C108H206N52O24	1340	5720	-12.8	184	55	36	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N	"InChI=1S/C108H206N52O24/c1-11-55(7)75(92(178)154-72(52-54(5)6)90(176)158-77(57(9)161)94(180)151-68(34-22-48-141-107(128)129)88(174)156-76(56(8)12-2)93(179)159-78(58(10)162)95(181)155-71(51-53(3)4)89(175)153-70(97(183)184)37-38-74(163)164)157-91(177)73-36-24-50-160(73)96(182)69(35-23-49-142-108(130)131)152-87(173)67(33-21-47-140-106(126)127)150-86(172)66(32-20-46-139-105(124)125)149-85(171)65(31-19-45-138-104(122)123)148-84(170)64(30-18-44-137-103(120)121)147-83(169)63(29-17-43-136-102(118)119)146-82(168)62(28-16-42-135-101(116)117)145-81(167)61(27-15-41-134-100(114)115)144-80(166)60(26-14-40-133-99(112)113)143-79(165)59(109)25-13-39-132-98(110)111/h53-73,75-78,161-162H,11-52,109H2,1-10H3,(H,143,165)(H,144,166)(H,145,167)(H,146,168)(H,147,169)(H,148,170)(H,149,171)(H,150,172)(H,151,180)(H,152,173)(H,153,175)(H,154,178)(H,155,181)(H,156,174)(H,157,177)(H,158,176)(H,159,179)(H,163,164)(H,183,184)(H4,110,111,132)(H4,112,113,133)(H4,114,115,134)(H4,116,117,135)(H4,118,119,136)(H4,120,121,137)(H4,122,123,138)(H4,124,125,139)(H4,126,127,140)(H4,128,129,141)(H4,130,131,142)/t55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-/m0/s1"	IEWOQULQWITCAT-CMEOGBNNSA-N
DG01658	NTRC 0066-0	122632882	"NTRC-0066-0; NTRC 0066-0; 1817791-73-3; JGS79C; CHEMBL4449557; SCHEMBL18163318; BDBM532292; US11208696, Example 11; NSC794589; NSC-794589; SB19776; HY-100024; CS-0017983; E77323; N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide; N66"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	565.7	8	C33H39N7O2	87.6	873	5.5	42	2	7	CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC	"InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)"	HGEIUFJVGHMGRR-UHFFFAOYSA-N
DG01659	EED226	123132228	"EED226; 2083627-02-3; EED-226; N-(Furan-2-Ylmethyl)-8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[4,3-C]pyrimidin-5-Amine; N-(furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine; N-(Furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)[1,2,4]-triazolo[4,3-c]pyrimidin-5-amine; EED 226 monohydrate; CHEMBL4065484; SCHEMBL20867769; BDBM225230; BCP19849; EX-A1724; NSC803408; s8496; AKOS030632048; CCG-268284; CS-6391; NSC-803408; SB40406; AC-29879; AS-74203; BE165158; HY-101117; J3.609.221A; A901401; N-(Furan-2-ylmethyl)-8-(4-(methylsulfonyl)phenyl)[1,2,4]-triazolo[4,3-c]pyrimidin-5-amine;MAK683; N-[(furan-2-yl)methyl]-8-(4-methanesulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	369.4	5	C17H15N5O3S	111	575	2.3	26	1	7	CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4	"InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)"	DYIRSNMPIZZNBK-UHFFFAOYSA-N
DG01660	JBJ-04-125-02	124173751	"JBJ-04-125-02; (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide; 2060610-53-7; (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide; SCHEMBL18360815; BCP32863; EX-A4047; HY-135805; CS-0114212"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	543.6	6	C29H26FN5O3S	126	870	3.8	39	3	8	C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)[C@H](C5=C(C=CC(=C5)F)O)C(=O)NC6=NC=CS6)C=C3	"InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1"	VHQVOTINPRYDAO-AREMUKBSSA-N
DG01661	SEL201	129052025	SLV-2436; 2095704-43-9; SEL-201; CID 129052025; CHEMBL4764756; 5-(3-Amino-1H-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one; SEL201; SCHEMBL18764462; SLV2436; BCP29427; SLV 2436; VID70443; BDBM50562615; s6888; SEL201-88; BS-15825; HY-112113; CS-0043363; D80426; 5-(3-amino-1H-indazol-6-yl)-1-(3-chlorobenzyl)pyridin-2(1H)-one; SLV 2436 pound>>SLV2436 pound>>SEL201-88; SEL-201 pound>>SEL201 88; SEL 201 pound>>SEL20188; SEL201	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	350.8	3	C19H15ClN4O	75	578	3	25	2	3	C1=CC(=CC(=C1)Cl)CN2C=C(C=CC2=O)C3=CC4=C(C=C3)C(=NN4)N	"InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23)"	YQVUADHJKWJHAF-UHFFFAOYSA-N
DG01662	RMC-4550	134183206	"RMC-4550; 2172651-73-7; UNII-2Q6NVG4EXB; 2Q6NVG4EXB; CHEMBL4752026; (3-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl)methanol; [3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol; {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol; 2-Pyrazinemethanol, 3-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro(4.5)dec-8-yl)-6-(2,3-dichlorophenyl)-5-methyl-; 2-Pyrazinemethanol, 3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]dec-8-yl]-6-(2,3-dichlorophenyl)-5-methyl-; SCHEMBL19785503; RMC-4550 (SHP2 Inhibitor); AMY16974; EX-A3075; XLD65173; BDBM50546219; MFCD31746888; s8718; ZB1559; AKOS037648879; AC-31540; BS-15923; HY-116009; CS-0063450; D70060; A929920; [3-[(3S,4S)-4-AMINO-3-METHYL-2-OXA-8-AZASPIRO[4.5]DECAN-8-YL]-6-(2,3-DICHLOROPHENYL)-5-METHYL-PYRAZIN-2-YL]METHANOL"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	437.4	3	C21H26Cl2N4O2	84.5	563	2.5	29	2	6	C[C@H]1[C@H](C2(CCN(CC2)C3=NC(=C(N=C3CO)C4=C(C(=CC=C4)Cl)Cl)C)CO1)N	"InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1"	IKUYEYLZXGGCRD-ORAYPTAESA-N
DG01663	Necitumumab	135263756	SCHEMBL20425500	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	DB09559	.	.	467.5	8	C26H21N5O4	119	828	2.9	35	1	7	CC(=O)OCN1C=C(C2=CC(=NC=C21)C3=CC(=CC(=C3)OC)NC(=O)C=C)C4=CC(=NC=C4)C#N	"InChI=1S/C26H21N5O4/c1-4-26(33)30-19-8-18(9-21(10-19)34-3)24-11-22-23(17-5-6-28-20(7-17)12-27)14-31(15-35-16(2)32)25(22)13-29-24/h4-11,13-14H,1,15H2,2-3H3,(H,30,33)"	HGDHLYSCURABOE-UHFFFAOYSA-N
DG01664	Cixutumumab	135338442	SCHEMBL20511307	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB12250	.	.	528.5	6	C29H25FN4O5	106	947	5.1	39	1	8	CC#CC(=O)N1CCCC[C@H]1C2=NC(=C3N2C=CN=C3C(=O)O)C4=CC=C(C=C4)OC5=CC=CC(=C5F)OC	"InChI=1S/C29H25FN4O5/c1-3-7-23(35)33-16-5-4-8-20(33)28-32-25(27-26(29(36)37)31-15-17-34(27)28)18-11-13-19(14-12-18)39-22-10-6-9-21(38-2)24(22)30/h6,9-15,17,20H,4-5,8,16H2,1-2H3,(H,36,37)/t20-/m0/s1"	BPGVVRUPKNFLHW-FQEVSTJZSA-N
DG01666	XAV939	135418940	"XAV-939; 284028-89-3; XAV939; XAV 939; 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one; 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one; CHEBI:62878; C14H11F3N2OS; CHEMBL1086580; CID 2726824; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol; 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol; 2-[4-(Trifluoromethyl)phenyl]-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol; NVP-XAV-939; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[4,3-d]pyrimidin-4(5H)-one; NVP-XAV 939; XAV; MFCD16879017; 3kr8; 3uh4; Maybridge3_005018; NVP-XAV939; MLS006012021; SCHEMBL7783488; TB3748-GMP; SCHEMBL15315468; AOB4150; DTXSID60369423; XAV939,XAV-939; BCPP000009; HMS1445E02; HMS3414D07; HMS3648B17; HMS3654O16; HMS3678D07; HMS3743E05; BCP02128; EX-A1760; BDBM50188594; BDBM50318567; NSC755761; s1180; ZINC13467799; AKOS015954858; AKOS024457786; AKOS026750243; CCG-208105; CS-0494; MCULE-6143908878; NSC-755761; SB19432; IDI1_016405; NCGC00250397-01; NCGC00484998-01; AC-28393; CS-10386; HY-15147; SMR003874205; XAV939, >=98% (HPLC); DB-067924; FT-0675873; SW218311-2; X7558; A25698; SR-01000946403; J-511234; SR-01000946403-1; BRD-K12762134-001-01-3; BRD-K12762134-001-05-4; Q27132250; 6,8-Dihydro-2-[4-(trifluoromethyl)phenyl]-5H-thiopyrano[3,4-d]pyrimidine; 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one; 2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano-[4,3-d]pyrimidin-4-ol; 2-[4-(trifluoromethyl)phenyl]-1H,4H,5H,7H,8H-thiopyrano[4,3-d]pyrimidin-4-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	312.31	1	C14H11F3N2OS	66.8	505	2.3	21	1	6	C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F	"InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)"	KLGQSVMIPOVQAX-UHFFFAOYSA-N
DG01667	SB590885	135421339	"SB590885; 405554-55-4; SB-590885; 5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; SB 590885; (NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine; (E)-5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; (E)-SB-590885; (Z)-SB-590885; SCHEMBL131578; CHEMBL477989; SCHEMBL12518520; SCHEMBL16111665; SCHEMBL17378611; EX-A612; CHEBI:131881; BCPP000070; 1H-Inden-1-one, 5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-, oxime; 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime; AMY20674; BDBM50457452; NSC754362; NSC756456; s2220; SB-590885 (RAF); ZINC100061199; CCG-264947; NSC-754362; NSC-756456; (E)--(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime; (E)-SB590885; AS-16232; (E)-SB 590885; A25514; J-501805; BRD-K78809024-001-05-7; Q27120375; Q27225284; (1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine; 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime;SB-590885"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	453.5	7	C27H27N5O2	86.6	674	4	34	2	6	CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)/C(=N/O)/CC5	"InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+"	MLSAQOINCGAULQ-QFMPWRQOSA-N
DG01668	AUY922	135539077	"Luminespib; NVP-AUY922; 747412-49-3; AUY922; VER-52296; AUY-922; 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide; AUY922 (NVP-AUY922); Luminespib (NVP-AUY922); UNII-C6V1DAR5EB; Luminespib (AUY-922 ); VER 52296; NVP-AUY 922; C6V1DAR5EB; Luminespib (AUY-922, NVP-AUY922); 5-[2,4-DIHYDROXY-5-ISOPROPYLPHENYL]-N-ETHYL-4-[4-(4-MORPHOLINYLMETHYL)PHENYL]-3-ISOXAZOLECARBOXAMIDE; CHEMBL3900791; CHEBI:83656; 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide; 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide; 5-[2,4-Dihydroxy-5-(1-Methylethyl)phenyl]-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide; Luminespib [USAN:INN]; NVR-AUY 922; Isoxazole, 40f; 2GJ; VER-52296/NVP-AUY922; Luminespib (USAN/INN); Luminespib; NVP-AUY922; NVP-AUY922-NX; MLS006011081; NVP-AUY-922; SCHEMBL892205; CHEMBL252164; GTPL9261; SCHEMBL2682235; AUY922,NVP-AUY922; LUMINESPIB(NVP-AUY922); NVP-AUY922, LUMINESPIB; BDBM20926; CHEBI:91422; EX-A611; QCR-179; BCPP000145; HMS3295K23; HMS3654C15; AOB87330; AUY922 - NVP-AUY922; BCP01827; BDBM50274536; MFCD14635361; NSC755762; s1069; ZINC14974931; AKOS015966502; AKOS026750297; ZINC100015656; ZINC109565971; BCP9001007; CCG-264804; CS-0136; NSC-755762; SB16640; NCGC00247878-01; NCGC00387853-03; 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; AC-33144; AS-17014; HY-10215; SMR004702869; A9562; FT-0700359; SW219319-1; X7556; CAS:747412-49-3;NVP-AUY922; D10646; 412D493; J-516600; BRD-K41859756-001-01-9; Q10859697; Q27082304; Q27163272; AUY922; VER-52296; AUY 922; VER 52296; AUY-922; VER-52296; 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide; AUY-922; ; ; NVP-AUY922; ; ; VER-52296; ; ; (5Z)-N-Ethyl-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-[4-(morpholin-4-ylmethyl)phenyl]-2H-1,2-oxazole-3-carboxamide; N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-yl-1-cyclohexa-2,4-dienylidene)-4-[4-(4-morpholinylmethyl)phenyl]-2H-isoxazole-3-carboxamide"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:83656	DB11881	.	DR00742	465.5	7	C26H31N3O5	108	650	3.5	34	3	7	CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C	"InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)"	NDAZATDQFDPQBD-UHFFFAOYSA-N
DG01669	Ganetespib	135564985	"Ganetespib; 888216-25-9; Ganetespib (STA-9090); STA-9090; STA9090; STA 9090; UNII-2E8412Y946; 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one; 2E8412Y946; 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one; (5Z)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one; 4-(5-hydroxy-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one; 5-[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]-4-(1-Methyl-1h-Indol-5-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One; Ganetespib [USAN:INN]; Genetespib; 5-(2,4-Dihydroxy-5-(1-methylethyl)phenyl)-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one; Ganetespib (USAN); Ganetespib,STA-9090; Ganetespib (STA9090); Ganetespib(STA-9090); Ganetespib - STA-9090; SCHEMBL419750; CHEMBL2103879; EX-A250; QCR-148; CHEBI:177770; HMS3654K12; HMS3673E09; AMY16782; AOB87158; BCP22669; 2422AH; BDBM50439621; MFCD22420818; NSC765435; NSC777169; s1159; ZINC43130413; AKOS026750420; AKOS032947228; ZINC109565954; ZINC109565957; CCG-268213; CS-0697; DB12047; NSC-765435; NSC-777169; SB16526; 3-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(1-methyl-indol-5-yl)-5-hydroxy-[1,2,4]triazole; NCGC00346678-01; NCGC00346678-04; AC-32480; AS-35117; HY-15205; BCP0726000115; A4385; FT-0700397; SW220253-1; D10126; STA-9090; STA9090; STA 9090; Q27254612; 3-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(N-methyl-indol-5-yl)-5-hydroxy-[1,2,4]triazole; 2,4-Dihydro-5-[2,4-dihydroxy-5-isopropylphenyl]-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one; 3-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methyl-1H-indol-5-yl)-1H-1,2,4-triazol-5(4H)-one; 3-[2,4-Dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one; 3H-1,2,4-Triazol-3-one, 5-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-2,4-dihydro-4-(1- methyl-1H-indol-5-yl)-"	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	DB12047	.	.	364.4	3	C20H20N4O3	90.1	610	3.1	27	3	4	CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O	"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)"	RVAQIUULWULRNW-UHFFFAOYSA-N
DG01670	Talazoparib	135565082	"Talazoparib; 1207456-01-6; BMN-673; BMN673; BMN 673; Talzenna; Talazoparib (BMN 673); UNII-9QHX048FRV; (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one; LT-673; 9QHX048FRV; (8s,9r)-5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1h-1,2,4-Triazol-5-Yl)-2,7,8,9-Tetrahydro-3h-Pyrido[4,3,2-De]phthalazin-3-One; (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one; (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazine-3-one; Talazoparib [USAN:INN]; BMN-673 8R,9S; 4pjt; 2YQ; Talazoparib(BMN-673); Talazoparib (USAN/INN); Talazoparib (BMN-673); 3H-Pyrido(4,3,2-de)phthalazin-3-one, 5-fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-, (8S,9R)-; GTPL8313; SCHEMBL2299348; CHEMBL3137320; AOB5705; BMN673,BMN-673; AMY27900; EX-A1356; BDBM50084621; MFCD22666357; NSC767125; ZINC72318110; ZINC138126699; CS-0937; DB11760; NSC-767125; QC-4556; NCGC00390231-01; AC-30927; AS-57491; HY-16106; LT 00673; S7048; SW219655-1; X5821; D10732; A892079; Q25100990; Q27453411; (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one;BMN-673"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11760	.	DR00366	380.4	2	C19H14F2N6O	84.2	654	2.3	28	2	7	CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F	"InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1"	HWGQMRYQVZSGDQ-HZPDHXFCSA-N
DG01671	BI-847325	135567102	"BI-847325; 1207293-36-4; BI 847325; QXD8ZW7UVZ; UNII-QXD8ZW7UVZ; (Z)-3-(3-(((4-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; BI847325; 3-(3-(((4-((Dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; 3-[(3~{z})-3-[[[4-[(Dimethylamino)methyl]phenyl]amino]-Phenyl-Methylidene]-2-Oxidanylidene-1~{h}-Indol-6-Yl]-~{n}-Ethyl-Prop-2-Ynamide; (Z)-3-(3-((4-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide; 2128698-24-6; 3-(3-(((4-((Dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-2-propynamide; 3-[3-[[[4-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indol-6-yl]-N-ethyl-2-propynamide; 5U5; SCHEMBL4081822; CHEMBL3699142; CHEMBL4303500; SCHEMBL10326049; BDBM142744; BCP15994; EX-A1727; NSC799360; s7843; AKOS030238788; ZINC143989489; ZINC143989696; CCG-269395; CS-6291; NSC-799360; SB23246; NCGC00481575-01; AC-29870; AS-56076; HY-18955; US8937095, 6; Q27456034; 2-Propynamide, 3-((3Z)-3-(((4-((dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-; 2-Propynamide, 3-(3-(((4-((dimethylamino)methyl)phenyl)amino)phenylmethylene)-2,3-dihydro-2-oxo-1H-indol-6-yl)-N-ethyl-; 3-((3Z)-3-((4-(Dimethylaminomethyl)anilino)-phenyl-methylene)-2-oxo-indolin-6-yl)-N-ethyl-prop-2-ynamide; 3-[(3Z)-3-[({4-[(dimethylamino)methyl]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indol-6-yl]-N-ethylprop-2-ynamide; 3-[3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indol-6-yl]-N-ethylprop-2-ynamide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	464.6	7	C29H28N4O2	80.7	798	5.3	35	3	4	CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4	"InChI=1S/C29H28N4O2/c1-4-30-26(34)17-13-20-12-16-24-25(18-20)32-29(35)27(24)28(22-8-6-5-7-9-22)31-23-14-10-21(11-15-23)19-33(2)3/h5-12,14-16,18,32,35H,4,19H2,1-3H3,(H,30,34)"	OCUQMWSIGPQEMX-UHFFFAOYSA-N
DG01672	Folfox protocol	135659064	Folfox protocol; Folfox regimen; FOLFOX-4 protocol; FOLFOX-6 protocol; FOLFOX-7 protocol; Folfox; FOLFOX-4; FOLFOX-6; FOLFOX-7; C410216000; Fluorouracil regimen with leucovorin calcium and oxaliplatin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	998.8	9	C34H42FN9O13Pt	348	1290	.	58	11	19	[CH2-][C@@H]1CCCC[C@H]1[CH2-].C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1=C(C(=O)NC(=O)N1)F.C(=O)(C(=O)O)O.[Pt+2]	"InChI=1S/C20H23N7O7.C8H14.C4H3FN2O2.C2H2O4.Pt/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;1-7-5-3-4-6-8(7)2;5-2-1-6-4(9)7-3(2)8;3-1(4)2(5)6;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);7-8H,1-6H2;1H,(H2,6,7,8,9);(H,3,4)(H,5,6);/q;-2;;;+2/t12 ,13-;7-,8-;;;/m01.../s1"	YXTKHLHCVFUPPT-YYFJYKOTSA-N
DG01673	MRT-92	136235465	"MRT-92; CHEMBL4302587; SCHEMBL14809192; GTPL10332; 3,4,5-trimethoxy-N-[N'-[4-methyl-3-[[4-(2-phenylethyl)benzoyl]amino]phenyl]carbamimidoyl]benzamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	566.6	11	C33H34N4O5	124	872	6.1	42	3	6	CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)CCC4=CC=CC=C4	"InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)"	TVUOHEUCOWBVRU-UHFFFAOYSA-N
DG01674	NVP-TNKS656	136237316	"NVP-TNKS656; 1419949-20-4; TNKS656; NVP-TNKS-656; TNKS-656; CHEMBL2419706; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide; N-(Cyclopropylmethyl)-2-(4-(4-methoxybenzoyl)piperidin-1-yl)-N-((4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl)acetamide; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-({4-oxo-3H,4H,5H,7H,8H-pyrano[4,3-d]pyrimidin-2-yl}methyl)acetamide; NVPTNKS656; TNK-S656; TNKS 656; SCHEMBL14638273; SCHEMBL21843258; GTPL10674; BCP28685; EX-A2627; BDBM50439791; ZINC96283562; AKOS027323458; CCG-269654; example 5 [WO2013012723A1]; compound 43 [PMID: 23844574]; NCGC00390606-01; NCGC00390606-02; AC-33044; AS-75191; HY-13990; S7238; C72648; A901730; N-(Cyclopropylmethyl)-2-(4-(4-methoxybenzoyl)piperidin-1-yl)-N-((4-oxo-4,5,7,8-tetrahydro-3H-pyrano[4,3-d]pyrimidin-2-yl)methyl)acetamide; N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide; N-Cyclopropylmethyl-2-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-N-(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-ylmethyl)-acetamide"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	494.6	9	C27H34N4O5	101	911	1.1	36	1	7	COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC5=C(COCC5)C(=O)N4	"InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)"	DYGBNAYFDZEYBA-UHFFFAOYSA-N
DG01675	AMGMDS3	139033635	AMGMDS3; Q59770979	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	506.4	9	C26H29Cl2NO5	83.9	749	5.3	34	1	5	CC[C@@H](C(=O)OCC)N1[C@@H]([C@H]([C@](CC1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl	"InChI=1S/C26H29Cl2NO5/c1-4-20(25(33)34-5-2)29-21(30)14-26(3,15-22(31)32)23(16-8-6-10-18(27)12-16)24(29)17-9-7-11-19(28)13-17/h6-13,20,23-24H,4-5,14-15H2,1-3H3,(H,31,32)/t20-,23+,24+,26-/m0/s1"	SZACTBIUKXKQGM-YLJDOISLSA-N
DG01676	BEZ235/Ruxolitinib	.	BEZ235/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01677	Bevacizumab/FOLFIRI Regimen	.	Bevacizumab/FOLFIRI Regimen	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01678	Omipalisib/Trametinib	.	Omipalisib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01679	Ibrutinib/Ruxolitinib	.	Ibrutinib/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01680	AEB071/Binimetinib	.	AEB071/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01681	PI3K pathway inhibitors/MEK inhibitors	.	PI3K pathway inhibitors/MEK inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01682	Letrozole/Ribociclib	.	Letrozole/Ribociclib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01683	Alpelisib/Binimetinib	.	Alpelisib/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01684	Cetuximab/Trametinib	.	Cetuximab/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01685	Everolimus/Binimetinib	.	Everolimus/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01686	Pimasertib/Regorafenib	.	Pimasertib/Regorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01687	Selumetinib/Dactolisib	.	Selumetinib/Dactolisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01688	Sirolimus/Trametinib	.	Sirolimus/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01689	Everolimus/Selumetinib	.	Everolimus/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01690	Binimetinib/Everolimus	.	Binimetinib/Everolimus	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01691	AZD-8055/Binimetinib	.	AZD8055/Binimetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01692	Alpelisib/Fulvestrant	.	Alpelisib/Fulvestrant	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01693	Buparlisib/Paclitaxel	.	Buparlisib/Paclitaxel	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01694	Pictilisib/Sorafenib	.	Pictilisib/Sorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01695	Cisplatin/Pictilisib	.	Cisplatin/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01696	Gemcitabine/LY2780301	.	Gemcitabine/LY2780301	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01697	PD-0325901/Pictilisib	.	PD-0325901/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01698	AZD5363/Trastuzumab	.	AZD5363/Trastuzumab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01699	MK2206/Temsirolimus	.	MK2206/Temsirolimus	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01700	Bevacizumab/Temsirolimus	.	Bevacizumab/Temsirolimus	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01701	BRAF/MEK inhibitors	.	BRAF/MEK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01702	Panitumumab/Trametinib	.	Panitumumab/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01703	G007-LK/Imatinib	.	G007-LK/Imatinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01704	Infigratinib/Imatinib	.	Infigratinib/Imatinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01705	Bevacizumab/Sorafenib	.	Bevacizumab/Sorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01706	AGI-5198/Talazoparib	.	AGI-5198/Talazoparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01707	AGI-5198/Olaparib	.	AGI-5198/Olaparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01708	Cisplatin/Talazoparib	.	Cisplatin/Talazoparib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01709	AGI-5198/Metformin	.	AGI-5198/Metformin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01710	Temozolomide/Vandetanib	.	Temozolomide/Vandetanib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01711	Crenolanib/Trametinib	.	Crenolanib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01712	Cytarabine/Daunorubicin/Midostaurin	.	Cytarabine/Daunorubicin/Midostaurin	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01713	Azacitidine/Sorafenib	.	Azacitidine/Sorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01714	ACY-957/GSK126	.	ACY-957/GSK126	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01715	ACY-957/DZNEP	.	ACY-957/DZNeP	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01716	AZD3463/Doxorubicin	.	AZD3463/Doxorubicin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01717	BRAF inhibitors/MEK inhibitors/Anti-EGFR mAb	.	BRAF inhibitors/MEK inhibitors or anti-EGFR mAb	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01718	Docetaxel/Selumetinib	.	Docetaxel/Selumetinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01719	Irinotecan/Selumetinib	.	Irinotecan/Selumetinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01720	Gemcitabine/Trametinib	.	Gemcitabine/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01721	Dactolisib/Selumetinib	.	Dactolisib/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01722	MK-2206/PD184352	.	MK-2206/PD184352	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01723	LY-294002/Capivasertib	.	LY-294002/Capivasertib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01724	Ruxolitinib/SGI-1776	.	Ruxolitinib/SGI-1776	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01725	AZD1208/Ruxolitinib	.	AZD1208/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01726	Ruxolitinib/ZSTK474	.	Ruxolitinib/ZSTK474	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01727	JQ1/Osimertinib	.	JQ1/Osimertinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01728	EGFR TKIs	.	EGFR TKIs	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01729	Unspecified CTLA4 antibody/Unspecified PD-1 antibody	.	Unspecified CTLA4 antibody/unspecified PD-1 antibody	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01730	Cabozantinib/Erlotinib	.	Cabozantinib/Erlotinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01731	Bevacizumab/Gefitinib	.	Bevacizumab/Gefitinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01732	Osimertinib/Selumetinib	.	Osimertinib/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01733	Buparlisib/Osimertinib	.	Buparlisib/Osimertinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01734	Bevacizumab/Erlotinib	.	Bevacizumab/Erlotinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01735	Trametinib/WZ4002	.	Trametinib/WZ4002	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01736	Erlotinib/Ganetespib	.	Erlotinib/Ganetespib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01737	APR-246/Cisplatin	.	APR-246/Cisplatin	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01738	Dabrafenib/Trametinib	.	Dabrafenib/Trametinib	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01739	Vemurafenib/Cobimetinib	.	Vemurafenib/Cobimetinib	Phase 3	5	Clinical Trial Drug(s)	Phase 3	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01740	Binimetinib/Encorafenib	.	Binimetinib/Encorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01741	Panitumumab/Dabrafenib/Trametinib	.	Panitumumab/Dabrafenib/Trametinib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01742	Binimetinib/Cetuximab/Encorafenib	.	Binimetinib/Cetuximab/Encorafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01743	Cobimetinib/Vemurafenib	.	Cobimetinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01744	Encorafenib/Trametinib	.	Encorafenib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01745	Trametinib/Dabrafenib	.	Trametinib/Dabrafenib	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01747	Encorafenib/Cetuximab	.	Encorafenib/Cetuximab	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01748	Palbociclib/PD-0325901	.	Palbociclib/PD-0325901	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01749	Cetuximab/Selumetinib	.	Cetuximab/Selumetinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01750	Alpelisib/Cetuximab/Encorafenib	.	Alpelisib/Cetuximab/Encorafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01751	Dasatinib/Trametinib	.	Dasatinib/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01752	Dasatinib/SCH772984	.	Dasatinib/SCH772984	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01753	Everolimus/PLX4720	.	Everolimus/PLX4720	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01754	Dabrafenib/Trametinib/Vemurafenib	.	Dabrafenib/Trametinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01755	Trametinib/Vemurafenib	.	Trametinib/Vemurafenib	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01756	Cediranib/PLX4720	.	Cediranib/PLX4720	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01757	Navitoclax/Trametinib	.	Navitoclax/Trametinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01758	Ganetespib/TAK-733	.	Ganetespib/TAK-733	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01759	Selumetinib/Vemurafenib	.	Selumetinib/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01760	Buparlisib/Vemurafenib	.	Buparlisib/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01761	MK2206/Vemurafenib	.	MK2206/Vemurafenib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01762	PLX4720/Pictilisib	.	PLX4720/Pictilisib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01763	Vemurafenib/Capecitabine/Bevacizumab	.	Vemurafenib/Capecitabine/Bevacizumab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01764	Futuximab	.	Futuximab	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01765	EGFR inhibitors	.	EGFR inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01766	"1,2-Dichloroethane"	11	"1,2-dichloroethane; Ethylene dichloride; 107-06-2; Ethylene chloride; Ethane, 1,2-dichloro-; Glycol dichloride; Dichloroethylene; Dutch liquid; Dutch oil; Ethane dichloride; Aethylenchlorid; Dichloro-1,2-ethane; Dichloremulsion; 1,2-Dichlorethane; Brocide; 1,2-Ethylene dichloride; Bichlorure D'ethylene; Borer sol; Di-chlor-mulsion; 1,2-DCE; Freon 150; sym-Dichloroethane; alpha,beta-Dichloroethane; EDC (halocarbon); Destruxol borer-sol; 1,2-Bichloroethane; Ethyleendichloride; Cloruro di ethene; Rcra waste number U077; 1,2-Dicloroetano; Chlorure D'ethylene; 1,2-Dichloorethaan; DCE; 1,2-Dichlor-aethan; 1, 2-dichloroethane; Aethylendichlorid; s-Dichloroethane; HCC 150; ethylenedichloride; NCI-C00511; EDC; ENT 1,656; 1,2-Dichloraethan; 1.2-dichloroethane; UNII-55163IJI47; 1,2-Dichloro-Ethane; MFCD00000963; .alpha.,.beta.-Dichloroethane; CHEBI:27789; Ethane, 1,2-dichloro-, homopolymer; 55163IJI47; Dichlor-Mulsion; Caswell No. 440; Aethylenchlorid [German]; RY Dichloro-1,2-ethane; Ethyleendichloride [Dutch]; 1,2-Ethylidene dichloride; 1,2-Dichloroethane, analytical standard; Cloruro di ethene [Italian]; 29561-65-7; HSDB 65; 1,2-Dichloorethaan [Dutch]; 1,2-Dicloroetano [Italian]; CCRIS 225; Chlorure d'ethylene [French]; 1,2 dichloroethane; 1,2-Dichlor-aethan [German]; Bichlorure d'ethylene [French]; Dichlorure d'ethylene; Dichloro-1,2-ethane [French]; ClCH2CH2Cl; Ethylene dichloride [BSI:ISO]; 1,2-Dichloroethane 100 microg/mL in Methanol; Dichlorure d'ethylene [ISO-French]; EINECS 203-458-1; UN1184; RCRA waste no. U077; EPA Pesticide Chemical Code 042003; ethylenechloride; ethylendichloride; AI3-01656; alpha,Bet; dichloro ethylene; ethylene-chloride; ethylene dichoride; 1,2-DICHLOROETHANE, ACS; 1,2dichlorethane; Ethylen dichloride; 1,2dichloroethane; ehtylene dichloride; 1,2 dichlorethane; 1,2 dichoroethane; 1,2-dichloroetane; 1,2-dichloroethan; 1,2-dichoroethane; 1,2-dicloroethane; 1,2-dichioroethane; 1,2-dichloroetharie; 1 ,2-dichloroethane; 1, 2 dichloroethane; 1,2 -dichloroethane; 1,2 dichloro ethane; 1,2,-dichloroethane; 1,2- dichloroethane; 1,2-di-chloroethane; 1,2-dichloro ethane; 1.2-di-chloroethane; CH2ClCH2Cl; 1,2-ethylenedichloride; ClCH2-CH2Cl; dichloro-1, 2-ethane; C1CH2CH2Cl; ClCH2CH2C1; EDC, JMAF; Cl(CH2)2Cl; DSSTox_CID_438; 12-DICHLOROETHANE; bmse000568; EC 203-458-1; DSSTox_RID_75587; DSSTox_GSID_20438; CHEMBL16370; 1,2-Dichloroethane ACS grade; 1,2-Dichloroethane, for HPLC; Ethylene dichloride, BSI, ISO; DTXSID6020438; Dichloroethane Reagent Grade ACS; 1,2-Dichloroethane, ACS reagent; 1,2-Dichloroethane, HPLC Grade; AMY33455; ZINC8220695; Tox21_202466; 1,2-Dichloroethane, LR, >=99%; STL264187; AKOS000120021; 1,2-Dichloroethane, p.a., 99.5%; DB03733; MCULE-3493741440; UN 1184; 1,2-Dichloroethane, AR, >=99.5%; 1,2-Dichloroethane, anhydrous, 99.8%; NCGC00091763-01; NCGC00091763-02; NCGC00091763-03; NCGC00260015-01; CAS-107-06-2; 1,2-Dichloroethane, for HPLC, 99.8%; 1,2-Dichloroethane, ACS reagent, >=99%; 1,2-Dichloroethane, ReagentPlus(R), 99%; 1,2-Dichloroethane, for HPLC, >=99.8%; 1,2-Dichloroethane, Spectrophotometric Grade; D0310; D0364; E0289; FT-0626325; FT-0771283; R 150; 1,2-Dichloroethane 10 microg/mL in Methanol; 1,2-Dichloroethane, ACS reagent, >=99.0%; C06752; 1,2-Dichloroethane 1000 microg/mL in Methanol; 1,2-Dichloroethane, SAJ first grade, >=99.0%; Q161480; 1,2-Dichloroethane, JIS special grade, >=99.5%; Ethylene dichloride [UN1184] [Flammable liquid]; J-503815; 1,2-Dichloroethane, anhydrous, ZerO2(TM), 99.8%; 1,2-Dichloroethane, spectrophotometric grade, >=99%; UNII-9D6S017631 component WSLDOOZREJYCGB-UHFFFAOYSA-N; 1,2-Dichloroethane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC); 52399-93-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	98.96	1	C2H4Cl2	0	6	1.5	4	0	0	C(CCl)Cl	InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2	WSLDOOZREJYCGB-UHFFFAOYSA-N
DG01767	Ammonia	222	"Ammonia; 7664-41-7; azane; Ammonia gas; Spirit of hartshorn; Nitro-sil; Ammonia, anhydrous; Ammoniakgas; Ammonia solution; Ammonia anhydrous; Anhydrous ammonia; Ammoniak; AM-Fol; Liquid Ammonia; Ammoniak Kconzentrierter; Amoniak [Polish]; Ammoniac [French]; Ammoniak [German]; ammoniac; Ammoniaca [Italian]; Caswell No. 041; Ammonia (conc 20% or greater); CCRIS 2278; HSDB 162; Ammonia solution, strong; NH3; UN 2073 (>44% solution); UN1005; Aminomethyl Polystyrene Resin; Refrigerent R717; EPA Pesticide Chemical Code 005302; UNII-5138Q19F1X; Strong Ammonia Solution; R 717; UN 1005 (anhydrous gas or >50% solution); UN 2672 (between 12% and 44% solution); Ammonia, 7M in methanol; Ammonia anhydrous, 99.98%; CHEBI:16134; MFCD00011418; 5138Q19F1X; Ammonia solution, strong (NF); Ammonia solution, strong [NF]; amoniaco; Ammoniaca; Amoniak; (Aminomethyl)polystyrene; EINECS 231-635-3; tertiaeres Amin; Aminyl radical; ammonia ca; primaeres Amin; Ammonia inhalant; Ammonia,aromatic; Ammonia-solution; Ammoniacum gummi; sekundaeres Amin; anyhydrous ammonia; Ammonium causticum; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: ~0.5 mmol/g amine loading; NH4; UNX; Strong-ammonia solution; R 717 (ammonia); Ammonia (8CI,9CI); Ammonia water (JP15); Aromatic ammonia vaporole; Ammonia, 2M in methanol; Dowex(R) 66 free base; Ammonia, 0.5M in THF; Aromatic Ammonia, Vaporole; EC 231-635-3; Ammonia solution strong (NF); Ammonia solution strong [usan]; INS NO.527; N H3; ammonium isovalerate 30% in pg; CHEMBL1160819; DTXSID0023872; DTXSID40912315; DTXSID80420101; INS-527; [NH3]; NH(3); 2-Methylamino-5-nitro-benzonitrile; Ammonia solution, 0.4 M in THF; Ammonia solution, 4 M in methanol; Ammonia solution, 7 N in methanol; Ammonia, anhydrous, >=99.98%; ACT02989; Ammonia solution 2.0 M in ethanol; Ammonia solution 2.0 M in methanol; Ammonia solution, 0.5 M in dioxane; Ammonia solution, 2.0 M in ethanol; AKOS015916403; Ammonia anhydrous 170g Lecture bottle; Ammonia solution, 2.0 M in methanol; Ammonia solution 2.0 M in isopropanol; MCULE-5646000632; Ammonia 0.5M solution in 1,4-Dioxane; Ammonia solution, 2.0 M in isopropanol; Ammonia (includes anhydrous ammonia and aqueous ammonia from water dissociable ammonium salts and other sources; 10% of total aqueous ammonia is reportable under this listing); Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Nonflammable gas]; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Poison gas, Corrosive]; Ammonia, puriss., anhydrous, >=99.9%; Ammonia solution 0.25M in tetrahydrofuran; Ammonia, puriss., anhydrous, >=99.95%; E-527; Q4087; R-717; C00014; D02916; Dowex(R) Marathon(TM) WBA free base, free base; Q4832241; Q6004010; Q27110025; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: ~2 mmol/g amine loading; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: ~0.6 mmol/g amine loading; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: ~1.5 mmol/g amine loading; (Aminomethyl)polystyrene, 400-500 mum, extent of labeling: 1-2 mmol/g amine loading; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: 0.5-1.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 100-200 mesh, extent of labeling: 1.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 1.0-1.5 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 1.0-2.0 mmol/g loading, 2 % cross-linked; (Aminomethyl)polystyrene, 200-400 mesh, extent of labeling: 4.0 mmol/g loading, 2 % cross-linked; (Aminomethyl)polystyrene, 50-100 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; (Aminomethyl)polystyrene, 70-90 mesh, extent of labeling: 1.0-1.5 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, 70-90 mesh, extent of labeling: 1.5-2.0 mmol/g N loading, 1 % cross-linked; (Aminomethyl)polystyrene, macroporous, 30-60 mesh, extent of labeling: 1.5-3.0 mmol/g loading; (Aminomethyl)polystyrene, macroporous, 70-90 mesh, extent of labeling: 1.5-3.0 mmol/g loading; Ammonia (includes anhydrous ammonia and aqueous ammonia from water dissociable ammonium salts and other sources 10% of total aqueous ammonia is reportable under this listing); Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Nonflammable gas]; Ammonia, anhydrous, liquefied or ammonia solutions, relative density <0.880 at 15 C in water, with >50% ammonia [UN1005] [Poison gas, Corrosive]; StratoSpheres(TM) PL-AMS resin, 100-200 mesh, extent of labeling: ~1.0 mmol/g loading, 1 % cross-linked with divinylbenzene; StratoSpheres(TM) PL-AMS resin, 100-200 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 30-40 mesh, extent of labeling: 1.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 30-40 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked; StratoSpheres(TM) PL-AMS resin, 50-100 mesh, extent of labeling: 2.0 mmol/g loading, 1 % cross-linked"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16134	DB11118	DR0100	DR00194	17.031	0	H3N	1	0	-0.7	1	1	1	N	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N
DG01768	Benzene	241	"Benzene; benzol; 71-43-2; Cyclohexatriene; benzole; Pyrobenzole; Benzine; Benzen; Phenyl hydride; Pyrobenzol; Phene; Mineral naphtha; Coal naphtha; Bicarburet of hydrogen; Benzolene; Benzin; [6]Annulene; Motor benzol; Carbon oil; Benzeen; Benzolo; Fenzen; Nitration benzene; (6)Annulene; Benzol 90; Rcra waste number U019; NCI-C55276; NSC 67315; UN 1114; CHEBI:16716; UNII-J64922108F; CHEMBL277500; MFCD00003009; Hydrocarbons, C4-8; J64922108F; Benzeen [Dutch]; Benzen [Polish]; Fenzen [Czech]; Benzolo [Italian]; BNZ; Benzine (Obs.); Benzin (Obs.); Caswell No. 077; Benzol diluent; Benzene 100 microg/mL in Methanol; Benzene, ACS reagent, >=99.0%; Benzene, pure; CCRIS 70; 54682-86-9; HSDB 35; 1,3,5-cyclohexatriene; EINECS 200-753-7; UN1114; EPA Pesticide Chemical Code 008801; Annulene; Benzinum; Benzolum; Aromatic alkane; Benzene (including benzene from gasoline); p-benzene; benzene solution; benzene-; AI3-00808; 1hyz; 1swi; [6]-annulene; 68956-52-5; Benzene ACS Grade; Benzene, for HPLC; {[6]Annulene}; Ph-H; Phenyl; Phenyl Radical; 2z9g; 4i7j; Benzene + aniline combo; DSSTox_CID_135; Benzene, labeled with carbon-14 and tritium; WLN: RH; Epitope ID:116867; Benzene, purification grade; EC 200-753-7; Benzene, analytical standard; DSSTox_RID_79433; Benzene, LR, >=99%; DSSTox_GSID_39242; ghl.PD_Mitscher_leg0.503; 26181-88-4; Benzene, anhydrous, 99.8%; Benzene, AR, >=99.5%; DTXSID3039242; 3,4-DNH; 1l83; 220l; 223l; Benzene 10 microg/mL in Methanol; ZINC967532; trans-N-Methylphenylcyclopropylamine; ACT02832; BCP26158; Benzene, for HPLC, >=99.8%; Benzene, for HPLC, >=99.9%; NSC67315; Tox21_202487; 1,3-Cyclohexadiene-5,6-diylradical; BDBM50167939; BM 613; NSC-67315; STL264205; Benzene 5000 microg/mL in Methanol; Benzene, purum, >=99.0% (GC); AKOS008967253; MCULE-4899719484; Benzene, SAJ first grade, >=99.0%; CAS-71-43-2; Benzene [UN1114] [Flammable liquid]; Benzene, JIS special grade, >=99.5%; erythro-Phenyl-2-piperidyl-carbinol,(-); NCGC00090744-01; NCGC00090744-02; NCGC00163890-01; NCGC00163890-02; NCGC00260036-01; trans-N, N-Dimethylphenylcyclopropylamine; Cc-34,(+/-); RNG; DS-002542; B0020; FT-0622636; FT-0622637; FT-0622667; FT-0627856; FT-0657604; Q0038; Q2270; Benzene, ACS spectrophotometric grade, >=99%; C01407; Benzene, ReagentPlus(R), thiophene free, >=99%; Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%; Q26841227; Z57120059; Benzene, for residue analysis, suitable for 5000 per JIS; Benzene, suitable for 300 per JIS, >=99.5%, for residue analysis; Benzene, Pharmaceutical Secondary Standard; Certified Reference Material; Benzene, suitable for 1000 per JIS, >=99.5%, for residue analysis; Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	78.11	0	C6H6	0	15.5	2.1	6	0	0	C1=CC=CC=C1	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	UHOVQNZJYSORNB-UHFFFAOYSA-N
DG01769	Hydrogen sulfide	402	"Hydrogen sulfide; sulfane; Hydrosulfuric acid; Hydrogen sulphide; Stink DAMP; Dihydrogen monosulfide; Dihydrogen sulfide; Sulfureted hydrogen; Sewer gas; Netzschwefel; Kolospray; Liquamat; Micowetsulf; Microflotox; Colsul; Crystex; Elosal; Hexasul; Kolofog; Kumulus; Sastid; 7783-06-4; Cosan; Polsulkol Extra; Hydrogene sulfure; Acide sulfhydrique; Schwefelwasserstoff; Corosul D and S; RC-Schwefel Extra; Hydrogen sulfide (H2S); Kolloidschwefel 95; Siarkowodor; Zwavelwaterstof; Cosan 80; Hepatic acid; Hydrogen-sulfide; Idrogeno solforato; Kolo 100; Hydrogen monosulfide; Sulfuretted hydrogen; Hepatic gas; RCRA waste number U135; H2S; CHEBI:16136; CHEBI:26833; UNII-YY9FVM7NSN; YY9FVM7NSN; UN 1053; NSC-403664; Collokit; Kristex; Microthiol; Shreesul; Kumulus FL; Magnetic 6; Caswell No. 812; azufre; Proactiv; Transact; Schwefel, feinverteilter; Hydrogene sulphure; Acide sulphhydrique; Siarkowodor [Polish]; Hydrogen sulfide H2S; Hydrogen sulfuric acid; Magnetic 70, 90, and 95; HSDB 5166; Zwavelwaterstof [Dutch]; EINECS 231-722-6; NA1350; NA2448; UN1350; UN2448; Hydrogen sulfure [French]; RCRA waste no. U135; EPA Pesticide Chemical Code 077501; Hydrogene sulfure [French]; NSC 403664; Acide sulfhydrique [French]; dihydridosulfur; monosulfane; Schwefelwasserstoff [German]; theion; Hydrosulfurate; Idrogeno solforato [Italian]; Acnaveen; Cuticura; Eskamel; Hepatate; Schwefel; Acnil; Meted; Sulfur,sublimed; FEMA No. 3779; Thio radical; HSDB 576; Hydrogen sulfure; Sulfur,colloidal; Liu huang; Sour gas; Colloidal sulphur; Sulfur,micronized; Dome-Acne; intracellular S0; .alpha.-sulfur; Sulfur, colloidal; Bensulfoid (TN); Sulfur,precipitated; dihydrogen(sulfide); sulfure d'hydrogene; EINECS 231-977-3; Sastid (TN); UN1053; component of Bensulfoid; Sour gas (Salt/Mix); Dicyclopropylketone, 90%; Magnetic 70, and 95; EC 231-722-6; Hydrogen sulfide (solution); 37331-50-3; 63705-05-5; Hydrogen sulfide, >=99.5%; CHEMBL1200739; CHEMBL2105487; DTXSID4024149; DTXSID9034941; NIOSH/MX1229000; [SH2]; Sulfur [NA1350] [Class 9]; 8984AF; BDBM50147625; BDBM50498447; NSC403664; Hydrogen sulfide, purum, >=99.0%; AKOS015833648; AKOS015950634; Sulfur [UN1350] [Flammable solid]; BP-21056; Sulfur, molten [NA2448] [Class 9]; Hydrogen sulfide solution, 0.8 M in THF; Hydrogen sulfide [UN1053] [Poison gas]; FT-0698736; MX12290000; Sulfur, powder, 99.998% trace metals basis; C00087; C00283; D00024; EC 231-977-3; F21255; Sulfur, molten [UN2448] [Flammable solid]; A857440; Q170591; Q7636182; Q60998679; F5FD384D-E823-4920-B313-6476A1F3F0C5"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	34.08	0	H2S	1	0	0.5	1	1	1	S	InChI=1S/H2S/h1H2	RWSOTUBLDIXVET-UHFFFAOYSA-N
DG01770	Dimethyl sulfoxide	679	"Dimethyl sulfoxide; DMSO; 67-68-5; Methyl sulfoxide; Methylsulfinylmethane; Dimethylsulfoxide; Dimethyl sulphoxide; Methane, sulfinylbis-; Demsodrox; Demasorb; Demavet; Dimexide; Domoso; Dromisol; Durasorb; Infiltrina; Somipront; Syntexan; Deltan; Demeso; Dolicur; Hyadur; sulfinylbismethane; Dimethyl sulfur oxide; Dermasorb; Dipirartril-tropico; Doligur; Kemsol; Gamasol 90; Sulfinylbis(methane); Sclerosol; Topsym; Dimethylsulphoxide; Rimso-50; Dimethylsulfoxid; Dimethylsulfoxyde; Rimso 50; SQ 9453; NSC-763; Caswell No. 381; Dimetil sulfoxido; Dimethyli sulfoxidum; CCRIS 943; (methylsulfinyl)methane; (CH3)2SO; DMS-90; NSC 763; A 10846; Methyl sulphoxide; dimethyl-sulfoxide; S(O)Me2; M 176; UNII-YOW8V9698H; Methane, 1,1'-sulfinylbis-; EPA Pesticide Chemical Code 000177; DMS 70; DMS 90; AI3-26477; MFCD00002089; CHEMBL504; NSC763; YOW8V9698H; Dimethyl sulfoxide, HPLC Grade; CHEBI:28262; SQ-9453; Dimethyl sulfoxide, 99%; Sulfinylbis-methane; 103759-08-6; Topsym (rescinded); Rimso-5; Domoso (Veterinary); methylsulfoxide; Dimexidum; sulfinyldimethane; Dimetilsolfossido; Dimetilsolfossido [DCIT]; Dimethyl sulpoxide; Fatty acids, tall-oil, polymers with Me epoxyoctadecanoate and tetraethylenepentamine; HSDB 80; Sulfoxide, dimethyl; methanesulfinylmethane; DMS-70; Dimethylsulfoxyde [INN-French]; Dimetil sulfoxido [INN-Spanish]; (methanesulfinyl)methane; Dimethyli sulfoxidum [INN-Latin]; EINECS 200-664-3; C2H6OS; Diluent; dimethysulfoxide; dimethlysulfoxide; dimethvlsulfoxide; dimethyisulfoxide; dimethylsulphoxid; dimethy sulfoxide; dimetyl sulfoxide; dimethyisulphoxide; dimethyl sulfoxyde; dimethyl-sulfoxyde; dimethyl suiphoxide; dimethyl-sulphoxide; dirnethyl sulfoxide; Dimethyl sulfoxixde; methylsulfmylmethane; dimethyl sulf oxide; Sulfinyl bis(methane); 2-Thiapropane2-oxide; Dimethyl sulfoxide [USAN:USP:INN:BAN]; DMSO, sterile filtered; dimethylsulfoxide solution; Methyl sulfoxide (8CI); Rimso-50 (TN); Dimethyl sulfoxide(DMSO); DMSO (Sterile-filtered); DMSO, Dimethyl Sulfoxide; DSSTox_CID_1735; Dimethyl sulfoxide solution; (DMSO); DMSO (Dimethyl sulfoxide); EC 200-664-3; Sulfinylbis-methane (9CI); DSSTox_RID_76298; H3C-SO-CH3; BIDD:PXR0182; DSSTox_GSID_21735; Dimethyl sulfoxide, >=99%; Dimethyl sulfoxide, anhydrous; Dimethyl sulfoxide, for HPLC; Methane, sulfinylbis- (9CI); WLN: OS1&1; Dimethyl sulfoxide, >=99.5%; Dimethyl sulfoxide, PCR Reagent; DTXSID2021735; Dimethyl sulfoxide, ACS reagent; Methyl sulfoxide, >=99%, FG; Dimethyl sulfoxide, p.a., 99%; Dimethyl sulfoxide, LR, >=99%; Pharmakon1600-01506122; AMY14894; CS-B1637; Dimethyl sulfoxide (JAN/USP/INN); HY-Y0320; ZINC5224188; Tox21_300957; BDBM50026472; NSC760436; STL264194; Dimethyl sulfoxide, AR, >=99.5%; AKOS000121107; CCG-213615; DB01093; Dimethyl sulfoxide, analytical standard; MCULE-2005841258; NSC-760436; CAS-67-68-5; MRF-0000764; (methanesulfinyl)methanedimethyl sulfoxide; Dimethyl sulfoxide, for molecular biology; NCGC00163958-01; NCGC00163958-02; NCGC00163958-03; NCGC00254859-01; Dimethyl sulfoxide, anhydrous, >=99.9%; Dimethyl sulfoxide, HPLC grade, 99.9%; Dimethyl Sulfoxide [for Spectrophotometry]; Dimethyl sulfoxide, for HPLC, >=99.5%; Dimethyl sulfoxide, for HPLC, >=99.7%; DS-015031; D0798; D1159; D5293; Dimethyl sulfoxide, ACS reagent, >=99.9%; Dimethyl sulfoxide, AldraSORB(TM), 99.8%; FT-0625099; FT-0625100; D01043; Dimethyl sulfoxide solution, 50 wt. % in H2O; Dimethyl sulfoxide, >=99.6%, ReagentPlus(R); Dimethyl sulfoxide, ReagentPlus(R), >=99.5%; AB01563146_01; Dimethyl sulfoxide, p.a., ACS reagent, 99.9%; Dimethyl sulfoxide, SAJ first grade, >=99.0%; Dimethyl sulfoxide, JIS special grade, >=99.0%; Dimethyl sulfoxide, Vetec(TM) reagent grade, 99%; Q407927; Dimethyl sulfoxide, UV HPLC spectroscopic, 99.9%; Dimethyl sulfoxide, anhydrous, ZerO2(TM), >=99.9%; Dimethyl sulfoxide, meets EP, USP testing specifications; Dimethyl sulfoxide, ACS spectrophotometric grade, >=99.9%; Dimethyl sulfoxide, puriss. p.a., dried, <=0.02% water; 4H-1,3-oxazine,2-cyclopentyl-5,6-dihydro-4,4,7-trimethyl-; Dimethyl sulfoxide, >=99.5% (GC), plant cell culture tested; Dimethyl sulfoxide, BioUltra, for molecular biology, >=99.5% (GC); Dimethyl sulfoxide, European Pharmacopoeia (EP) Reference Standard; Dimethyl sulfoxide, puriss. p.a., ACS reagent, >=99.9% (GC); Dimethyl sulfoxide, Vetec(TM) reagent grade, anhydrous, >=99.7%; Dimethyl sulfoxide, >=99.0%, suitable for absorption spectrum analysis; Dimethyl sulfoxide, United States Pharmacopeia (USP) Reference Standard; Dimethyl sulfoxide, for inorganic trace analysis, >=99.99995% (metals basis); Dimethyl sulfoxide, meets EP testing specifications, meets USP testing specifications; Dimethyl sulfoxide, Hybri-Max(TM), sterile-filtered, BioReagent, suitable for hybridoma, >=99.7%; Dimethyl sulfoxide, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC); Dimethyl sulfoxide, sterile-filtered, BioPerformance Certified, meets EP, USP testing specifications, suitable for hybridoma"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28262	DB01093	.	DR01178	78.14	0	C2H6OS	36.3	29	-0.6	4	0	2	CS(=O)C	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	IAZDPXIOMUYVGZ-UHFFFAOYSA-N
DG01771	Ethanol	702	"Ethanol; ethyl alcohol; alcohol; 64-17-5; grain alcohol; Methylcarbinol; Ethyl hydroxide; Ethyl hydrate; Tecsol; EtOH; Algrain; Anhydrol; Denatured alcohol; Hydroxyethane; Alkohol; Jaysol S; Potato alcohol; Cologne Spirit; Absolute ethanol; Ethanol 200 proof; Molasses alcohol; Spirits of wine; etanol; Aethylalkohol; Denatured ethanol; Aethanol; Alcool ethylique; 1-Hydroxyethane; Fermentation alcohol; Alcohol, diluted; Tecsol C; Alcohols; Alcool etilico; Dehydrated ethanol; Etanolo; Jaysol; Etylowy alkohol; absolute alcohol; Ethanol solution; Alcohol, ethyl; Alcohol dehydrated; Alkoholu etylowego; Ethyl alcohol usp; Alcohol, anhydrous; Synasol; Ethyl alcohol anhydrous; Denatured alcohol CD-5; Denatured alcohol SD-1; Distilled spirits; Denatured alcohol CD-5a; Denatured alcohol SD-3a; Dehydrated alcohol; Denatured alcohol CD-10; Denatured alcohol SD-17; Denatured alcohol SD-28; Denatured alcohol SD-30; Denatured alcohol SD-13a; Denatured alcohol SD-23a; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Ethylalcohol; Spirit; SD Alchol 23-hydrogen; Alcohol anhydrous; Alkohol [German]; Aethanol [German]; Etanolo [Italian]; Alcohol, dehydrated; Ethyl alcohol & water, 5%; Thanol; Ethanol, undenatured; Spirt; Alcare Hand Degermer; Ethyl alcohol & water, 10%; Ethyl alcohol & water, 20%; Ethyl alcohol & water, 30%; Ethyl alcohol & water, 40%; Ethyl alcohol & water, 50%; Ethyl alcohol & water, 60%; Ethyl alcohol & water, 70%; Ethyl alcohol & water, 80%; Ethyl alcohol & water, 95%; Ethyl alcohol & water, 96%; Ethyl alc; Ethylalcohol [Dutch]; Ethyl alcohol and water; NCI-C03134; Alcohol (ethyl alcohol); Alcohol [USP]; Ethicap; Hinetoless; Cologne spirits; Caswell No. 430; Reagent Alcohol; Infinity Pure; Aethylalkohol [German]; Desinfektol EL; Anhydrous alcohol; Ethyl alcohol in alcoholic beverages; FEMA No. 2419; FEMA Number 2419; Alcool etilico [Italian]; Etylowy alkohol [Polish]; Ethyl alcohol, undenatured; Alcool ethylique [French]; C2H5OH; Alkoholu etylowego [Polish]; HSDB 82; SDM No. 37; AI3-01706; CCRIS 945; Ethanol Vapor; SD alcohol 23-hydrogen; Alcohol denatured; Ru-Tuss Hydrocodone Liquid; Alcohol, denatured; Ethanol, denatured; Ethanol, Anhydrous; NSC 85228; Alcohol (USP); EPA Pesticide Chemical Code 001501; Absolute ethyl alcohol; UNII-3K9958V90M; Punctilious ethyl alcohol; Ethanol Absolute; Ethanol, anhydrous, denatured; CHEBI:16236; NSC-85228; 3K9958V90M; Ethanol, CDA 19; Ethanol, 200 Proof; Ethyl Alcohol Denatured; Ethylol; Alcohols, C1-3; Ethanol Anhydrous; Alcohol, Absolute; EOH; Ethanol [JAN]; Sekundasprit; alcohol etilico; spiritus vini; MFCD00003568; Anhydrous ethanol; Ethanol denatured; C2H6O; Lux; SY Fresh M; Esumiru WK 88; Ethanol (9CI); Ethanol, silent spirit; ALCOHOL DENAT.; Anhydrol PM 4085; Ethyl alcohol, anhydrous; Ethyl alcohol (Ethanol); Higher alcohol distillate; ALCOHOL 5% IN DEXTROSE 5%; EINECS 200-578-6; Cologne spirits (alcohol); SDA 3A; Alcoholum; Ethanolum; Ethylicum; silent spirit; diluted Alcohol; Ethanol in alcoholic beverages; Vodka; Alcohol,ethyl; Edible alcohol; Alcohol,sda; ethanol-; 100C.NPA; CDA 19; IMS 99; Sd alcohol; Ethanol, dimer; Alcohol,denatured; Alcohol (ethyl); Alcohol,dehydrated; undenatured Ethanol; AHD 2000; Ethanol, dehydrated; SDA 40-2; VANILLA Powder; EINECS 270-649-4; Eosin Y, Alcoholic; Alcohol 95%; Alcohol 190 proof; CDA 19-200; Ethyl Alcohol 40%; Ethyl Alcohol 70%; Ethyl Alcohol 75%; Ethyl Alcohol 80%; Ethyl Alcohol 90%; Ethyl alcohol, absolute; Ethanol, 99.8%; Ethanol, technical grade; Fatty Alcohol C8-10; Reagent Alcohol, 70%; Reagent Alcohol, 80%; Reagent Alcohol, 95%; CH3CH2OH; Dehydrated ethanol (TN); Ethyl Alcohol 47.5%; DSSTox_CID_584; Ethyl alcohol, dehydrated; Ethanol, standard for GC; Industrial Alcohol (IMS); bmse000297; CHEMBL545; EC 200-578-6; Ethanol, >=99.5%; Aerosol  OT Solution; Anhydrous ethanol (JP17); Reagent Alcohol, for HPLC; Ethanol, analytical standard; DSSTox_RID_75674; SD 3A; DSSTox_GSID_20584; Ru-Tuss Liquid (Salt/Mix); Ethanol, USP, 99.5%; WLN: Q2; 68475-56-9; Ethanol, for residue analysis; Reagent Alcohol, ACS reagent; Alcohol determination--alcohol; Duplicating Fluid 100C.NPA; Ethanol, p.a., 99.8%; Reagent Alcohol, reagent grade; SDM No. 37 (Salt/Mix); GTPL2299; Alcohol dehydrated, >=85.0%; DTXSID4028331; DTXSID9020584; Ethanol, technical grade, 93%; Ethanol, technical grade, 99%; UNII-7528N5H79B; CHEBI:17246; Ethanol, 95.1-96.9%; poly(vinyl alcohol) macromolecule; Ru-Tuss Expectorant (Salt/Mix); Ethyl alcohol (6CI,7CI,8CI); Ethanol, technical grade, 93.8%; Ethanol, technical grade, 99.5%; Ethanol, >=99.5%, for HPLC; NSC85228; STR05604; Ethyl Alcohol 95% ACS/USP Grade; Tox21_202510; 6869AF; STL264245; Ethanol 2000 microg/mL in Methanol; Ethanol, 95.0%, (190 proof); Ethanol, p.a., ACS reagent, 96%; Ethanol, tested according to Ph.Eur.; Ethanol, USP, 70.0-72.0%; Ethanol, USP, 94.9-96.0%; AKOS009104571; Ethanol, Reagent (Denatured SDA 3A); 7528N5H79B; DB00898; Ethanol 10000 microg/mL in Methanol; Ethanol, absolute, >=99.8% (GC); Ethanol, UV HPLC spectroscopic, 95%; MCULE-8818474596; UN 1170; CAS-64-17-5; Ethanol, denatured, (UK IDA standard); Ethanol, SAJ first grade, >=99.5%; Ethyl Alcohol Absolute, ACS/USP Grade; Ethanol, JIS special grade, >=99.5%; Ethanol, p.a., ACS reagent, 95.0%; Ethanol, technical grade, 92.6-93.8; NCGC00091458-01; NCGC00091458-02; NCGC00260059-01; Reagent Alcohol, spectrophotometric grade; Ethanol, >50% in a non hazardous diluent; Ethanol, absolute, for HPLC, >=99.8%; Ethanol, anhydrous, denatured, HPLC Grade; Ethyl Alcohol 95% (Synthetic) FCC Grade; Ethanol, ACS reagent, 99.8, 200 proof; Ethanol, JIS first grade, 94.8-95.8%; Ethyl Alcohol Absolute (Organic) USP Grade; E1510; Ethanol solution, EP, BP, 69.5-70.4%; Ethanol, denatured, Spectrophotometric Grade; Ethanol, JIS special grade, 94.8-95.8%; FT-0625729; FT-0625731; FT-0625732; FT-0668048; Ethanol, >=99.5%, SAJ super special grade; PM-6193-200; Reagent Alcohol, anhydrous, <=0.003% water; Reagent Alcohol, anhydrous, <=0.005% water; C00469; D00068; Ethanol, >=99.5%, suitable for fluorescence; Ethanol, Alcohol Reagent, anhydrous, denatured; Ethyl Alcohol 95% (Grain Derived) FCC Grade; Ethyl Alcohol 95% (Synthetic) ACS/USP Grade; Ethanol, >10 - 24% in a non hazardous diluent; Ethanol, >24 - 50% in a non hazardous diluent; Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade; SR-01000944357; Ethanol, puriss. p.a., absolute, >=99.8% (GC); SR-01000944357-1; Ethanol, denatured (5 % IPA, 5 % n-propylacetate); Reagent Alcohol, used for histology tissue preparation; Ethanol, anhydrous, denatured, Spectrophotometric Grade; Ethyl alcohol, Pure, 190 proof, for molecular biology; Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%; Ethyl alcohol, Pure, 200 proof, for molecular biology; Ethanol, absolute, >=99.8% (GC), sales not in Germany; Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%; Reagent Alcohol, 70%, used for histology tissue preparation; Reagent Alcohol, 80%, used for histology tissue preparation; 1E37B0D2-6209-4B03-A57D-500F3223C2DA; Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol, >=99.5%, suitable for absorption spectrum analysis; Ethanol-water solutions, NIST(R) SRM(R) 1828b, six levels; Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade; Reagent Alcohol, 95%, Used for histology tissue preparation; Ethanol solution, NIST(R) SRM(R) 2897a, nominal mass fraction 2%; Ethanol solution, NIST(R) SRM(R) 2898a, nominal mass fraction 6%; Ethanol solution, NIST(R) SRM(R) 2899a, nominal 25% by mass; Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%; Ethanol, suitable for 300 per JIS, >=99.5%, for residue analysis; Ethyl alcohol, Pure, 190 proof, meets USP testing specifications; Ethyl alcohol, Pure, 200 proof, anhydrous, ZerO2(TM), >=99.5%; Ethyl alcohol, Pure, 200 proof, meets USP testing specifications; Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol; Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol Fixative 80% v/v, suitable for fixing solution (blood films); Ethanol solution, certified reference material, 2000 mug/mL in methanol; Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard; Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%; Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC); Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826); Ethanol, suitable for 1000 per JIS, >=99.5%, for residue analysis; Ethanol-water solution, NIST(R) SRM(R) 2894, nominal mass fraction 0.1%; Ethanol-water solution, NIST(R) SRM(R) 2895, nominal mass fraction 0.2%; Ethanol-water solution, NIST(R) SRM(R) 2896, nominal mass fraction 0.3%; Ethanol-water solution, NIST(R) SRM(R) 2900, nominal 95.6% by mass; Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 200 proof, SDA 3C, contains"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16236	DB00898	DR0655	DR00377	46.07	0	C2H6O	20.2	2.8	-0.1	3	1	1	CCO	"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3"	LFQSCWFLJHTTHZ-UHFFFAOYSA-N
DG01772	Hydrogen peroxide	784	"Hydrogen peroxide; 7722-84-1; perhydrol; oxydol; Hydrogen dioxide; hydroperoxide; Superoxol; Interox; Inhibine; Peroxaan; Peroxide; Albone; Hioxyl; Kastone; Albone 35; Albone DS; Dihydrogen dioxide; T-Stuff; Lensept; Elawox; Perone; Albone 50; Albone 70; Perone 50; Albone 35CG; Albone 50CG; Albone 70CG; Hydrogen peroxide solution; H2O2; Hydrogen peroxide (H2O2); Peroxan; Hydrogen peroxide, 30%; Hydrogen dioxide solution; Hydrogen peroxide, 90%; Perone 30; Perone 35; Hydrogen peroxide, solution; Waterstofperoxyde; Hydrogen peroxide, 3%; Wasserstoffperoxid; Caswell No. 486AAA; Peroxyde d'hydrogene; Perossido di idrogeno; Asepticper; Baquashock; Crystacide; Peroxclean; CCRIS 1060; Dentasept; HSDB 547; Hybrite; Metrokur; Mirasept; Oxigenal; Oxyfull; Oxysept; Pegasyl; Hipox; Select Bleach; Hydrogen peroxide, solution, 3%; Hydrogen peroxide solution (DOT); Xtra White; Hydrogen peroxide (conc > 52%); Oxysept I; Hydrogen peroxide solutions; Hydrogen peroxide, solution, 30%; Hydrogen peroxide, solution, 35%; Lensan A; Odosat D; UNII-BBX060AN9V; Adeka Super EL; Crestal Whitestrips; UN2014; UN2015; UN2984; EPA Pesticide Chemical Code 000595; Anti-Keim 50; Hydrogen peroxide, 8% to 20%; Hydrogen peroxide, 20% to 60%; Hydrogen peroxide (> 52% conc.); Hydrogen peroxide [USP]; MFCD00011333; UN 2015 (>52%); BBX060AN9V; UN 2984 (8%-20%); UN 2014 (20%-52%); CHEBI:16240; NSC-19892; Hydrogen peroxide solutions (over 8% but not over 60%); Hydrogen peroxide solutions (over 60% but not over 70%); Hydrogen peroxide (USP); PEO; dioxidane; Puresept; hydrogenperoxide; Waterstofperoxyde [Dutch]; Accel Concentrate; Wasserstoffperoxid [German]; Astri-UC; HTP [peroxide]; High Test Peroxide; CIX; Peroxyde d'hydrogene [French]; Teat dip HP 5; Perossido di idrogeno [Italian]; Pre milk HP 0.5; Pre milk HP 1.0; Hydrogen peroxide 35%; EINECS 231-765-0; NSC 19892; Pre milk HP 0.5 10; Whitespeed; Eskata; Magic Bleaching; Clarigel Gold; Hyrogen peroxide; Lase Peroxide; Quasar Brite; Opalescence Xtra; Whiteness HP; Deslime LP; Hydrogen peroxide (conc >52%); hydrogen per oxide; dihydrogen peroxide; dihydrogen(peroxide); Oxyfull (TN); HOOH; hydrogen hydroperoxide; Nite White Excel 2; Oxydol (JP17); Hydrogen peroxide 50%; HYDROGEN-PEROXIDE; Hydrogen peroxide aqueous; Hydrogen Peroxide, 50%; Hydrogen peroxide (8CI); MolMap_000025; bis(hydridooxygen)(O--O); EC 231-765-0; 30 %Hydrogen peroxide(aq); CHEMBL71595; Hydrogen peroxide 32 wt. %; OXTERIL  350 SPRAY; [OH(OH)]; DTXSID2020715; Hydrogen peroxide, 6% in water; Hydrogen peroxide (H2O2) (9CI); NSC19892; WLN: H2 O2 90%; Hydrogen Peroxide [Topical Solution]; AKOS015856794; DB11091; QTL1_000041; Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary) [UN2984] [Oxidizer]; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide [UN2015] [Oxidizer]; FT-0627133; H1222; C00027; D00008; Hydrogen peroxide solution, 3%, for microbiology; Hydrogen peroxide solution, for ultratrace analysis; Q171877; Q1088474; Hydrogen peroxide solution, extra pure, 30.0-32.0%; Hydrogen peroxide solution, purum p.a., >=30% (RT); Hydrogen peroxide solution, purum p.a., >=35% (RT); Hydrogen peroxide solution, >=30%, for trace analysis; Hydrogen peroxide solution, SAJ first grade, >=30.0%; Hydrogen peroxide solution, tested according to Ph.Eur.; Hydrogen peroxide solution, 50 wt. % in H2O, stabilized; Hydrogen peroxide solution, JIS special grade, 30.0-35.5%; Hydrogen peroxide solution, 30 % (w/w) in H2O, contains stabilizer; Hydrogen peroxide solution, contains inhibitor, 35 wt. % in H2O; Hydrogen peroxide solution, p.a., ACS reagent, reag. ISO, 30.0%; Hydrogen peroxide 30%, meets the analytical specifications of Ph. Eur., stabilized; Hydrogen Peroxide Solution, 30% (w/w), puriss. p.a., reag. ISO, reag. Ph. Eur.; Hydrogen peroxide solution, AR, contains sodium pyrophosphate as stabilizer, >=30 % (w/v); Hydrogen peroxide solution, contains ~200 ppm acetanilide as stabilizer, 3 wt. % in H2O; Hydrogen peroxide solution, contains inhibitor, 30 wt. % in H2O, ACS reagent; Hydrogen peroxide solution, LR, contains sodium pyrophosphate as stabilizer, >=30 % (w/v); Hydrogen peroxide solution, LR, contains sodium pyrophosphate as stabilizer, >=50 % (w/v); Hydrogen peroxide solution, meets analytical specification of Ph. Nord., 34.5-36.5%; Hydrogen peroxide solution, puriss. p.a., ACS reagent, not stabilized, >=30% (RT); Hydrogen peroxide solution, semiconductor grade MOS PURANAL(TM) (Honeywell 17937), >=30%; Hydrogen peroxide solution, semiconductor grade PURANAL(TM) (Honeywell 17948), >=30%; Hydrogen peroxide solution, semiconductor grade ULSI PURANAL(TM) (Honeywell 17024), >=30%; Hydrogen peroxide solution, semiconductor grade VLSI PURANAL(TM) (Honeywell 17606), >=30%; Hydrogen peroxide solution, contains inhibitor, 30 wt. % in H2O, meets USP testing specifications; Hydrogen peroxide solution, contains potassium stannate as inhibitor, 30-32 wt. % in water, semiconductor grade, 99.999% trace metals basis; Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with >40% but not >60% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with not <20% but not >40% hydrogen peroxide (stabilized as necessary) [UN2014] [Oxidizer]; Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary); Hydrogen peroxide, aqueous solutions with not <8% but <20% hydrogen peroxide (stabilized as necessary) [UN2984] [Oxidizer]; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide; Hydrogen peroxide, stabilized or hydrogen peroxide aqueous solutions, stabilized with >60% hydrogen peroxide [UN2015] [Oxidizer]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16240	DB11091	DR0832	.	34.015	0	H2O2	40.5	0	-0.9	2	2	2	OO	InChI=1S/H2O2/c1-2/h1-2H	MHAJPDPJQMAIIY-UHFFFAOYSA-N
DG01773	Hydroquinone	785	"Hydroquinone; Benzene-1,4-diol; 1,4-benzenediol; 123-31-9; Quinol; 1,4-Dihydroxybenzene; p-Benzenediol; p-Hydroquinone; p-Hydroxyphenol; p-Dihydroxybenzene; 4-Hydroxyphenol; Benzoquinol; Eldoquin; hydroquinol; Eldopaque; Phiaquin; p-Dioxybenzene; Dihydroquinone; Hydroquinole; Idrochinone; Tecquinol; Dihydroxybenzene; Solaquin forte; Benzohydroquinone; Arctuvin; Hidroquinone; Tequinol; Derma-Blanch; Tenox HQ; Hydrochinon; Hydrochinone; Artra; Eldopaque Forte; Eldoquin Forte; Diak 5; Benzene, p-dihydroxy-; 1,4-Dihydroxy-benzol; Usaf ek-356; 1,4-Diidrobenzene; p-Dioxobenzene; 1,4-Dihydroxybenzen; para-Dioxybenzene; para-Hydroquinone; Pyrogentistic acid; 1,4-Dihydroxy-benzeen; NCI-C55834; HE 5; para-Dihydroxybenzene; Black and White Bleaching Cream; Melanex; Idrochinone [Italian]; Hydrochinon [Czech, Polish]; 1,4-Dihydroxybenzen [Czech]; 1,4-Diidrobenzene [Italian]; 1,4-Dihydroxy-benzeen [Dutch]; 1,4-Dihydroxy-benzol [German]; UNII-XV74C1N1AE; NSC 9247; UN2662; Hydroquinone [USP]; CHEBI:17594; AI3-00072; 4-DIHYDROXYBENZENE; MFCD00002339; HQ; CHEMBL537; XV74C1N1AE; 1,4-Benzenediol, homopolymer; DTXSID7020716; NSC-9247; Hydroquinone [UN2662] [Poison]; Hydroquinone (USP); NCGC00015523-02; beta-quinol; DSSTox_CID_716; para-Hydroxyphenol; DSSTox_RID_75754; DSSTox_GSID_20716; Eldopacque; Hydroquinone (Benzene-1,4-diol); Epiquin; Sunvanish; p Benzendiol; p-Dihydroquinone; alpha-hydroquinone; 26982-52-5; CAS-123-31-9; SMR000059154; CCRIS 714; 1,4-Hydroxybenzene; HSDB 577; SR-01000075920; EINECS 204-617-8; hydroquinon; Hydroquinoue; hydroq uinone; hydroquinone gr; a-Hydroquinone; Black & White Bleaching Cream; p-Hydroxybenzene; b-Quinol; 4-Benzenediol; Hydroquinone, HQ; .beta.-Quinol; 1,4 benzenediol; Hydroquinone,(S); p-dihydroxy benzene; HQE; Hydroquinone polymer; PLQ; Artra (Salt/Mix); 1, 4-Benzenediol; HYDROP; .alpha.-Hydroquinone; phenol derivative, 4; 4-hydroxyphenyl alcohol; Spectrum_001757; 4e3h; SpecPlus_000769; 1,4-Dihydrobenzoquinone; ELDOQUIN (TN); hydroquinone for synthesis; Spectrum2_001672; Spectrum3_000656; Spectrum4_000633; Spectrum5_001430; Lopac-H-9003; 1,2 BENZOLDIOL; WLN: QR DQ; bmse000293; Epitope ID:116206; EC 204-617-8; Lopac0_000577; SCHEMBL15516; BSPBio_002291; KBioGR_001246; KBioSS_002237; 1,4-Dihydroxybenzene, XIII; Hydroquinone-1,4-Benzenediol; MLS000069815; MLS001074911; BIDD:ER0340; DivK1c_006865; Hydroquinone, LR, >=99%; SPECTRUM1504237; Hydrochinon(CZECH, POLISH); SPBio_001883; BDBM26190; Hydroquinone, puriss., 99.0%; KBio1_001809; KBio2_002237; KBio2_004805; KBio2_007373; KBio3_001511; NSC9247; Benzene-1,4-diol (Hydroquinone); HMS1922H15; HMS2093E08; HMS3261D16; LABOTEST-BB LTBB001931; Pharmakon1600-01504237; HY-B0951; ZINC5133378; Tox21_110169; Tox21_202345; Tox21_300015; Tox21_500577; CCG-39082; NSC758707; s4580; STK397446; AKOS000119003; Tox21_110169_1; AM10548; AS00174; DB09526; LP00577; MCULE-3953269041; NSC-758707; SDCCGSBI-0050559.P003; UN 2662; Hydroquinone, ReagentPlus(R), >=99%; Hydroquinone, USP, 99.0-100.5%; NCGC00015523-01; NCGC00015523-03; NCGC00015523-04; NCGC00015523-05; NCGC00015523-06; NCGC00015523-07; NCGC00015523-08; NCGC00015523-09; NCGC00015523-10; NCGC00015523-11; NCGC00015523-12; NCGC00015523-13; NCGC00015523-19; NCGC00090880-01; NCGC00090880-02; NCGC00090880-03; NCGC00090880-04; NCGC00090880-05; NCGC00254037-01; NCGC00259894-01; NCGC00261262-01; BP-21160; DA-33570; Hydroquinone, ReagentPlus(R), >=99.5%; SBI-0050559.P002; Hydroquinone, SAJ first grade, >=99.0%; EU-0100577; FT-0606877; H0186; Hydroquinone, SAJ special grade, >=99.0%; Hydroquinone, meets USP testing specifications; C00530; D00073; H 9003; AB00053361_08; Quinol; 1,4-Benzenediol; 1,4-Dihydroxybenzene; Q419164; J-004910; J-521469; SR-01000075920-1; SR-01000075920-4; Q27102742; Z57127551; 094CADDB-59BF-4EDF-B278-59791B203EA2; F1908-0167; Hydroquinone, certified reference material, TraceCERT(R); Hydroquinone, United States Pharmacopeia (USP) Reference Standard; Hydroquinone, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17594	DB09526	DR0835	.	110.11	0	C6H6O2	40.5	54.9	0.6	8	2	2	C1=CC(=CC=C1O)O	"InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H"	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
DG01774	Indole-3-acetic acid	802	"Indole-3-acetic acid; 87-51-4; 3-Indoleacetic acid; indoleacetic acid; Heteroauxin; 1H-Indole-3-acetic acid; 1H-indol-3-ylacetic acid; 2-(1H-Indol-3-yl)acetic acid; Rhizopin; Indol-3-ylacetic acid; 3-Iaa; Rhizopon A; 3-Indolylacetic acid; Hexteroauxin; beta-Indoleacetic acid; 3-(Carboxymethyl)indole; auxin; indoleacetate; Acetic acid, indolyl-; Heteroauxinhexteroauxiniaa; Indolylacetic acid; beta-Indolylacetic acid; IAA; indole-3-acetate; Indolyl-3-acetic acid; omega-Skatole carboxylic acid; Kyselina 3-indolyloctova; (1H-Indol-3-yl)-acetic acid; Indoleacetic acid (VAN); 3-indole acetic acid; (indol-3-yl)acetate; CCRIS 1014; EPA Pesticide Chemical Code 128915; Kyselina 3-indolyloctova [Czech]; (indol-3-yl)acetic acid; AI3-24131; 2-(3-Indolyl)acetic acid; NSC 3787; (1H-Indol-3-yl)acetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indolylessigsaeure; UNII-6U1S09C61L; .alpha.-IAA; .beta.-IAA; Indole 3-acetic acid; 3-Indole-Acetic acid; 1H-Indole-3-acetic acid (9CI); .beta.-Indoleacetic acid; MFCD00005636; .beta.-Indolylacetic acid; .beta.-Indole-3-acetic acid; CHEMBL82411; Indole-3-acetic acid (8CI); .omega.-Skatole carboxylic acid; CHEBI:16411; .alpha.-Indol-3-yl-acetic acid; NSC3787; 6U1S09C61L; Heteroauxine; 3-indoleacetate; DSSTox_CID_738; DSSTox_RID_75762; DSSTox_GSID_20738; 1H-Indole-3-acetate; (1H-indol-3-yl)acetate; CAS-87-51-4; IES; SMR000471855; EINECS 201-748-2; Indolylacetate; b-Indoleacetate; b-Indolylacetate; 3-Indolylacetate; alpha-IAA; beta-Indoleacetate; beta-IAA; beta-Indolylacetate; Indol-3-ylacetate; Indolyl-3-acetate; Skatole carboxylate; b-Indoleacetic acid; IAC; b-Indolylacetic acid; Indole-3acetic acid; indol-3-acetic acid; indole-3-acetic aicd; 3-indolyl acetic acid; 3-indolyl-acetic acid; Skatole carboxylic acid; Acid, 6; 2-(3-Indolyl)acetate; Indole-3-acetic-t acid; 1H-indol-3-acetic acid; Maybridge1_006755; 1H-Indole 3-acetic acid; beta-Indole-3-acetic acid; bmse000177; (1H-Indol-3-yl)-acetate; 3-Indoleacetic acid, 98%; 3-Indoleacetic acid, 99%; Oprea1_602123; SCHEMBL26344; MLS001066408; MLS001331664; MLS001332399; MLS001332400; 3-Indolylmethylcarboxylic acid; alpha-Indol-3-yl-acetic acid; WLN: T56 BMJ D1VQ; [3H]-IAA; DTXSID5020738; HMS560L01; ZINC83860; AMY2736; 2-(1H-indol-3-yl)-acetic acid; HMS2269G24; HMS3604M04; ACT03586; ALBB-006264; BCP26623; NSC-3787; Tox21_202284; Tox21_302731; BBL009348; BDBM50201883; CCG-51070; HTS001756; s4799; STK397461; AKOS000119890; 1H-Indole-3-acetic-a-t acid (9CI); AC-2974; CG-0522; CS-6287; DB07950; MCULE-9266736782; SDCCGMLS-0066204.P001; 3-Indoleacetic acid, >=98.0% (T); NCGC00247039-01; NCGC00247039-02; NCGC00256391-01; NCGC00259833-01; HY-18569; SY003464; DB-011566; BB 0242380; EU-0099905; FT-0627215; FT-0695803; I0022; 3-Indoleacetic acid, technical, >=95% (T); 87I514; C00954; I-1000; I-1040; Q411208; SR-01000596909; 2-(1H-indol-3-yl)acetic acid;Indole-3-acetic acid; 3-Indoleacetic acid, SAJ special grade, >=98.5%; SR-01000596909-1; SR-01000596909-2; 3-Indolyl acetic acid 100 microg/mL in Acetonitrile; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 3-Indoleacetic acid, PESTANAL(R), analytical standard; F0722-8837; 0A0524AE-D755-4E91-A73A-2AD867FE676A; 3-Indoleacetic acid, plant cell culture tested, crystalline"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07950	.	.	175.18	2	C10H9NO2	53.1	205	1.4	13	2	2	C1=CC=C2C(=C1)C(=CN2)CC(=O)O	"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)"	SEOVTRFCIGRIMH-UHFFFAOYSA-N
DG01775	Melatonin	896	"Melatonin; 73-31-4; Melatonine; N-Acetyl-5-methoxytryptamine; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide; Circadin; 5-Methoxy-N-acetyltryptamine; N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide; Melatol; Melovine; Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-; N-[2-(5-methoxyindol-3-yl)ethyl]acetamide; N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide; UNII-JL5DK93RCL; N-acetyl-5-methoxy-tryptamine; NSC 113928; 8041-44-9; CHEMBL45; MFCD00005655; JL5DK93RCL; Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)-; 3-(n-acetyl-2-aminoethyl)-5-methoxyindole; Melatonex; CHEBI:16796; Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-; NSC-56423; NSC113928; NSC-113928; CAS-73-31-4; NCGC00015680-11; DSSTox_CID_2421; DSSTox_RID_76585; DSSTox_GSID_22421; Melapure; Posidorm; Primex; WLN: T56 BMJ D2MV1 GO1; [3H]melatonin; Melatonina (TN); [3H]-melatonin; ML1; SMR000326666; CCRIS 3472; N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide; N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide; SR-01000075559; EINECS 200-797-7; BRN 0205542; [3H]MLT; Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- (9CI); Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI); Melatonine;; Guna-dermo; HSDB 7509; Melatobel (TN); Melatonin (JAN); TNP00300; Prestwick_312; N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide; Spectrum_000185; Guna-dermo (Salt/Mix); Primex (8CI,9CI); Prestwick0_000458; Prestwick1_000458; Prestwick2_000458; Prestwick3_000458; Spectrum2_001344; Spectrum3_001393; Spectrum4_000066; Spectrum5_001745; Lopac-M-5250; M1105; ChemDiv2_003916; M 5250; M-1200; M-1250; Melatonin, >=99.5%; Lopac0_000787; Oprea1_104553; Oprea1_814234; SCHEMBL19018; BSPBio_000536; BSPBio_003006; GTPL224; KBioGR_000591; KBioSS_000665; 5-22-12-00042 (Beilstein Handbook Reference); Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-}; MLS000859594; MLS001055382; MLS001240204; 5-methoxy n-acetyl-tryptamine; BIDD:ER0618; DivK1c_000353; SPECTRUM1500690; SPBio_001527; SPBio_002475; Melatonin (synth.) ultra-pure; BDBM9019; BPBio1_000590; GTPL1357; Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-}; DTXSID1022421; HMS501B15; KBio1_000353; KBio2_000665; KBio2_003233; KBio2_005801; KBio3_002226; ZINC57060; BCI-049; Melatonin 1.0 mg/ml in Methanol; NINDS_000353; 3-N-Acetyl-5-methoxyl tryptamine; HMS1380B22; HMS1569K18; HMS1921E04; HMS2089F09; HMS2096K18; HMS2233D23; HMS3262M16; HMS3370J20; HMS3413P14; HMS3654A22; HMS3677P14; HMS3713K18; HMS3884M05; Melatonin (synth.) standard-grade; ACT03490; AMY33320; BCP28154; HY-B0075; NSC56423; Tox21_110195; Tox21_201527; Tox21_302926; Tox21_500787; CCG-38837; HSCI1_000400; Melatonin, powder, >=98% (TLC); STK386880; AKOS000276269; Tox21_110195_1; CS-1769; DB01065; J5.258B; KS-1454; LP00787; MCULE-1497884152; SDCCGMLS-0065812.P001; SDCCGMLS-0065812.P002; SDCCGSBI-0050765.P003; IDI1_000353; IDI1_002631; SMP2_000309; N-acetyl-5-methoxy-tryptamine Melatonine; NCGC00015680-01; NCGC00015680-02; NCGC00015680-03; NCGC00015680-04; NCGC00015680-05; NCGC00015680-06; NCGC00015680-07; NCGC00015680-08; NCGC00015680-09; NCGC00015680-10; NCGC00015680-12; NCGC00015680-13; NCGC00015680-14; NCGC00015680-15; NCGC00015680-16; NCGC00015680-18; NCGC00015680-35; NCGC00090727-01; NCGC00090727-02; NCGC00090727-03; NCGC00090727-04; NCGC00090727-05; NCGC00090727-06; NCGC00090727-07; NCGC00090727-08; NCGC00090727-09; NCGC00256404-01; NCGC00259077-01; NCGC00261472-01; AC-10019; BA164660; NCI60_004378; SY051401; AB00053279; EU-0100787; FT-0628191; FT-0658928; FT-0670984; S1204; SW196607-4; C01598; D08170; J10164; AB00053279-10; AB00053279_12; {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide; 005M655; A929721; L001261; N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide; Q180912; SR-01000075559-1; SR-01000075559-6; SR-01000075559-7; SR-01000075559-8; {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide; BRD-K97530723-001-07-6; BRD-K97530723-001-11-8; F1929-1777; Melatonin, British Pharmacopoeia (BP) Reference Standard; 0E2B08C1-B325-45B1-8939-6F9081EFDFA4; Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI); Melatonin, United States Pharmacopeia (USP) Reference Standard; Melatonin, Pharmaceutical Secondary Standard; Certified Reference Material; Melatonin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16796	DB01065	DR1018	.	232.28	4	C13H16N2O2	54.1	270	0.8	17	2	2	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC	"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)"	DRLFMBDRBRZALE-UHFFFAOYSA-N
DG01776	Nickel	935	"7440-02-0; Ni; Nickel; Raney alloy; Nickel ion; niccolum; niquel; Nickel foil; Nickel, ion (Ni1+); Nickel,Raney Nickel; UNII-7OV03QG267; nickel(1+); UNII-NUZ5T2QN2V; NICKEL (III) ION; NUZ5T2QN2V; 28Ni; Nickel powder; Nickel rod; Nickel wire; Nickel nanowires; CHEBI:28112; 7OV03QG267; MFCD00011137; Fibrex; Nickel catalyst; Fibrex P; Nickel, elemental; Nichel [Italian]; Nickel 207; Alcan 756; Metallic nickel; Niccolum metallicum; NI 0901-S (harshaw); Nickel Ultrathin foil, 1.0 micron thick; CCRIS 427; EL12; NP 2; Ni 4303T; HSDB 1096; Ni 270; Nickel wire, 0.5mm (0.02in) dia, annealed; Nickel wire, 1.0mm (0.04in) dia, annealed; Nickel wire, 2.0mm (0.08in) dia, annealed; Nickel, elemental/metal; Ni 0901-S; RCH 55/5; Nickel foil, 0.025mm (0.001in) thick, annealed; Nickel, soluble compounds; EINECS 231-111-4; Nickel [Nickel and nickel compounds]; CI 77775; Nickel hydride; Nickel pellets; Nickel pieces; Nickel tubing; Nickel Nanorods; Nickel Nanowire; Nickel, crucible, cylindrical, length 1 pcs, outside diameter 33mm; Nickel, crucible, cylindrical, length 1 pcs, outside diameter 47mm; Raney Nickle; Raney-Nickel; Raney-Nickle; RaneyTM nickel; Nano Nickel; Raney's nickel; C.I. 77775; Ni on silica; Nickel on silica; RaNi; Nickel Nanoprisms; nickel on alumina; Raney(R) nickel; Nickel Monohydride; nickel(I) cation; Nickel Metal Foam; Nickel Nanoparticle; Nickel Metal Wires; 3NI; Nickel atomic spectroscopy standard concentrate 10.00 g Ni, 10.00 g/L, for 1L standard solution, analytical standard; Raney nickel, fine; Raney (R) nickel; Nickel metal and insoluble compounds; Nickel Nanoparticles; nickel(1+) ion; Ra-Ni; Nickel ion(1+); Nickel, metal and insoluble compounds; Nickel Nano Dispersion; Nickel on silica/alumina; Skeletal Nickel Catalyst; Activated Nickel Catalyst; Nickel [Nickel and certain nickel compounds]; Epitope ID:113234; Nanocrystalline Nickel Foil; Nickel Nanowires Properties; Ultra Thin Nickel Nanofoil; EC 231-111-4; nickel sponge metal catalyst; Nickel powder, -100 mesh; Nickel powder, -325 mesh; Nickel, metal, soluble, insoluble, and inorganic; Ni(+); Nickel ~60wt% on kieselguhr; Nickel Metal Organic Framework; Nickel Metal-Organic Framework; Nickel, p.a., 99.8%; DTXSID2020925; Nickel Powder, 99.5+% Nano; CHEBI:30399; Carbon Coated Nickel Nanoparticle; DTXSID20872443; Nickel nanopowder, APS 5-20nm; Nickel powder, -50+100 mesh; Nickel powder, APS 3-7 micron; Submicron Superfine Nickel Powder; Nickel powder, -150+200 mesh; BCP27597; Nickel wire cloth, 34 x 34 mesh; Nickel plating solution, electroless; MFCD06798735; Nickel based Metal Organic Framework; Nickel-based Metal-Organic Framework; Nickel rod, 12.7mm (0.5in) dia; Nickel rod, 3.2mm (0.12in) dia; AKOS005259071; Nickel powder, spherical, -300 mesh; Nickel powder, spherical, -400 mesh; Nickel Silica Core Shell Nanoparticles; Nickel Silver Core/Shell Nanoparticles; Nickel pieces, 5x5cm (2.0x2.0in); Nickel rod, 6.35mm (0.25in) dia; Nickel foil, 1.0mm (0.04in) thick; Nickel foil, 2.0mm (0.08in) thick; Nickel foil, 0.1mm (0.004in) thick; Nickel foil, 0.25mm (0.01in) thick; Nickel powder, -120 mesh, Puratronic ; BP-12712; Nickel lump, vacuum remelted, low Oxygen; Nickel plate, 6.35mm (0.25in) thick; Nickel powder, low carbon, Puratronic(R); Nickel wire, 0.38mm (0.015in) dia; Nickel wire, 0.63mm (0.025in) dia; Nickel, hollow spheres, ca. 3.5mm dia.; Nickel shot, 3-25mm (0.1-0.98in); Nickel Ultrathin foil, 0.25 micron thick; Copper Telluride (CuTe) Sputtering Targets; Nickel foil, 0.025mm (0.001in) thick; Nickel plating solution, semi-bright finish; Nickel powder, spherical, -100+325 mesh; Nickel wire, 1.0mm (0.04in) dia, hard; Nickel, rod, 50mm, diameter 30mm, 99%; Nickel, rod, 50mm, diameter 40mm, 99%; FT-0703645; Nickel, foil, thickness 1.0 mm, 99.98%; Nickel, rod, 100mm, diameter 30mm, 99%; Nickel, rod, 100mm, diameter 40mm, 99%; Nickel, rod, 200mm, diameter 30mm, 99%; Nickel, rod, 200mm, diameter 40mm, 99%; Nickel, foil, thickness 1.0 mm, 99.995%; Nickel, rod, 100mm, diameter 3.0mm, 99%; Nickel, rod, 100mm, diameter 9.5mm, 99%; Nickel, rod, 200mm, diameter 3.0mm, 99%; Nickel, rod, 200mm, diameter 9.5mm, 99%; Nickel, rod, 500mm, diameter 3.0mm, 99%; Nickel, rod, 500mm, diameter 9.5mm, 99%; Nickel, wire, diam. 0.25 mm, >=99.9%; C00291; Nickel flake, -325 mesh, 0.37 micron thick; Nickel Thinfoil, 0.01mm (0.0004in) thick; Nickel wire, 0.01mm (0.0004in) dia, hard; Nickel wire, 0.025mm (0.001in) dia, hard; Nickel, rod, 1000mm, diameter 3.0mm, 99%; Nickel, rod, 1000mm, diameter 9.5mm, 99%; Nickel, rod, 100mm, diameter 12.0mm, 99%; Nickel, rod, 100mm, diameter 20.0mm, 99%; Nickel, rod, 100mm, diameter 6.35mm, 99%; Nickel, rod, 200mm, diameter 12.0mm, 99%; Nickel, rod, 200mm, diameter 20.0mm, 99%; Nickel, rod, 200mm, diameter 6.35mm, 99%; Nickel, rod, 500mm, diameter 12.0mm, 99%; Nickel, rod, 500mm, diameter 20.0mm, 99%; Nickel, rod, 500mm, diameter 6.35mm, 99%; Nickel foil, 0.5mm (0.02in) thick, annealed; Nickel isotopic standard, NIST(R) SRM(R) 986; Nickel wire, 0.25mm (0.01in) dia, annealed; Nickel wire, 1.6mm (0.063in) dia, annealed; Nickel, foil, thickness 0.125 mm, >=99.9%; Nickel, rod, 1000mm, diameter 12.0mm, 99%; Nickel, rod, 1000mm, diameter 20.0mm, 99%; Nickel, rod, 1000mm, diameter 6.35mm, 99%; Nickel, rod, 50mm, diameter 16mm, 99.99+%; A838111; Nickel foil, 0.05mm (0.002in) thick, annealed; Nickel plating solution, electroless, ammonia free; Nickel Thinfoil, 0.0025mm (0.0001in) thick; Nickel wire, 1.0mm (0.04in) dia, Puratronic ; Nickel, foil, 50x50mm, thickness 1.6mm, 99%; Nickel, rod, 100mm, diameter 16mm, 99.99+%; Nickel, rod, 200mm, diameter 16mm, 99.99+%; Nickel, rod, 50mm, diameter 25.4mm, 99.98%; Nickel, rod, 50mm, diameter 3.3mm, 99.99+%; Nickel, rod, 50mm, diameter 5.0mm, 99.99+%; Nickel foil, 0.127mm (0.005in) thick, annealed; Nickel foil, 0.787mm (0.031in) thick, annealed; Nickel Thinfoil, 0.0125mm (0.000492in) thick; Nickel, foil, 100x100mm, thickness 1.6mm, 99%; Nickel, foil, 150x150mm, thickness 1.6mm, 99%; Nickel, foil, 1m coil, thickness 0.02mm, 99.9%; Nickel, foil, 1m coil, thickness 0.03mm, 99.9%; Nickel, foil, 1m coil, thickness 0.05mm, 99.9%; Nickel, foil, 2m coil, thickness 0.02mm, 99.9%; Nickel, foil, 2m coil, thickness 0.03mm, 99.9%; Nickel, foil, 2m coil, thickness 0.05mm, 99.9%; Nickel, foil, 300x300mm, thickness 1.6mm, 99%; Nickel, pellets, 20g, max. size 5mm, 99.99+%; Nickel, pellets, 50g, max. size 5mm, 99.99+%; Nickel, powder, <1 mum, 99.8% trace metals basis; Nickel, rod, 100mm, diameter 1.5mm, 99.99+%; Nickel, rod, 100mm, diameter 12.7mm, 99.98%; Nickel, rod, 100mm, diameter 2.0mm, 99.99+%; Nickel, rod, 100mm, diameter 25.4mm, 99.98%; Nickel, rod, 100mm, diameter 3.3mm, 99.99+%; Nickel, rod, 100mm, diameter 5.0mm, 99.99+%; Nickel, rod, 200mm, diameter 1.5mm, 99.99+%; Nickel, rod, 200mm, diameter 12.7mm, 99.98%; Nickel, rod, 200mm, diameter 2.0mm, 99.99+%; Nickel, rod, 200mm, diameter 25.4mm, 99.98%; Nickel, rod, 200mm, diameter 3.3mm, 99.99+%; Nickel, rod, 200mm, diameter 5.0mm, 99.99+%; Nickel, rod, 500mm, diameter 1.5mm, 99.99+%; Nickel, rod, 500mm, diameter 12.7mm, 99.98%; Nickel, rod, 500mm, diameter 2.0mm, 99.99+%; Nickel, rod, 500mm, diameter 3.3mm, 99.99+%; Nickel, rod, 50mm, diameter 10.0mm, 99.99+%; Nickel, rod, 50mm, diameter 25.4mm, 99.99+%; Nickel Powder, 99.9+% (metal basis, O<10%) Nano; Nickel, foil, 1m coil, thickness 0.015mm, 99.9%; Nickel, foil, 1m coil, thickness 0.01mm, 99.95%; Nickel, foil, 1m coil, thickness 0.025mm, 99.9%; Nickel, foil, 1m coil, thickness 0.038mm, 99.9%; Nickel, foil, 2m coil, thickness 0.015mm, 99.9%; Nickel, foil, 2m coil, thickness 0.01mm, 99.95%; Nickel, foil, 2m coil, thickness 0.025mm, 99.9%; Nickel, foil, 2m coil, thickness 0.038mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 4mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 5m coil, thickness 0.01mm, 99.95%; Nickel, foil, 6mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 6mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 6mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 8mm disks, thickness 0.05mm, 99.9%; Nickel, pellets, 100g, max. size 10mm, 99.99+%; Nickel, pellets, 100g, max. size 10mm, 99.999%; Nickel, pellets, 100g, max. size 15mm, 99.99+%; Nickel, pellets, 100g, max. size 20mm, 99.99+%; Nickel, pellets, 100g, max. size 5mm, 99.99+%; Nickel, pellets, 20g, max. size 10mm, 99.99+%; Nickel, pellets, 20g, max. size 10mm, 99.999%; Nickel, pellets, 20g, max. size 15mm, 99.99+%; Nickel, pellets, 20g, max. size 20mm, 99.99+%; Nickel, pellets, 50g, max. size 10mm, 99.99+%; Nickel, pellets, 50g, max. size 10mm, 99.999%; Nickel, pellets, 50g, max. size 15mm, 99.99+%; Nickel, pellets, 50g, max. size 20mm, 99.99+%; Nickel, powder, <50 mum, 99.7% trace metals basis; Nickel, rod, 1000mm, diameter 1.5mm, 99.99+%; Nickel, rod, 1000mm, diameter 12.7mm, 99.98%; Nickel, rod, 1000mm, diameter 2.0mm, 99.99+%; Nickel, rod, 100mm, diameter 10.0mm, 99.99+%; Nickel, rod, 100mm, diameter 2.0mm, annealed, 99%; Nickel, rod, 100mm, diameter 25.4mm, 99.99+%; Nickel, rod, 200mm, diameter 10.0mm, 99.99+%; Nickel, rod, 200mm, diameter 2.0mm, annealed, 99%; Nickel, rod, 200mm, diameter 25.4mm, 99.99+%; Nickel, rod, 500mm, diameter 2.0mm, annealed, 99%; Q27113549; Nickel, foil, 0.5m coil, thickness 0.015mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.01mm, 99.95%; Nickel, foil, 0.5m coil, thickness 0.025mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.02mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.038mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.03mm, 99.9%; Nickel, foil, 0.5m coil, thickness 0.05mm, 99.9%; Nickel, foil, 10m coil, thickness 0.01mm, 99.95%; Nickel, foil, 10mm disks, thickness 0.015mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.01mm, 99.95%; Nickel, foil, 10mm disks, thickness 0.025mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.02mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.038mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.03mm, 99.9%; Nickel, foil, 10mm disks, thickness 0.05mm, 99.9%; Nickel, foil, 15mm disks, thickness 0.015mm, 99.9%; Nickel, foil, 15mm disks, thickness 0.01mm, 99.95%; Nickel, foil, 15mm disks, thickness 0.025mm, 99.9%; Nickel"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	58.693	0	Ni	0	0	.	1	0	0	[Ni]	InChI=1S/Ni	PXHVJJICTQNCMI-UHFFFAOYSA-N
DG01777	Oxygen	977	"7782-44-7; O; Oxygen; Molecular oxygen; oxygen molecule; Dioxygen; Pure oxygen; Oxygenium; Liquid oxygen; Hyperoxia; Sauerstoff; Oxygen-16; Oxygen (liquid); Oxygen, liquified; Oxygenium medicinale; oxygene; CCRIS 1228; HSDB 5054; O2; UN1072; UN1073; UNII-S88TT14065; Peroxide Ion; CHEBI:15379; S88TT14065; LOX; E948; E-948; Oxygene [French]; Oxigeno [Spanish]; OXY; Compressed oxygen; Oxygen [USP]; EINECS 231-956-9; dioxidanediyl; dioxygene; Disauerstoff; oxygen monoxide; Peroxy radical; singlet dioxygen; triplet dioxygen; Oxygen USP; Oxygen, compressed; Oxygen 93 percent; singlet molecular oxygen; triplet molecular oxygen; Oxygen (8CI,9CI); Oxygen (JP17/USP); dioxygen(2.) (triplet); Oxygen, >=99.6%; Oxygen, compressed [UN1072] [Nonflammable gas]; RNS60 COMPONENT OXYGEN; [OO]; INS NO.948; Oxygen, >=99.998%; CHEMBL1234886; DTXSID2037681; RNS-60 COMPONENT OXYGEN; CHEBI:26689; CHEBI:27140; INS-948; Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]; DB09140; UN 1072; UN 1073; Oxygen, Messer(R) CANGas, 99.999%; DS-014940; (1)O2; E 948; C00007; D00003; O2(2.); Oxygen, refrigerated liquid (cryogenic liquid); Oxygen, compressed [UN1072] [Nonflammable gas]; (O2)(..); (O2)(2.); Q5203615; UNII-K21NZZ5Y0B component MYMOFIZGZYHOMD-UHFFFAOYSA-N; AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, refill pack for 37428; AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, test set with color comparator; 4-Chloro-3-(chloro-difluoro-methyl)-4,4-difluoro-1-thiophen-2-yl-but-2-en-2-one; Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	31.999	0	O2	34.1	0	-1.1	2	0	2	O=O	InChI=1S/O2/c1-2	MYMOFIZGZYHOMD-UHFFFAOYSA-N
DG01778	Acetaminophen	1983	"Acetaminophen; Paracetamol; 4-Acetamidophenol; 103-90-2; N-(4-Hydroxyphenyl)acetamide; APAP; Tylenol; Panadol; Acetaminofen; Datril; N-Acetyl-p-aminophenol; p-Hydroxyacetanilide; 4'-Hydroxyacetanilide; p-Acetamidophenol; Algotropyl; Lonarid; Naprinol; Acamol; Acenol; Anelix; Multin; p-Acetaminophenol; Abensanil; Acetagesic; Acetalgin; Clixodyne; Doliprane; Gelocatil; Injectapap; Liquagesic; Pyrinazine; Servigesic; Alvedon; Anaflon; Apamide; Dymadon; Febridol; Febrilix; Febrolin; Finimal; Homoolan; Lestemp; Paracet; Tabalgin; Tralgon; Tussapap; Valadol; Valgesic; Alpiny; Amadil; Anhiba; Calpol; Dirox; Eneril; Fendon; Hedex; Lyteca; Pacemo; Panets; Parmol; Tapar; Tempra; Paracetamolo; Biocetamol; Dolprone; Momentum; Ortensan; Paldesic; Vermidon; Banesin; Captin; Disprol; Enelfa; Neopap; Salzone; Exdol; p-Acetylaminophenol; Acetamide, N-(4-hydroxyphenyl)-; Febro-Gesic; NEBS; Paracetamolum; Dafalgan; Dolgesic; Elixodyne; Febrectal; Tempanal; Abenol; Apacet; Apadon; Cetadol; Fensum; Janupap; Minoset; Napafen; Neodol; Nobedon; Pacemol; Panodil; Parapan; Pedric; Phendon; Rounox; Suppap; Korum; Pinex; Temlo; 4-(Acetylamino)phenol; Ben-u-ron; Dial-A-Gesic; Anacin-3; Calmanticold; Codoliprane; Demogripal; Dolegrippin; Doloreduct; Dristancito; Duracetamol; Eu-Med; Grippostad; Gynospasmine; Medocodene; Paedialgon; Paracetanol; Parakapton; Pediapirin; Phenipirin; Phogoglandin; Predualito; Sanicopyrine; Scentalgyl; Sunetheton; Tachiprina; Termalgine; Treuphadol; Abrolet; Acertol; Acetamol; Acetofen; Afebrin; Afebryl; Aferadol; Algesidal; Algomol; Alpinyl; Analter; Antidol; Apitrelal; Atralidon; Babikan; Bacetamol; Cadafen; Calapol; Causalon; Cefalex; Codabrol; Codalgin; Codapane; Codicet; Codisal; Cofamol; Cosutone; Cuponol; Curadon; Custodial; Darocet; Daygrip; Deminofen; Democyl; Desfebre; Dimindol; Dolefin; Dolofugin; Dolorfug; Dolorstop; Dolotec; Dorocoff; Dularin; Durapan; Ecosetol; Excipain; Fanalgic; Farmadol; Febranine; Febrectol; Febricet; Febrinol; Fepanil; Finiweh; Fluparmol; Geluprane; Ildamol; Inalgex; Infadrops; Kataprin; Labamol; Lekadol; Lemgrip; Lupocet; Magnidol; Malidens; Maxadol; Mexalen; Minafen; Miralgin; Nealgyl; Neodolito; Neotrend; Neuridon; Nodolex; Oralgan; Oxycocet; Pacimol; Panacete; Panadeine; Panadiene; Panaleve; Panamax; Panasorbe; Panofen; Pantalgin; Paracemol; Paracenol; Paracetol; Paracin; Paracod; Paracodol; Parador; Paradrops; Paralen; Paralief; Paralink; Paralyoc; Paramol; Paramolan; Paranox; Parasedol; Parasin; Paraspen; Parcetol; Parogal; Pediatrix; Piramin; Pirinasol; Polmofen; Predimol; Prontina; Puernol; Pulmofen; Pyrigesic; Pyromed; Remedol; Rivalgyl; Rubophen; Rupemol; Sanicet; Schmerzex; Sedalito; Semolacin; Seskamol; Setakop; Setamol; Sifenol; Sinaspril; Sinedol; Stanback; Stopain; Supofen; Tazamol; Termacet; Termalgin; Termofren; Titralgan; Tricoton; Upsanol; Utragin; Veralgina; Viruflu; Vivimed; Zatinol; Abrol; Algina; Anapap; Andox; Arfen; Asetam; Asomal; Aspac; Asplin; Benmyo; Curpol; Dhamol; Dolcor; Dolko; Dresan; Dypap; Febrex; Febrin; Lemsip; Malgis; Oltyl; Paceco; Pacet; Paedol; Painex; Pamol; Panex; Parake; Paroma; Plicet; Prodol; Reliv; Scanol; Setol; Sinmol; Tiffy; Tylex; Tylol; Tymol; Verpol; Volpan; Zolben; NeoCitran; NilnOcen; Nina; RubieMol; Vips; Supadol mono; Treupel mon; Bickie-mol; Fortalidon P; Gattaphen T; Gripin Bebe; Influbene N; Lonarid Mono; Lyteca Syrup; Panadeine Co; Dymadon Co; Toximer P; Treupel N; Accu-Tap; 4-Acetaminophenol; Helon N; Malex N; Spalt N; Tylex CD; N-Acetyl-4-aminophenol; SK-Apap; Paracetamole; Conacetol; Darvocet; Empracet; Panasorb; Perfalgan; A-Per; Apamid; Ofirmev; Parelan; Prompt; Vicodin; Fevor; Freka-cetamol; Codisal Forte; Croix Blanche; Dolorol Forte; Dymadon Forte; Junior Disprol; Kinder Finimal; Liquigesic Co; Mono Praecimed; Percocet-Demi; Perdolan Mono; Rockamol Plus; Viclor Richet; Actifed Plus; Kratofin simplex; Neo-Fepramol; Paracetamol AL; Paracetamol BC; Paracetamol PB; Acetanilide, 4'-hydroxy-; Claradol Codeine; Geralgine-P; Melabon Infantil; Migraleve Yellow; Paracetamol Saar; Pyregesic-C; Anti-Algos; Para-Suppo; Pasolind N; Supramol-M; No-Febril; Panado-Co; Para-Tabs; Paracetamol Hexal; Paracetamol Raffo; Paracetamol Rosch; Paracetamol Stada; Dol-Stop; Anadin dla dzieci; p-Hydroxyphenolacetamide; Percocet-5; Cod-Acamol Forte; Contra-Schmerz P; Hy-Phen; Medinol Paediatric; Paracetamol Basics; Panado-Co Caplets; Paracetamol von ct; Pe-Tam; Paracetamol Fecofar; Paracetamol Harkley; Paracetamol Heumann; Paracetamol Nycomed; Codral Pain Relief; Paracetamol Hanseler; Paracetamol Winthrop; 4-Hydroxyacetanilide; Phenaphen W/Codeine; Spalt fur die nacht; A.F. Anacin; Capital with Codeine; Paracetamol Genericon; Anexsia; Demilets; Endecon; Intensin; Naldegesic; Propacet; Resfenol; Theraflu; Wygesic; Paracetamol Ratiopharm; Coricidin Sinus; Paracetamol Italfarmaco; Sudafed Sinus; Coricidin D; Paracetamol DC; Quiet World; Paracetamol Antipanin P; St Joseph Aspirin-Free; New Cortal for Children; INFANTS' FEVERALL; St. Joseph Fever Reducer; Midol Teen Formula; Paracetamol Dr. Schmidgall; Acetamide, N-(p-hydroxyphenyl)-; Aspirin-Free Anacin; Children's Tylenol Chewable; NCI-C55801; PCM Paracetamol Lichtenstein; Tylenol Allergy Sinus; p-(Acetylamino)phenol; Rhinex D-Lay Tablets; acetaminophene; Midol Regular Strength; Paracetamol SmithKline Beecham; Scherzatabletten Rezeptur 534; Efferalgan; Percogesic with Codeine; 4-Hydroxyanilid kyseliny octove; Bayer Select Head Cold; Bayer Select Allergy-Sinus; Bayer Select Headache Pain; Dristan Cold No Drowsiness; Prestwick_13; St Joseph Aspirin-Free for Children; UNII-362O9ITL9D; 4-acetylaminophenol; Children's Acetaminophen Elixir Drops; MFCD00002328; Children's Acetaminophen Oral Solution; Midol PM Night Time Formula; Triaminic Sore Throat Formula; p-hydroxy-acetanilid; N-(4-hydroxyphenyl)ethanamide; Bayer Select Sinus Pain Relief; Phenol, p-acetamido-; Sine-Off Sinus Medicine Caplets; CHEBI:46195; Roxicet 5/500; Tocris-1706; N-acetyl-para-aminophenol; 4-(N-Acetylamino)phenol; Acetaminophen (4-hydroxyacetanilide); Bayer Select Menstrual Multi-Symptom; Acetaco; n-acetyl-4-hydroxyaniline; St. Joseph Cold Tablets for Children; CHEMBL112; N-(4-Hydroxyphenyl)acetamide (Tylenol); N-(4-hydroxyphenyl)-acetamide; 362O9ITL9D; Aminofen; DTXSID2020006; Atasol; Duaneo; Duorol; component of Dialog; component of Dilone; Fever All; NSC-3991; component of Endecon; component of Percocet; NSC-109028; component of Phenaphen; TYL; component of Percogesic; DSSTox_CID_6; NCGC00016361-07; Acetominophen; Actamin; CAS-103-90-2; Pasolind; Redutemp; Robigesic; Valorin; Aceta Elixir; Dafalgan Codeine; Jin Gang; WLN: QR DMV1; DSSTox_RID_75318; DSSTox_GSID_20006; component of Hycomine Compound; Acetavance; Paracetamolo [Italian]; Calonal; Flexsure; Acenol (pharmaceutical); N-(4-Hydroxyphenyl)acetanilide; Drixoral Sinus; Aceta Tablets; Paracetamol [INN:BAN]; Valorin Extra; CCRIS 3; Snaplets-FR; Oraphen-PD; Phenaphen Caplets; Paracetamolum [INN-Latin]; Tylenol (caplet); Tylenol (geltab); Tylenol 8-Hour; SMR000112065; Tavist Allergy/Sinus/Headache; Dapa X-S; Drixoral Cold & Flu; HSDB 3001; SR-01000597517; EINECS 203-157-5; 222 AF; Acetaminophen [USP:JAN]; paracetamol (acetaminophen); NSC 109028; acetominophene; 4-Hydroxyanilid kyseliny octove [Czech]; Children's Acetaminophen Elixir Solution; Claratal; Daphalgan; Resprin; Apacet Capsules; Atasol Caplets; Atasol Tablets; Tempra Caplets; Tylenol Caplets; Tylenol Elixir; Tylenol Gelcaps; Tylenol Tablets; Actamin Extra; Actamin Super; Aminofen Max; ANEXSIA 10/660; Apacet Elixir; Atasol Drops; Exdol Strong; p-Acetoaminophen; Tempra Drops; Tempra Syrup; Tylenol Drops; alpha-Per; Citramon P; Excedrin Caplets; Dial-alpha-gesic; Apo-Acetaminophen; 4-acetominophenol; Genebs X-Tra; Paracetamol;Tylenol; 4-acetamido phenol; 4-acetamido-phenol; Tempra D.S; APAP, Paracetamol; p-hydroxyacetoanilide; Paracetamol (INN); Tylenol (TN); Supac (Salt/Mix); Tylox (Salt/Mix); Zydone (Salt/Mix); Atasol Forte Caplets; Atasol Forte Tablets; Atasol Oral Solution; para-acetylaminophenol; Anexsia (Salt/Mix); Endecon (Salt/Mix); Sinubid (Salt/Mix); Talacen (Salt/Mix); Vicodin (Salt/Mix); Wygesic (Salt/Mix); Acetaminophen Uniserts; Datril Extra-Strength; Tylenol Infants Drops; Demilets (Salt/Mix); Empracet (Salt/Mix); Intensin (Salt/Mix); Propacet (Salt/Mix); Suppap-120; Suppap-325; Suppap-650; Panadol Extra Strength; TheraFlu (Salt/Mix); Coricidin (Salt/Mix); Liquiprin (Salt/Mix); Hy-Phen (Salt/Mix); IV-APAP; phenol derivative, 11; Spectrum_000016; Tempra Chewable Tablets; Naldegesic (Salt/Mix); Actimol Chewable Tablets; Feverall Junior Strength; Darvocet-N (Salt/Mix); Anacin-3 Extra Strength; Liquiprin Infants' Drops; N-acetyl para aminophenol; Prestwick0_000868; Prestwick1_000868; Prestwick2_000868; Prestwick3_000868; Spectrum2_000085; Spectrum3_000283; Spectrum4_000140; Spectrum5_000736; Coricidin D (Salt/Mix); Quiet World (Salt/Mix); Genapap Children's Elixir; Tylenol Children's Elixir; 4-Acetamidophenol, 98%; Actifed Plus (Salt/Mix); Epitope ID:117710; Genapap Children's Tablets; Sudafed Sinus (Salt/Mix); EC 203-157-5; Actimol Infants' Suspension; Drixoral Sinus (Salt/Mix); Liquiprin Children's Elixir; SCHEMBL3480; Acetaminophen (JP17/USP); Coricidin Sinus (Salt/Mix); N-(4-hydroxyfenyl)ethanamid; BSPBio_000915; BSPBio_001786; DDS-06A; KBioGR_000560; KBioSS_000356; 4-13-00-01091 (Beilstein Handbook Reference); Actimol Children's Suspension; Apacet Extra Strength Caplets; Apacet Extra Strength Tablets; Aspirin-Free Excedrin Caplets; Genebs Extra Strength Caplets; MLS001146925; MLS001331684; MLS002154041; BIDD:GT0005; DivK1c_000660; SPECTRUM1500101; Genapap Extra Strength Caplets; Genapap Extra Strength Tablets; SPBio_000010; SPBio_002836; Tapanol Extra Strength Caplets; Tapanol Extra Strength Tablets; Tylenol Extra Strength Caplets; Tylenol Extra Strength Gelcaps; Tylenol Extra Strength Tablets; Actimol Junior Strength Caplets; Apacet Regular Strength Tablets; BPBio1_001007; Excedrin Extra Strength Caplets; Genebs Regular Strength Tablets; GTPL5239; Panadol Junior Strength Caplets; SGCUT00014; Tylenol Junior Strength Caplets; Midol Teen Formula (Salt/Mix); Genapap Regular Strength Tablets; Panadol Maximum Strength Caplets; Panadol Maximum Strength Tablets; SCHEMBL19474893; Tylenol Regular Strength Caplets; Tylenol Regular Strength Tablets; Aspirin-Free Anacin (Salt/Mix); BDBM26197; HMS502A22; KBio1_000660; KBio2_000356; KBio2_002924; KBio2_005492; KBio3_001286; NSC3991; Tylenol Arthritis Extended Relief; Acetaminophen, analytical standard; NINDS_000660; Tylenol Infants' Suspension Drops; BCPP000441; Drixoral Cold & Flu (Salt/Mix); HMS1570N17; HMS1920A03; HMS2091G03; HMS2097N17; HMS2269G20; HMS3268A10; "	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:46195	DB00316	DR0037	DR01006	151.16	1	C8H9NO2	49.3	139	0.5	11	2	2	CC(=O)NC1=CC=C(C=C1)O	"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)"	RZVAJINKPMORJF-UHFFFAOYSA-N
DG01779	Arecoline	2230	"Arecoline; 63-75-2; Arecolin; Arecaline; Arecholine; Methylarecaiden; Methylarecaidin; Arekolin; Arecoline base; Arecaidine methyl ester; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester; methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; Methyl N-methyltetrahydronicotinate; N-Methyltetrahydronicotinic acid, methyl ester; Methyl 1,2,5,6-tetrahydro-1-methylnicotinate; UNII-4ALN5933BH; NSC 56321; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; Methyl N-methyl-1,2,5,6-tetrahydronicotinate; 1,2,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER; 1-Methyl-delta(sup 3,4)tetrahydro-3-pyridinecarboxylate; 4ALN5933BH; CHEBI:2814; 63-75-2 (free); 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl ester; NSC-56321; NCGC00015075-04; Arecholin; 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester; DSSTox_CID_2617; DSSTox_RID_76661; DSSTox_GSID_22617; N-Methyl-.delta.-tetrahydronicotinic acid methyl ester; methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate; N-Methyltetrahydropyridine-.beta.-carboxylic acid methyl ester; MLS000028840; Arecaidine methyl ester;Arecoline base;Methyl arecaidin; Methylarecaidine; NSC56321; CAS-63-75-2; CCRIS 7688; SMR000058258; EINECS 200-565-5; BRN 0123045; Methylarecaidine; arecoline;hydrobromide; Spectrum_000055; N-Methyltetrahydropyridine-beta-carboxylic acid methyl ester; Prestwick0_000402; Prestwick1_000402; Prestwick2_000402; Prestwick3_000402; Spectrum2_000051; Spectrum3_001387; Spectrum4_000810; Spectrum5_001316; Lopac-A-6134; cid_9301; CHEMBL7303; Lopac0_000049; SCHEMBL44065; BSPBio_000324; BSPBio_002974; GTPL296; KBioGR_001299; KBioSS_000435; DivK1c_000810; SPBio_000201; SPBio_002263; BPBio1_000358; MEGxp0_001891; DTXSID3022617; ACon1_002372; BDBM46858; KBio1_000810; KBio2_000435; KBio2_003003; KBio2_005571; KBio3_002194; pyranosyl)- -D-galactopyranoside; Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate; NINDS_000810; WLN: T6N CUTJ A1 CVO1; ALBB-035732; NSC56321; Tox21_110079; 7928AF; BBL036229; ZINC52541469; AKOS000520752; Tox21_110079_1; CCG-204145; DB04365; MCULE-7085698770; SB54186; SDCCGMLS-0066647.P001; SDCCGSBI-0050038.P004; IDI1_000810; NCGC00015075-01; NCGC00015075-02; NCGC00015075-03; NCGC00015075-05; NCGC00015075-06; NCGC00015075-07; NCGC00015075-10; NCGC00015075-19; NCGC00162053-01; NCGC00162053-02; NCGC00162053-03; AC-34025; CAS-300-08-3; SBI-0050038.P003; Methyl N-methyl-1,5,6-tetrahydronicotinate; N-Methyl-beta -carboxylic acid methyl ester; FT-0622470; Methyl 1,5,6-tetrahydro-1-methylnicotinate; A13071; AB00053580_08; AB00053580_09; Methyl 1,2,5, 6-tetrahydro-1-methylnicotinate; Methyl N-methyl-1,2,5, 6-tetrahydronicotinate; A820142; L000795; Q423515; n-methyltetrahydronicotinicacidmethylesterhydrobromide; SR-01000075307-9; BRD-K88646909-004-05-5; BRD-K88646909-004-06-3; BRD-K88646909-004-10-5; 1,5,6-Tetrahydro-1-methylnicotinic acid, methyl ester; Nicotinic acid,2,5,6-tetrahydro-1-methyl-, methyl ester; Methyl 1-methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylate #; 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl-, methyl ester; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide; 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid, methyl ester; 1-Methyl-1,2,5,6-tertrahydro-pyridine-3-carboxylicacid methyl ester; 4-Nitrophenyl 2-Acetamido-2-deoxy-(6-O-2-acetamido-2-deoxy- -D-gluco-; 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester;hydrobromide"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	CHEBI:2814	DB04365	.	.	155.19	2	C8H13NO2	29.5	187	0.3	11	0	3	CN1CCC=C(C1)C(=O)OC	"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3"	HJJPJSXJAXAIPN-UHFFFAOYSA-N
DG01780	Benzpyrene	2336	"Benzo[a]pyrene; 50-32-8; 3,4-Benzopyrene; benzo[pqr]tetraphene; BENZO(A)PYRENE; 3,4-Benzpyrene; benzo[def]chrysene; Benzpyrene; 6,7-Benzopyrene; Benz[a]pyrene; 3,4-BP; 3,4-Benz[a]pyrene; 3,4-Benzopirene; 3,4-Benzpyren; Benzo[d,e,f]chrysene; B[a]p; Benz(a)pyrene; (B(a)P); B(a)P; BP; 3,4 Benzpyrene; RCRA waste number U022; 3,4-Benz(a)pyrene; Benzo(d,e,f)chrysene; NSC 21914; Benzo[A]-Pyrene; Benzo(def)chrysene; UNII-3417WMA06D; CHEBI:29865; CHEMBL31184; 3417WMA06D; MFCD00003602; 6699-27-0; 3,4-Benzo(a)pyrene; 3,4-Benzpyren [German]; CCRIS 76; 3,4 Benzopyrene; 3,4-benzylpyrene; 3,4-Benzopirene [Italian]; HSDB 2554; Benzo[a]pyrene solution; Benzo[a]pyrene (BaP); EINECS 200-028-5; RCRA waste no. U022; Benzo(a)pyrene radical cation; AI3-50461; 3,4-Benzypyrene; Benzo(a)pyrene, radical ion(1+); Benzo(a)pyrene, radical ion(1-); Benzo[d,f]chrysene; Benzo(a)pyrene, labeled with tritium; Benzo Pyrene[BAP]; Benzo(3,4)pyrene, radical ion(1+); Spectrum_001871; Coal tar pitch volatiles: benzo(a)pyrene; SpecPlus_000953; DSSTox_CID_139; Spectrum2_001081; Spectrum3_001695; Spectrum4_000609; Spectrum5_001824; Epitope ID:117721; Benzo(a)pyrene [Polycyclic aromatic compounds]; DSSTox_RID_75392; Benzo(a)pyrene [Polycyclic aromatic hydrocarbons]; DSSTox_GSID_20139; BSPBio_003250; KBioGR_001138; KBioSS_002390; MLS002695983; BIDD:ER0497; DivK1c_007049; SPBio_001122; 3,4-Benzopyrene (carcinogen); DTXSID2020139; KBio1_001993; KBio2_002385; KBio2_004953; KBio2_007521; KBio3_002470; HMS3089C04; HMS3746C17; NSC21914; ZINC1530818; Benzo[a]pyrene, >=96% (HPLC); Tox21_200710; BDBM50137506; CCG-39759; NSC-21914; AKOS015907666; AM61580; CS-7789; MCULE-1109963029; CAS-50-32-8; WLN: L D6 B6666 2AB TJ; NCGC00178185-01; NCGC00178185-02; NCGC00258264-01; 34505-58-3; 42299-33-2; NCI60_001824; SMR000393676; SY048151; 3,4-Benzopyrene (purified by sublimation); Benzo[a]pyrene 1000 microg/mL in Acetone; DB-071166; HY-107377; B0085; Benzo[a]pyrene 10 microg/mL in Acetonitrile; FT-0614185; W6563; Benzo[a]pyrene 100 microg/mL in Acetonitrile; Benzo[a]pyrene 100 microg/mL in Cyclohexane; C07535; J10073; A828066; A828067; Benzo[a]pyrene, vial of 1 g, analytical standard; Q306051; BRD-K09668667-001-02-0; Benzo[a]pyrene, certified reference material, TraceCERT(R); UNII-0TNN3Q0D4D component FMMWHPNWAFZXNH-UHFFFAOYSA-N; Benzo[a]pyrene, analytical standard, for environmental analysis; Benzo[a]pyrene solution, 100 mug/mL in cyclohexane, analytical standard; Benzo[a]pyrene solution, certified reference material, 100 mug/mL in methylene chloride; Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 1000 mug/mL in acetone; Benzo[a]pyrene solution, certified reference material, TraceCERT(R), 200 mug/mL in methylene chloride"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	DR01618	252.3	0	C20H12	0	372	6	20	0	0	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3	InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H	FMMWHPNWAFZXNH-UHFFFAOYSA-N
DG01781	Bupivacaine	2474	"Bupivacaine; 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2180-92-9; DL-Bupivacaine; Marcaine; 38396-39-3; Bupivacaina; Anekain; Sensorcaine; Carbostesin; (+-)-Bupivacaine; Bupivacainum; 1-Butyl-2',6'-pipecoloxylidide; Exparel; Bupivacainum [INN-Latin]; Bupivacaina [INN-Spanish]; dl-1-Butyl-2',6'-pipecoloxylidide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide; AH 250; Win 11318; Bloqueina; (+/-)-Bupivacaine; 2',6'-Pipecoloxylidide, 1-butyl-; 1-butyl-N-(2,6-dimethylphenyl)-piperidine-2-carboxamide; Marcain; C18H28N2O; SKY0402; CHEBI:77431; Xaracoll; LAC-43; cBupivacaine; Bupivacaine HCL KIT; Bucaine; bupivacaine base; (R)-Bupivacaine HCl; Bucaine (TN); DUR-843; EINECS 218-553-3; EINECS 253-911-2; 14252-80-3 (HCl); 73360-54-0 (HCl.H2O); Posimir; Bupivacaine [USAN:INN:BAN]; HSDB 7790; racemic bupivacaine; (RS)-bupivacaine; Bupivacaine liposome; SKY 0402; Exparel (TN); Liposomal bupivacaine; Bupivacaine-[13C]; Spectrum_001524; (1)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; Bupivacaine liposome injectable suspension; Prestwick0_000305; Prestwick1_000305; Prestwick2_000305; Prestwick3_000305; Spectrum2_001589; Spectrum3_000974; Spectrum4_001098; Spectrum5_001483; (.+/-.)-1-Butyl-2',6'-pipecoloxylidide; (.+/-.)-Bupivacaine; Bupivacaine (USAN/INN); LAC-43 (Salt/Mix); Epitope ID:122662; Marcaine spinal (Salt/Mix); CHEMBL1098; SCHEMBL25438; BSPBio_000270; BSPBio_002607; KBioGR_001516; KBioSS_002004; DivK1c_000758; SPBio_001558; SPBio_002489; BPBio1_000298; CHEBI:3215; GTPL2397; LIQ865; DTXSID2022703; KBio1_000758; KBio2_002004; KBio2_004572; KBio2_007140; KBio3_001827; LIQ-865; dl-1-Butyl-2,6-pipecoloxylidide; NINDS_000758; AH250; HMS2090F12; HMS3428P06; Marcaine hydrochloride (Salt/Mix); 1217442-06-2; 3-Ethyl-2-methylbenzoxazoliumiodide; BCP12242; BCP21825; HY-B0405; SKY-0402; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+-)-; AH-250; BDBM50350790; MFCD00243007; MFCD00941462; STL484283; AKOS001637202; AKOS016842516; AC-2096; BS-5224; CS-W023182; DB00297; MCULE-2286784276; IDI1_000758; NCGC00178579-01; NCGC00178579-02; BB166160; R962; SBI-0051846.P002; 18010-40-7 (HCl); DB-119016; AB00053674; FT-0623286; FT-0660567; FT-0699781; FT-0771900; C07529; D07552; J10217; Ropivacaine hydrochloride impurity, bupivacaine-; AB00053674-08; AB00053674-09; AB00053674_10; AB00053674_11; 180B929; A873847; L000695; Q422806; Q-100271; BRD-A01636364-003-05-2; BRD-A01636364-003-08-6; 1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboximidic acid; (plusmn)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (+/-)-; 2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, (.+/-.)-; 119427-31-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77431	.	.	.	288.4	5	C18H28N2O	32.299	321	3.4	21	1	2	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)"	LEBVLXFERQHONN-UHFFFAOYSA-N
DG01782	Ketamine	3821	"Ketamine; dl-Ketamine; Ketaject; Ketalar; CI 581 base; Special K; (+-)-Ketamine; Ketaminum; CLSTA 20; 6740-88-1; Ketanest; Ketalar base; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; (+/-)-Ketamine; KETAMINE HCL; 2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone; Ketolar; 2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone; NSC 70151; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one; CHEMBL742; CHEBI:6121; Calypsol; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone; 2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-; NSC-70151; 100477-72-3; DEA No. 7285; NCGC00159480-02; NCGC00159480-03; Cetamina; Ketamine Base; Ketamine [INN:BAN]; DSSTox_CID_3187; Ketaminum [INN-Latin]; Cetamina [INN-Spanish]; DSSTox_RID_76912; Special K [street name]; DSSTox_GSID_23187; narketan; Ketoject; Tekam; (+)-Ketamine; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+-)- (9CI); Ketamine (INN); PMI-150; CAS-6740-88-1; Tekam (TN); EINECS 229-804-1; (+/-)-2-(o-Chlorophenyl)-2-(methylamino)cyclohexanone; BRN 2216965; ketamina; Ursotamin; Vetaket; Anaket v; HSDB 2180; Clorketam 1000; Ketasol 100; Imalgene 1000; Ketolar (Salt/Mix); Vetalar (Salt/Mix); Kalipsol (Salt/Mix); Ketanest (Salt/Mix); Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-; (.+/-.)-Ketamine; EC 229-804-1; Cyclohexanone, (.+-.)-; SCHEMBL16103; MLS001331674; DivK1c_000217; cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-; GTPL4233; (+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone; DTXSID8023187; SCHEMBL17084881; KBio1_000217; NINDS_000217; HMS2272G05; NSC70151; Tox21_111703; Tox21_111704; BDBM50044140; DB01221; MCULE-4905246871; IDI1_000217; SMR000238141; C07525; D08098; Q243547; 2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone #; J-505587; (.+/-.)-2-(O-Chlorophenyl)-2-(methylamino)cyclohexanone; 2-(2-Chloro-phenyl)-2-methylamino-cyclohexanone(Ketamine); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (9CI); Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (+/-)-; Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (.+/-.)-; Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+/-)- (8CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6121	DB01221	DR0903	DR00685	237.72	2	C13H16ClNO	29.1	269	2.2	16	1	2	CNC1(CCCCC1=O)C2=CC=CC=C2Cl	"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3"	YQEZLKZALYSWHR-UHFFFAOYSA-N
DG01783	Pioglitazone	4829	"Pioglitazone; 111025-46-8; Actos; Glustin; 105355-27-9; Zactos; Pioglitazona; Pioglitazonum; Pioglitazonum [INN-Latin]; Pioglitazona [INN-Spanish]; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione; Duetact; U 72107; AD-4833; 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; CHEBI:8228; Pioglitazone (Actos); 105390-47-4; 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione; Actos (TN); 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione; 5-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]BENZYL]-2,4-THIAZOLIDINEDIONE; U-72107; 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-; 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione; MFCD00865504; Pioglitazone [BAN:INN]; Pioglitazone [INN:BAN]; Piozone; Pioglu; [( inverted exclamation markA)-5-[[4-[2-(5-ethyl-2-pyridinyl) ethoxy] phenyl] methyl]-2,4-] thiazolidinedione monohydrochlorid; pioglitazone (INN); HSDB 7322; NSC-758876; DRX-065; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4-thiazolidinedione; SR-01000763737; Pioglitazone-[d4]; Pioglitazone- Bio-X; HS-0047; Spectrum_001623; Spectrum2_001679; Spectrum3_001002; Spectrum4_001130; Spectrum5_001480; Spectrum5_002067; SCHEMBL4121; BSPBio_002723; KBioGR_001619; KBioSS_002103; MLS006011848; SPBio_001897; GTPL2694; DTXSID3037129; KBio2_002103; KBio2_004671; KBio2_007239; KBio3_001943; HMS2089H14; HMS3651D09; HMS3712E16; HMS3884L10; Pharmakon1600-01504401; ACT02635; BCP26474; BBL029068; BDBM50103521; NSC758876; s2590; STL309607; STL373406; (+/-)-5-[p-[2-(ethyl-2-pyridyl)ethoxy]benzyl]-2,4-thiazolidinedione; AKOS015894953; AKOS022109420; AC-1021; CCG-220107; CS-1700; DB01132; MCULE-2346786634; SB17323; (+/-)-5-[[4-[2-(5-Ethyl-2-pyridinyl)-ethoxy]phenyl]methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-, (+-)-; NCGC00163128-01; NCGC00163128-02; NCGC00163128-03; NCGC00163128-04; NCGC00163128-05; NCGC00163128-06; NCGC00163128-07; BP164273; HY-13956; SMR002204015; SY017473; SBI-0206791.P001; DB-027350; FT-0601906; FT-0645030; SW197561-3; C07675; D08378; J10289; AB00698454-10; AB00698454_11; AB00698454_12; AB00698454_13; 355P279; A802277; Q417765; J-002506; J-516181; SR-01000763737-5; BRD-A48430263-003-02-4; BRD-A48430263-003-06-5; 5-[4-[2-(5-ethyl-2-pyridyl) ethoxy]benzyl]-2,4-thiazolidinedione; 5-[4-[2-(5-ethyl-2-pyridyl)eth-oxy]benzyl]-2,4-thiazolidinedione; 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2,4thiazolidinedione; 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-thiazolidine-2,4-dione; 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl-2,4-thiazolidinedione; 5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy] phenyl]methyl]-2,4-thiazolidinedione; (+/-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione; (5S)-5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione;Pioglitazone; 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]- (9CI); 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, (+/-)-; 5-[[4-[2-[(5-ethyl-2-pyridyl)]ethoxy]phenyl]methyl]thiazolidine- 2,4-dione; 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-4-hydroxy-1,3-thiazol-2(5H)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8228	DB01132	.	DR00518	356.4	7	C19H20N2O3S	93.6	466	3.8	25	1	5	CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3	"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)"	HYAFETHFCAUJAY-UHFFFAOYSA-N
DG01784	Urethane	5641	"Urethane; ETHYL CARBAMATE; 51-79-6; Urethan; Ethylurethane; Carbamic acid, ethyl ester; Carbamic acid ethyl ester; Leucethane; Pracarbamine; Ethyl urethane; Ethylcarbamate; Pracarbamin; Ethyl urethan; O-Ethylurethane; U-Compound; Aethylcarbamat; Aethylurethan; Ethylurethan; Leucothane; Estane 5703; Uretan; Uretano [DCIT]; Uretan etylowy; NSC 746; Aethylurethan [German]; Aethylcarbamat [German]; ethyl aminoformate; O-Ethyl urethane; Carbamidsaeure-aethylester; RCRA waste number U238; Ethyl ester of carbamic acid; Ethylester kyseliny karbaminove; X 41; MFCD00007966; UNII-3IN71E75Z5; A 11032; NH2COOC2H5; NSC746; CHEBI:17967; NSC-746; Urethane + ethanol (combination); 3IN71E75Z5; Aethylurethan (german); NCGC00095041-01; Aethylcarbamat (german); DSSTox_CID_1427; Urethanum [INN-Latin]; Uretan etylowy [Polish]; DSSTox_RID_76156; DSSTox_GSID_21427; Ethyl carbamate;Carbamic acid ethyl ester;Ethylurethane; Uretano; Urethanum; Carbamate, Ethyl; Carbamidsaeure-aethylester [German]; o-Ethyl carbamate; Ethyl Carbamate (Urethane); CAS-51-79-6; Urethane [INN:BAN:DCF]; CCRIS 619; Ethylester kyseliny karbaminove [Czech]; HSDB 2555; Urethane [INN:DCF]; SR-05000001854; EINECS 200-123-1; RCRA waste no. U238; AI3-00553; Urethane, INN; Spectrum_001685; Urethane, >=99%; Spectrum2_000909; Spectrum3_000965; Spectrum4_001082; Spectrum5_001651; WLN: ZVO2; BSPBio_002569; KBioGR_001464; KBioSS_002165; Urethane, analytical standard; BIDD:ER0508; DivK1c_000060; SPECTRUM1503304; SPBio_000758; CHEMBL462547; DTXSID9021427; HMS500C22; KBio1_000060; KBio2_002165; KBio2_004733; KBio2_007301; KBio3_001789; NINDS_000060; Urethane, >=99.0% (GC); HMS1922A10; HMS2093C21; HMS3885F08; Pharmakon1600-01503304; ZINC901020; HY-B1207; Tox21_111398; Tox21_201761; Tox21_300494; CCG-39905; NSC758452; s4544; STL257390; AKOS000118772; Tox21_111398_1; CS-4731; DB04827; MCULE-1776877276; NSC-758452; IDI1_000060; NCGC00095041-02; NCGC00095041-03; NCGC00095041-04; NCGC00095041-05; NCGC00095041-06; NCGC00095041-08; NCGC00254522-01; NCGC00259310-01; SBI-0051812.P002; SBI-0051812.P003; DB-052027; AM20100253; FT-0626365; FT-0675741; C01537; F21294; AB00052344_04; Q422884; SR-05000001854-1; SR-05000001854-2; BRD-K24297741-001-01-1; Carbamic acid ethyl ester;Ethyl carbamate;Ethylurethane; Z33546369; F0001-1333"	Approved	1	Discontinued Drug(s)	Discontinued	Small molecular drug	.	.	DB04827	DR1663	.	89.09	2	C3H7NO2	52.3	52.8	-0.2	6	1	2	CCOC(=O)N	"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)"	JOYRKODLDBILNP-UHFFFAOYSA-N
DG01785	Estradiol	5757	"Estradiol; beta-Estradiol; 17beta-Estradiol; 50-28-2; Oestradiol; Dihydrofolliculin; Estrace; Ovocyclin; Vivelle; progynon; Dihydrotheelin; Dihydroxyestrin; Aquadiol; Diogynets; Gynergon; Gynoestryl; Diogyn; Oestroglandol; Aerodiol; Corpagen; Dimenformon; Estrovite; Femestral; Follicyclin; Ginosedol; Macrodiol; Oestergon; Ovahormon; Ovasterol; Ovastevol; Perlatanol; Primofol; Profoliol; Altrad; Bardiol; Climara; Divigel; Evorel; Femogen; Lamdiol; Syndiol; Vagifem; Dihydromenformon; estradiol-17beta; cis-Estradiol; Estraderm TTS; Estraderm; Estraldine; Estroclim; Trocosone; Estrogel; Menorest; Nordicol; Zumenon; Systen; D-Oestradiol; D-Estradiol; Progynon DH; Climaderm; Compudose; Dermestril; Estrasorb; Ovocycline; Encore; Estring; Menest; Oesclim; Dihydroxyoestrin; SK-Estrogens; Progynon-DH; Gynestrel; Microdiol; Oestrogynal; Ovociclina; Ovocylin; Tradelia; Estroclim 50; Innofem; Macrol; Zerella; 17beta-Oestradiol; Alora; Oestradiol R; Estring vaginal ring; Dihydrofollicular hormone; Trial SAT; Theelin, dihydro-; Elestrin; Fempatch; Gynodiol; Oestrogel; Esclim; Compudose 200; Compudose 365; Profoliol B; 17b-Oestradiol; 17-beta-estradiol; Estradiol-17-beta; Estradot; Estrogen; Gelestra; 3,17-Epidihydroxyestratriene; Zesteem; Dihydroxyesterin; cis-Oestradiol; Estraderm TTS 50; Estrogens, esterified; B-Estradiol; Epiestriol 50; 17beta oestradiol; NSC-9895; 17 beta-Estradiol; Estradiol-17 beta; Evamist; Amnestrogen; Femanest; 17.beta.-Estradiol; Estra-1,3,5(10)-triene-3,17beta-diol; 3,17-Epidihydroxyoestratriene; Sandrena 1; 17b-Estradiol; (17beta)-Estra-1,3,5(10)-triene-3,17-diol; Estraderm (TN); [3H]-estradiol; 17; A-estradiol; 17; A-Oestradiol; Estrogel (TN); Climara (TN); Divigel (TN); Estrace (TN); Estring (TN); Innofem (TN); Vagifem (TN); Vivelle (TN); 17.beta.-Oestradiol; 3,17.beta.-Estradiol; .beta.-Estradiol; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; .beta.-Oestradiol; [3H]]estradiol; UNII-4TI98Z838E; Estradiol, .beta.-; Estradiol-17.beta.; CHEBI:16469; Estra-1,3,5(10)-triene-3,17-diol (17beta)-; Oestradiol-17.beta.; ESTRADIOL HEMIHYDRATE; Oestra-1,3,5(10)-triene-3,17beta-diol; Estrasorb (TN); 17.beta.-OH-estradiol; 17.beta.-OH-oestradiol; 17beta estradiol (E2); Extrasorb; 17beta-Estra-1,3,5(10)-triene-3,17-diol; Estreva; Estrifam; Femtran; Ginedisc; CHEMBL135; GynPolar; (17beta)-estra-1(10),2,4-triene-3,17-diol; Sandrena Gel; D-3,17.beta.-Estradiol; D-3,17.beta.-Oestradiol; Sisare Gel; Estra-1,3,5(10)-triene-3,17-diol, (17beta)-; Estrofem 2; MLS000069494; 3,17b-Dihydroxyestra-1,3,5(10)-triene; Oestradiolum; Climara Forte; 4TI98Z838E; Oestradiol Berco; Estraderm MX; VIVELLE-DOT; 1,3,5-Estratriene-3,17beta-diol; [3H]E2; Oestradiol-17beta; Estrapak 50; (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol; (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 141290-02-0; Estradiolum [INN]; Estradiolo [DCIT]; NCGC00091544-04; Oestradiol-17-beta; Estradiolum; Estrodiolum; Estradiolo; Femestrol; SMR000059126; Estradiol-3,17beta; DSSTox_CID_573; 17-beta-OH-estradiol; 3,17-beta-Estradiol; 3,17beta-Dihydroxy-1,3,5(10)-estratriene; 3,17beta-Dihydroxyestra-1,3,5(10)-triene; 3,17-beta-Oestradiol; D-3,17beta-Estradiol; E(sub 2); DSSTox_RID_75666; Methyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate.; Benzogynestry; DSSTox_GSID_20573; Estropause; Estasorb; [2,4,6,7-3H]-E2; E 2; E2; Destradiol; Minivelle; Yuvvexy; Zesteen; .alpha.-Estradiol; 17-beta-OH-oestradiol; 17 -Estradiol; D-3,17beta-Oestradiol; D-3,17-beta-Estradiol; Estrodiolum [INN-Latin]; NSC-20293; D-3,17-beta-Oestradiol; Activella (Salt/Mix); Estradiol Anhydrous; Combipatch (Salt/Mix); CCRIS 280; component of Menrium; Estradiol-17 alpha; Climara Pro (Salt/Mix); 3,17beta-Estradiol; 3,17-.beta.-Oestradiol; Estraderm TTS 100; HSDB 3589; 3,3,5(10)-triene; SR-01000075866; 17-.BETA.-Estradiol; EINECS 200-023-8; (+)-3,17.beta.-Estradiol; 1,3,5-Estratriene-3,17-beta-diol; oestrodiol; Estradiol [USP:INN:BAN]; 3,17beta-Dihydroxyestra-1,3,5-triene; 3,17beta-Dihydroxyoestra-1,3,5-triene; Elestrim; delta-Estradiol; dihydro-Theelin; 3,17-beta-Dihydroxyoestra-1,3,5-triene; delta-Oestradiol; TX-004HR; MFCD00003693; Estra-1,3,5(10)-triene-3,17-beta-diol; Estradiol complex; Estrogel HBF; Oestra-1,3,5(10)-triene-3,17-beta-diol; 1jgl; 1lhu; 1qkt; 1qku; 3,17-beta-Dihydroxyestra-1,3,5(10)-triene; [3H]estradiol; 1,3,5-Estratriene-3,17.beta.-diol; 3,17-beta-Dihydroxy-1,3,5(10)-oestratriene; CAS-50-28-2; 17-beta-Estra-1,3,5(10)-triene-3,17-diol; 17beta-Oestra-1,3,5(10)-triene-3,17-diol; .alpha.-Oestradiol; 17-beta-Oestra-1,3,5(10)-triene-3,17-diol; Estra-1,3,5(10)-triene-3,17-diol; Prestwick_207; 17-beta-oestradiol; 3,17b-Estradiol; Bio-E-Gel; Estradiol 17-beta; Fem7; [3H]-Estrogen; 17  -Estradiol; 3,17.beta.-Dihydroxyestra-1,3,5-triene; 3,17.beta.-Dihydroxyoestra-1,3,5-triene; CMC_11154; 1,3,5,(10)-Estratrien-3,17.beta.-diol; SL-1100; Estra-1,3,5(10)-triene-3,17.beta.-diol; Oestra-1,3,5(10)-triene-3,17.beta.-diol; 17-.beta.-oestradiol; 2j7x; 3,17.beta.-Dihydroxy-1,3,5(10)-estratriene; 3,17.beta.-Dihydroxy-1,3,5(10)-oestratriene; 3,17.beta.-Dihydroxyestra-1,3,5(10)-triene; 3,3,5-triene; [3H]17beta-estradiol; (17 )-Estra-1,3,5(10)-triene-3,17-diol; 17.beta.-Estra-1,3,5(10)-triene-3,17-diol; 17.beta.-Oestra-1,3,5(10)-triene-3,17-diol; Opera_ID_1688; Prestwick0_000441; Prestwick1_000441; Prestwick2_000441; Prestwick3_000441; Spectrum5_002055; 17beta-estradiol (E2); alpha-estradiol (obsolete); beta-Estradiol, >=98%; bmse000642; Epitope ID:136018; (+)-3,17b-Estradiol; E 8875; EC 200-023-8; SCHEMBL8049; (+)-3,17beta-Estradiol; Estradiol (JAN/USP/INN); Tritiated estradiol-17-beta; BIDD:PXR0065; Lopac0_000503; S-21400; BSPBio_000482; BSPBio_001065; KBioGR_000405; KBioGR_002269; KBioSS_000405; KBioSS_002270; Oestradiol-17beta and esters; MLS000758312; MLS001076331; MLS001424022; BIDD:ER0125; Oestradiol-17beta and esters [Steroidal oestrogens]; SPBio_002421; BPBio1_000532; GTPL1012; GTPL1013; DTXSID0020573; Estradiol valerate metabolite e2; NIOSH/KG7030000; BDBM17292; KBio2_000405; KBio2_002269; KBio2_002973; KBio2_004837; KBio2_005541; KBio2_007405; KBio3_000769; KBio3_000770; KBio3_002749; AOB5963; NSC9895; 1a52; 1g50; 2d06; cMAP_000005; Bio1_000403; Bio1_000892; Bio1_001381; Bio2_000363; Bio2_000843; HMS1362E07; HMS1569I04; HMS1792E07; HMS1990E07; HMS2051C17; HMS2090E18; HMS2096I04; HMS2236H04; HMS3261F07; HMS3403E07; HMS3713I04; HMS3884A08; beta-Estradiol, analytical standard; (8S,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; BCP08579; HY-B0141; Tox21_111148; Tox21_202057; Tox21_300288; Tox21_500503; 1,5-Estratriene-3,17.beta.-diol; LMST02010001; s1709; WC3011; ZINC13520815; Estradiol-17-beta-6,7-(sup 3)H; [2,4,6,7-3H]-17beta-estradiol; AKOS015896570; CCG-100808; CS-1938; DB00783; LP00503; NC00058; SDCCGSBI-0050487.P002; WC-3011; IDI1_002118; SMP1_000121; NCGC00091544-00; NCGC00091544-01; NCGC00091544-02; NCGC00091544-05; NCGC00091544-06; NCGC00091544-07; NCGC00091544-09; NCGC00091544-10; NCGC00091544-11; NCGC00091544-12; NCGC00091544-13; NCGC00091544-14; NCGC00091544-15; NCGC00091544-16; NCGC00091544-18; NCGC00091544-27; NCGC00179321-01; NCGC00179321-02; NCGC00254177-01; NCGC00259606-01; NCGC00261188-01; 17-E; AC-22346; AS-13729; CPD000059126; H061; Estra-1,3,5(10)-triene-3,17b-diol; Oestra-1,3,5(10)-triene-3,17b-diol; WLN: L E5 B666TTT&J E1 FQ OQ; Estra-1,5(10)-triene-3,17.beta.-diol; Estradiol, meets USP testing specifications; 3,17beta-dihydroxyestra-1,3,5(10)-trien; EU-0100503; KG70300000; Oestra-1,5(10)-triene-3,17.beta.-diol; C00951; D00105; J10189; (17b)-Estra-1,3,5(10)-triene-3,17-diol; 13b-Methyl-1,3,5(10)-gonatriene-3,17b-ol; 17-decahydrocyclopenta[a]phenanthrene-3,17-diol; 17.beta.-Estra-1,5(10)-triene-3,17-diol; 17.beta.-Oestra-1,5(10)-triene-3,17-diol; 003E693; 17-beta-Estradiol 100 microg/mL in Acetonitrile; Q422416; SR-01000721892; 13beta-Methyl-1,3,5(10)-gonatriene-3,17beta-ol; Estra-1,5(10)-triene-3,17-diol (17.beta.)-; Q-201503; SR-01000075866-1; SR-01000075866-4; SR-01000721892-3; BRD-K18910433-001-04-4; BRD-K18910433-001-43-2; estra-1(10),2,4-triene-3,17-diol, (17beta)-; Estra-1,5(10)-triene-3,17-diol, (17.beta.)-; Z1847670481; B8B5AEF5-4957-49EB-A14F-444A8212C482; beta-Estradiol, BioReagent, powder, suitable for cell culture; Estradiol, United States Pharmacopeia (USP) Reference Standard; beta-Estradiol, powder, gamma-irradiated, suitable for cell culture; Estra-1,3,5(10)-triene-3,17-diol, (6,7-(sup 3)H,17-beta)-; (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol; Estradiol, Pharmaceutical Secondary Standard; Certified Reference Material; (13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-beta-diol; (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2,4,6-triene-5,14-diol; 17beta-Estradiol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16469	.	DR0007	DR00129	272.4	0	C18H24O2	40.5	382	4	20	2	2	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O	"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1"	VOXZDWNPVJITMN-ZBRFXRBCSA-N
DG01786	D-Glucose	5793	"D-Glc; D-Glucopyranose; D-Glucopyranoside; D-Glucose; Glc; Glucopyranose; Glucopyranoside; Glucose; 2280-44-6; Grape sugar; D-Glcp; Traubenzucker; Glucose solution; (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; Dextrose solution; CHEBI:4167; Corn sugar; Glucopyranose, D-; (3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; DSSTox_CID_2910; Glucodin; Goldsugar; Meritose; 54-17-1; Vadex; Clintose L; CPC hydrate; Roferose ST; Glucose Anhydrous; a-D-Glucose; Clearsweet 95; Staleydex 95M; Staleydex 111; (+)-Glucose; Cerelose 2001; rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol; Tabfine 097(HS); 2h-pyran-2,3,4,5-tetraol; D-Glucopyranose, anhydrous; Liquid glucose; glc-ring; anhydrous glucose; Cartose Cerelose; D-aGlucopyranose; D-glucose-ring; Glucose injection; Glucose 40; Staleydex 130; EINECS 218-914-5; Glc-OH; Meritose 200; nchembio867-comp4; Dextrose, unspecified; Glucose (JP17); starbld0000491; 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol; Anhydrous Glucose ,(S); Glucose, unspecified form; Dextrose, unspecified form; Purified glucose (JP17); Epitope ID:142342; D-(+)-DEXTROSE; DSSTox_RID_76784; DSSTox_RID_82925; DSSTox_GSID_22910; DSSTox_GSID_48729; GTPL4536; CHEMBL1222250; BDBM34103; DTXSID501015215; DTXSID901015217; Tox21_113165; Tox21_200145; AKOS025147374; NSC 287045; CAS-50-99-7; NCGC00166293-01; NCGC00257699-01; BS-48662; CAS-58367-01-4; G0048; (3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydro-; C00031; D00009; Q37525; Q23905964; N_FULL/O_FULL_10000000000000_GS_656; D-glucose (closed ring structure, complete stereochemistry); WURCS=2.0/1,1,0/[a2122h-1x_1-5]/1/"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:4167	DB01914	DR2081	DR00165	180.16	1	C6H12O6	110	151	-2.6	12	5	6	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O	"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6 /m1/s1"	WQZGKKKJIJFFOK-GASJEMHNSA-N
DG01787	Carbon tetrachloride	5943	"CARBON TETRACHLORIDE; Tetrachloromethane; 56-23-5; Perchloromethane; Tetrasol; Vermoestricid; Benzinoform; Necatorine; Tetrafinol; Carbona; Univerm; Methane, tetrachloro-; Carbon tet; Methane tetrachloride; Flukoids; Necatorina; Tetraform; Carbon chloride; Tetrachlormethan; Tetrachloormetaan; Tetrachlorocarbon; Freon 10; carbontetrachloride; CCl4; Tetraclorometano; Tetrachloorkoolstof; Czterochlorek wegla; Halon 1040; Carbon chloride (CCl4); Chlorid uhlicity; R 10 (Refrigerant); Tetrachlorure de carbone; Tetracloruro di carbonio; Refrigerant R10; tetrachloro-methane; RCRA waste number U211; Tetrachlorkohlenstoff, tetra; HSDB 53; ENT 4,705; Thawpit; Tetra; R 10; UNII-CL2T97X0V0; ENT 27164; NSC 97063; CHEBI:27385; Halon 104; CL2T97X0V0; MFCD00000785; NCGC00091016-02; DSSTox_CID_250; DSSTox_RID_75464; DSSTox_GSID_20250; Caswell No. 164; CC m0; Chlorid uhlicity [Czech]; Tetrachlormethan [German]; Tetraclorometano [Italian]; Tetrachloorkoolstof [Dutch]; CAS-56-23-5; Carbon tetrachloride, analytical standard; Czterochlorek wegla [Polish]; CCRIS 123; Kohlenstofftetrachlorid; Carbon tetrachloride [BSI:ISO]; Tetrachlorure de carbone [French]; Tetracloruro di carbonio [Italian]; EINECS 200-262-8; UN1846; Tetrachlorkohlenstoff, tetra [German]; RCRA waste no. U211; EPA Pesticide Chemical Code 016501; Tetrachlorure de carbone [ISO-French]; Benzenoform; Katharin; Seretin; perchorormethane; tetrachorocarbon; tetrachlormethane; AI3-04705; Carbon chloride ; tetrachloridocarbon; carbon tetracloride; tetra-chloromethane; tetrachloro methane; carbon tetrachioride; carbon-tetrachloride; F10; Tetrachlorkohlenstoff; carbon tetra-chloride; Cl4C; carbon tetra- chloride; Tetrachloromethane, 9CI; WLN: GXGGG; Carbon tetrachloride [NF]; EC 200-262-8; Carbon tetrachloride, 99%; CHEMBL44814; SCHEMBL2466909; DTXSID8020250; NSC97063; ZINC8214515; Tox21_111057; Tox21_200039; BDBM50237610; NSC-97063; AKOS015903411; UN 1846; NCGC00091016-01; NCGC00091016-03; NCGC00091016-04; NCGC00257593-01; Carbon tetrachloride (1mg/ml in methanol); Carbon tetrachloride [UN1846] [Poison]; Carbon tetrachloride, anhydrous, >=99.5%; Carbon tetrachloride, for HPLC, >=99.9%; Carbon tetrachloride, reagent grade, 99.9%; Tetrachloromethane 100 microg/mL in Methanol; C07561; Carbon tetrachloride 100 microg/mL in Methanol; Carbon tetrachloride 5000 microg/mL in Methanol; L023972; Q225045; BRD-K24169676-001-01-1; F0001-1467"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:27385	.	.	.	153.8	0	CCl4	0	19.1	2.8	5	0	0	C(Cl)(Cl)(Cl)Cl	"InChI=1S/CCl4/c2-1(3,4)5"	VZGDMQKNWNREIO-UHFFFAOYSA-N
DG01788	Medroxyprogesterone acetate	6279	"Medroxyprogesterone acetate; Medroxyprogesterone 17-acetate; 71-58-9; Provera; Metigestrona; Farlutin; Gestapuran; Perlutex; Veramix; Methylacetoxyprogesterone; Medroxyacetate progesterone; Depo-Provera; Depcorlutin; Deporone; Lutopolar; Nadigest; Prodasone; Progestalfa; Progevera; Proverone; Repromix; Sirprogen; Supprestral; Lutoral; Nidaxin; Oragest; Depo-Promone; Promone-E; 6-alpha-Methyl-17-alpha-acetoxyprogesterone; Medroxyprogesteroneacetate; NSC-26386; 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate; 17alpha-Hydroxy-6alpha-methylprogesterone acetate; 6alpha-Methyl-17alpha-hydroxyprogesterone acetate; Amen; 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate; Depot medroxyprogesterone acetate; Depot-medroxyprogesterone acetate; UNII-C2QI4IOI2G; DP150; Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6alpha)-; 17-Acetoxy-6alpha-methylprogesterone; Aragest; Clinovir; Ralovera; 6alpha-Methyl-17-acetoxy progesterone; Hysron; Provera dosepak; Depo-clinovir; Depo-Ralovera; (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate; U 8839; C2QI4IOI2G; Medroxyprogesterone (acetate); Medroxyprogesterone-17-acetate; MLS000069442; (6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione; CHEBI:6716; ONCO-Provera; NSC-21171; Medrosterona; Clinofem; Cykrina; Depocon; Indivina; Mepastat; Meprate; Repromap; SMR000059125; Sumiferm; Suprestral; Veraplex; Dugen; Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6a)-; Depo-progestin; Depo-Prodasone; Depo-Progevera; Perlutex Leo; DSSTox_CID_5527; Depo-Map; Aragest 5; Med-Pro; MPA-beta; DSSTox_RID_77819; MPA Hexal; MPA-Noury; DSSTox_GSID_25527; [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; MAP (steroid); 17alpha-Acetoxy-6alpha-methylprogesterone; Depomedroxyprogesterone acetate; MPA GYM; Depo-Medroxyprogesterone acetate; Depo-subq provera; CAS-71-58-9; CCRIS 371; 17.alpha.-Acetoxy-6.alpha.-methylprogesterone; EINECS 200-757-9; 6alpha-Methyl-17-acetoxyprogesterone; NSC 21171; Depo-Provera Contraceptive; 17-Acetoxy-6-alpha-methylprogesterone; (6.alpha.-Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-; 17.alpha.-Hydroxy-6-.alpha.-methylprogesterone acetate; Pregn-4-ene-3, 17-hydroxy-6.alpha.-methyl-, acetate; 6-alpha-Methyl-17-acetoxy progesterone; BRN 2066112; Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-, (6.alpha.)-; AI3-60127; 17-Acetoxy-6.alpha.-methylprogesterone; 6.alpha.-Methyl-17-acetoxyprogesterone; Farlutal inyectable; NCGC00094713-01; 17alpha-Hydroxy-6-alpha-methylprogesterone acetate; Progesterone, 17-hydroxy-6alpha-methyl-, acetate; 17-alpha-Hydroxy-6-alpha-methylprogesterone acetate; Provera (TN); Depo-provera (TN); 6alpha-Methyl-17alpha-acetoxypregn-4-ene-3,20-dione; Medroxyprogesterone acetate [USP:JAN]; 17-alpha-Acetoxy-6-alpha-methylpregn-4-ene-3,20-dione; 17alpha-Acetoxy-6-alpha-methylpregn-4-ene-3,20-dione; 6-alpha-Methyl-17-alpha-acetoxypregn-4-ene-3,20-dione; Progesterone, 17-alpha-hydroxy-6-alpha-methyl-, acetate; Medroxyprogesterone acetate [Progestins]; 6-alpha-Methyl-4-pregnene-3,20-dion-17-alpha-ol acetate; 6.alpha.-Methyl-17.alpha.-acetoxyprogesterone; (6-alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione; 17alpha-Hydroxy-6alpha-methylpregn-4-ene-3,20-dione acetate; 6alpha-Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-; CPD000653524; 17-alpha-Hydroxy-6-alpha-methylpregn-4-ene-3,20-dione acetate; Medroxyprogesteroni acetas; Opera_ID_1110; medroxyprogesterone-acetate; 17.alpha.-Hydroxy-6.alpha.-methylprogesterone acetate; 6.alpha.-Methyl-17.alpha.-hydroxyprogesterone acetate; Medroxiprogesterone Acetate; CHEMBL717; SCHEMBL4276; 6.alpha.-Methyl-17.alpha.-acetoxypregn-4-ene-3,20-dione; 17.alpha.-Acetoxy-6-.alpha.-methylpregn-4-ene-3,20-dione; 4-08-00-02212 (Beilstein Handbook Reference); 6.alpha.-Methyl-4-pregnene-3,20-dion-17.alpha.-ol acetate; MLS001148217; MLS002207115; 17.alpha.-Hydroxy-6.alpha.-methylpregn-4-ene-3,20-dione acetate; Depo-subq provera 104 (TN); DTXSID0025527; G03AC06; HMS2233O07; HMS2235E05; HMS3259O14; HMS3884B10; (6-alpha)-Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-; (6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6,10,13-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate; CBP-1011; HY-B0469; NSC21171; NSC26386; ZINC5029557; Tox21_111319; Tox21_200141; BDBM50067678; s2567; AKOS015894870; Tox21_111319_1; AC-2174; CCG-264965; DB00603; NC00574; Medroxyprogesterone acetate (JP17/USP); MRF-0000023; NCGC00022037-03; NCGC00022037-04; NCGC00022037-05; NCGC00022037-07; NCGC00257695-01; NCGC00263480-01; AS-13981; I028; SMR000653524; TV-46046; C08150; C76275; D00951; AB00384270-14; AB00384270_15; Medroxyprogesterone 17-acetate, >=97% (HPLC); 010M483; Q2823834; (6 )-6-Methyl-3,20-dioxopregn-4-en-17-yl acetate; 6.alpha.-Pregn-4-ene-3, 17-(acetyloxy)-6-methyl-; Medroxyprogesterone-17-acetate 100 microg/mL in Acetonitrile; Medroxyprogesterone 17-acetate, VETRANAL(TM), analytical standard; Medroxyprogesterone acetate, European Pharmacopoeia (EP) Reference Standard; Pregn-4-ene-3,20-dione, 17-hydroxy-6alpha-methyl-, acetate (8CI); Medroxyprogesterone Acetate, Pharmaceutical Secondary Standard; Certified Reference Material; Medroxyprogesterone acetate, United States Pharmacopeia (USP) Reference Standard; Medroxyprogesterone acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; Medroxyprogesterone acetate for system suitability, European Pharmacopoeia (EP) Reference Standard; Medroxyprogesterone acetate, for performance test, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00603	DR1012	.	386.5	3	C24H34O4	60.4	767	4.1	28	0	4	C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C	"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1"	PSGAAPLEWMOORI-PEINSRQWSA-N
DG01789	Rotenone	6758	"Rotenone; 83-79-4; Dactinol; Paraderil; Barbasco; (-)-Rotenone; Tubatoxin; Derrin; (-)-cis-Rotenone; Rotocide; Derris; Rotenon; Cube root; Nicouline; Noxfish; Ronone; Canex; Deril; Liquid Derris; Cube-Pulver; Dri-Kil; Rotessenol; Noxfire; Rotefive; Rotefour; Rotenox; Cubor; Extrax; Haiari; Mexide; Cube extract; Derris root; Powder and root; Chem-Mite; Pro-nox fish; Fish-Tox; Cenol garden dust; Curex flea duster; Prenfish; Tubotoxin; Gerane; Prentox; Ro-Ko; Synpren; Derris (insecticide); Chem fish; Pb-nox; Rotenox 5EC; 5'-beta-Rotenone; Green Cross Warble Powder; Chem-Fish Synergized; Prentox Synpren-Fish; Caswell No. 725; Rotenone, dehydro; Foliafume E.C.; ENT 133; Rotenone, commercial; CCRIS 895; HSDB 1762; NCI-C55210; 5'beta-Rotenone; EPA Pesticide Chemical Code 071003; UNII-03L9OT429T; AI3-00133; NSC26258; Rotenona; Derris resins; MLS000738056; CHEMBL429023; CHEBI:28201; 03L9OT429T; Rotacide E.C.; CUBE; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-; (12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one; (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; (2R-(2alpha,6aalpha,12aalpha))-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6aH)-one; 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; 1,2,12,12aalpha-Tetrahydro-2a-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one; NCGC00017358-05; Nekoe; DSSTox_CID_1248; DSSTox_RID_76038; DSSTox_GSID_21248; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R-(2alpha,6aalpha,12aalpha))-; (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one; (2R,6aS,12aS)-8,9-Dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one; [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one; Rotenona [Spanish]; Rotenone [BSI:ISO]; Protax; MFCD09025614; 5'.beta.-Rotenone; CAS-83-79-4; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; (2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one; (2R,6aS,12aS)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one; (2R,6aS,12aS)-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-; SR-01000076110; EINECS 201-501-9; NSC 26258; Rotenoid; Roteonone; WLN: T G5 D6 B666 CV HO MO POT&TT&J IY1&U1 SO1 TO1; 5''beta-rotenone; 5'b-Rotenone; Rotocide E.C.; (1)Benzopyrano[3,3-h](1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-iospropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2alpha,6aalpha,12aalpha)]-; Derris, JMAF; Prestwick_542; Rotenone (7CI); Rotenone, >=95%; Spectrum_000065; Spectrum2_000457; Spectrum3_000158; Spectrum4_001638; Spectrum5_000455; Lopac0_001112; SCHEMBL42253; BSPBio_001896; isopropenyl(dimethoxy)[ ]one; KBioGR_002075; KBioSS_000465; SPECTRUM200013; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on; DivK1c_000947; SPBio_000534; DTXSID6021248; HMS502P09; KBio1_000947; KBio2_000465; KBio2_003033; KBio2_005601; KBio3_001116; inhibits NADH2 oxidation to NAD; NSC8505; NINDS_000947; HMS3263O06; 12679-58-2; BCP07278; HY-B1756; NSC-8505; TNP00301; ZINC3860715; Tox21_110819; Tox21_201904; Tox21_300695; Tox21_501112; 2901AC; BDBM50135527; CCG-39886; LMPK12060007; NSC-26258; AKOS004910398; Tox21_110819_1; CS-6067; DB11457; LP01112; MCULE-7287067191; MCULE-7415617623; SDCCGMLS-0066415.P001; SDCCGSBI-0051081.P003; IDI1_000947; Rotenone 100 microg/mL in Acetonitrile; NCGC00017358-01; NCGC00017358-02; NCGC00017358-03; NCGC00017358-04; NCGC00017358-06; NCGC00017358-07; NCGC00017358-08; NCGC00017358-09; NCGC00017358-10; NCGC00017358-11; NCGC00017358-14; NCGC00017358-15; NCGC00017358-22; NCGC00094382-01; NCGC00094382-02; NCGC00094382-03; NCGC00094382-04; NCGC00094382-05; NCGC00254603-01; NCGC00259453-01; NCGC00261797-01; AC-31290; AS-10183; NCI60_002093; SMR000393729; EU-0101112; R0090; Rotenone, PESTANAL(R), analytical standard; C07593; R 8875; 599T610; Q412388; SR-01000076110-2; SR-01000076110-5; SR-01000076110-6; W-104134; BRD-K08316444-001-01-9; BRD-K08316444-001-05-0; (2R-(6aalpha,12aalpha)-1,2-Dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-one; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-isopropenyl-8,9-dimethoxy-; [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropenyl-8,9-dimethoxy- (8CI); [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)- (9CI); 1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 9CI; Tubatoxin 1,2,12,12a,-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]-benzopyran-6(6aH)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28201	DB11457	.	.	394.4	3	C23H22O6	63.2	664	4.1	29	0	6	CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	"InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1"	JUVIOZPCNVVQFO-HBGVWJBISA-N
DG01790	Picric acid	6954	"PICRIC ACID; 2,4,6-Trinitrophenol; Trinitrophenol; 88-89-1; Acide picrique; Carbazotic acid; Picronitric acid; Melinite; Phenol trinitrate; Picral; Nitroxanthic acid; Pikrinsaeure; Phenol, 2,4,6-trinitro-; Pikrinezuur; Acido picrico; Pikrynowy kwas; 2-Hydroxy-1,3,5-trinitrobenzene; Kyselina pikrova; 1,3,5-Trinitrophenol; C.I. 10305; 2,4,6-Trinitrofenol; 2,4,6-Trinitrofenolo; 2,4,6-Trinitrophenyl; UNII-A49OS0F91S; NSC 36947; CI 10305; A49OS0F91S; CHEBI:46149; Picric acid, dry; Picric acid, wet; 2,6-Trinitrofenol; Pertite; Picric acid (dry); Picric acid (wet); 1,5-Trinitrophenol; 2,6-Trinitrofenolo; 2,6-Trinitrophenol; Phenol,4,6-trinitro-; Phenoltrinitrate; Acidum picrinicum; WLN: WNR BQ CNW ENW; 2-Hydroxy-1,5-trinitrobenzene; Pikrinezuur [Dutch]; Pikrinsaeure [German]; Picricum acidum; Acide picrique [French]; Acido picrico [Italian]; Pikrynowy kwas [Polish]; Kyselina pikrova [Czech]; 2,4,6-Trinitrophenol (Picric Acid); CCRIS 3106; Trinitrophenol [NF]; 2,4,6-Trinitrofenol [Dutch]; HSDB 2040; 2,4,6-Trinitrofenolo [Italian]; EINECS 201-865-9; NA1344; UN0154; UN1344; Reflorit; AI3-15403; Hager's reagent; Picric acid solution; Picric acid, p.a.; Lyddite (Salt/Mix); Ecrasite (Salt/Mix); Schimose (Salt/Mix); SCHEMBL8745; NA 1344 (Salt/Mix); UN 1344 (Salt/Mix); CHEMBL108541; DTXSID4025909; Picric acid, dry or wetted with < 30% water, by mass; SCHEMBL14419782; BDBM34612; cid_3241713; Trinitrophenol, dry or wetted with < 30% water, by mass; NSC36947; NSC56147; ZINC1883067; 3-Hydroxy-2,4,6-trinitrobenzenide; NSC-36947; NSC-56147; STL199171; ZINC71129432; AKOS008966816; DB03651; MCULE-8917344355; UN 0154; Picric acid, wet, with not <10% water; DB-057108; Picric acid, moistened with water, >=98%; FT-0609916; Picric acid, SAJ special grade, >=99.5%; 2-methylbenzo[g][1,3]benzoxazole;picric acid; Picric acid solution, 0.9-1.1% (alkalimetric); Picric acid solution, 1.3% in H2O (saturated); A842990; Q189298; SR-01000944524; 1-methyl-3,4-dihydro-2H-beta-carboline;picric acid; 2,4,6-Trinitrophenol 10 microg/mL in Acetonitrile; SR-01000944524-1; 2,4,6-Trinitrophenol 100 microg/mL in Acetonitrile; Trinitrophenol, wetted with not <30% water, by mass; 2-methylbenzo[g][1,3]benzoxazole;2,4,6-trinitrophenol; Picric acid solution, ~1.3% in H2O, solution (saturated aqueous); Picric acid, wet, with not <10% water [NA1344] [Flammable solid]; Trinitrophenol or picric acid, dry or wetted with <30% water, by mass; Picric acid solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Picric acid, purum, moistened with >=40% water, >=98.0% (calc. on dry substance, T); Trinitrophenol, wetted with not <30% water, by mass [UN1344] [Flammable solid]; Trinitrophenol or picric acid, dry or wetted with <30% water, by mass [UN0154] [Explosive 1.1D]"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	229.1	0	C6H3N3O7	158	292	0.9	16	1	7	C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H"	OXNIZHLAWKMVMX-UHFFFAOYSA-N
DG01791	Glycidyl methacrylate	7837	"GLYCIDYL METHACRYLATE; 106-91-2; 2,3-Epoxypropyl methacrylate; Glycidol methacrylate; SY-Monomer G; oxiran-2-ylmethyl 2-methylprop-2-enoate; Blemmer G; Blemmer GMA; Light Ester G; oxiran-2-ylmethyl methacrylate; glycidylmethacrylate; 2-((Methacryloxy)methyl)oxirane; Methacrylic acid, 2,3-epoxypropyl ester; Glycidyl alpha-methylacrylate; 2-Propenoic acid, 2-methyl-, oxiranylmethyl ester; CP 105; NSC 24156; Methacrylic Acid Glycidyl Ester; Polyglycidyl methacrylate; poly(glycidyl methacrylate); 1-Propanol, 2,3-epoxy-, methacrylate; Glycidyl methacrylate(GMA); 2,3-Epoxypropanol methacrylate; Glycidyl .alpha.-methylacrylate; DTXSID0025361; Acriester G; NSC24156; NSC-24156; (oxiran-2-yl)methyl 2-methylprop-2-enoate; Glycidyl Methacrylate (stabilized with MEHQ); DSSTox_CID_5361; 25067-05-4; DSSTox_RID_77762; DSSTox_GSID_25361; GMA; 2-Propenoic acid, 2-methyl-, 2-oxiranylmethyl ester; oxiran-2-ylmethyl 2-methylacrylate; Methacrylic acid,3-epoxypropyl ester; MFCD00005137; WLN: T3OTJ B1OVY1 & U1; CAS-106-91-2; Glycidyl alpha-methyl acrylate; CCRIS 2626; HSDB 494; EINECS 203-441-9; SR 379; 2,3-Epoxypropyl methacrylic acid ester; BRN 0002506; Acryester G; glycidyl-methacrylate; 2-Propenoic acid, 2-methyl-, oxiranylmethyl ester, homopolymer; methacrylic acid glycidyl; EC 203-441-9; NCIOpen2_000036; SCHEMBL15617; 5-17-03-00035 (Beilstein Handbook Reference); methacrylic acid-glycidyl ester; CHEMBL1333073; CHEBI:132844; NSC67195; Tox21_201494; Tox21_303145; 2-Oxiranylmethyl 2-methylacrylate #; BBL010914; NSC-67195; SR-379; STK801798; AKOS000276065; AKOS016041668; MCULE-2297059991; Methacrylic acid 2,3-epoxypropyl ester; Glycidyl methacrylate, >=97.0% (GC); NCGC00091055-01; NCGC00091055-02; NCGC00256974-01; NCGC00259045-01; VS-02747; 2-methyl-acrylic acid oxiranylmethyl ester; CS-0063449; Epoxypropyl methacrylate,5 cp(25 degrees c); FT-0609742; M0590; Glycidyl Methacrylate, (stabilized with MEHQ); 2-methyl-acrylic acid oxiran-2-yl-methyl ester; E75837; Glycidyl methacrylate, purum, >=97.0% (GC); A801532; Q2013175; W-108764; Methacrylic Acid Glycidyl Ester (stabilized with MEHQ); Glycidyl methacrylate, stab. with 100ppm 4-methoxyphenol; 2-Propenoic acid, 2-methyl-, 2-oxiranylmethyl ester, homopolymer; Glycidyl methacrylate, 97%, contains 100 ppm monomethyl ether hydroquinone as inhibitor"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	142.15	4	C7H10O3	38.8	162	0.8	10	0	3	CC(=C)C(=O)OCC1CO1	"InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3"	VOZRXNHHFUQHIL-UHFFFAOYSA-N
DG01792	1-Dodecene	8183	"1-DODECENE; Dodec-1-ene; 112-41-4; DODECENE; Adacene 12; n-Dodec-1-ene; Dodecene-1; Dodecylene; alpha-Dodecene; alpha-Dodecylene; .alpha.-Dodecene; UNII-WYE669F3GR; 25378-22-7; NSC 12016; .alpha.-Dodecylene; Neodene 12; Dodecylene .alpha.-; 1-Dodecene, dimer; MFCD00008961; WYE669F3GR; CHEBI:89713; 1-Dodecene, 95%; DSSTox_CID_6914; DSSTox_RID_78251; DSSTox_GSID_26914; 62132-67-6; N-Dodec-1-Ene A-Dodecylene; CAS-112-41-4; HSDB 1076; EINECS 203-968-4; Propene, polymers, tetramer; n-dodecene; 1-dodecen; HSDB 2793; dodec-11-ene; EINECS 246-922-9; Tetrapropylene (petroleum); EC 203-968-4; EC 246-922-9; 1-Dodecene (standard material); 1-Dodecene, analytical standard; CHEMBL1872885; DTXSID5026914; NSC12016; ZINC1718715; EINECS 271-215-7; Tox21_201382; Tox21_303303; 1-Dodecene, >=99.0% (GC); 2179AA; LMFA11000313; NSC-12016; AKOS015904161; CS-W017788; MCULE-4843306057; 1-Dodecene, technical, >=90% (GC); NCGC00164290-01; NCGC00164290-02; NCGC00257096-01; NCGC00258933-01; BS-14425; DB-041090; D0974; FT-0607712; S0342; D70997; A802575; Q161620; J-002769; UNII-2U283N3346 component CRSBERNSMYQZNG-UHFFFAOYSA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	168.32	9	C12H24	0	84	6.8	12	0	0	CCCCCCCCCCC=C	"InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3"	CRSBERNSMYQZNG-UHFFFAOYSA-N
DG01793	Kainic acid	10255	"Kainic acid; 487-79-6; Digenin; Digenic acid; Helminal; Kainate; L-alpha-Kainic acid; alpha-Kainic acid; Digensaeure; Kainsaeure; Acidum kainicum; Acide kainique; Acido kainico; C10H15NO4; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S,3S,4S)-; UNII-SIV03811UC; alpha- Kainic acid; rac Kainic Acid; CHEMBL275040; SIV03811UC; CHEBI:31746; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; NSC136038; 3-(Carboxymethyl)-4-isopropenylproline; (3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline; NCGC00024504-05; (3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline; NSC 136038; (2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid; DSSTox_CID_20526; DSSTox_RID_79503; DSSTox_GSID_40526; (2S,3S,4S)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid; Kainic acid [INN:JAN]; CAS-487-79-6; Acide kainique [INN-French]; Acido kainico [INN-Spanish]; Acidum kainicum [INN-Latin]; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; BRN 0086660; kainic-acid; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; NSC-759587; KAI; 1p1n; Kainic acid (synthetic); Biomol-NT_000217; UPCMLD-DP146; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; Lopac0_000656; SCHEMBL15777; 4-22-00-01523 (Beilstein Handbook Reference); MLS001074661; BPBio1_001306; (-)-(.alpha.)-Kainic Acid; DTXSID7040526; UPCMLD-DP146:001; UPCMLD-DP146:002; HMS2233K05; HMS3262C13; HMS3266C11; HMS3411A21; HMS3675A21; HY-N2309; ZINC3995575; Tox21_110905; Tox21_500656; BDBM50002369; Kainic Acid - CAS 487-79-6; AKOS024456995; Tox21_110905_1; CCG-204742; LP00656; NSC-136038; SDCCGSBI-0050635.P002; NCGC00024504-02; NCGC00024504-03; NCGC00024504-04; NCGC00024504-06; NCGC00024504-07; NCGC00024504-08; NCGC00024504-09; NCGC00024504-15; NCGC00261341-01; R081; SMR000471885; B6226; CS-0020451; EU-0100656; K 0250; Q390239; SR-01000597728; SR-01000075454-1; SR-01000075454-5; SR-01000075454-6; SR-01000075454-7; SR-01000597728-1; rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; 2S-CARBOXY-4S-(1-METHYLETHENYL)-3S-PYRROLDINEACETIC ACID; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; (2S,3S,4S)-3-(Carboxymethyl)-4-Prop-1-En-2-yl-Pyrrolidine-2-Carboxylicacid; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); 4071-38-9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	213.23	4	C10H15NO4	86.6	300	-1.8	15	3	5	CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O	"InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1"	VLSMHEGGTFMBBZ-OOZYFLPDSA-N
DG01794	"Hexane-1,6-diol"	12374	"1,6-HEXANEDIOL; Hexane-1,6-diol; 629-11-8; Hexamethylene glycol; 1,6-Dihydroxyhexane; Hexamethylenediol; alpha,omega-Hexanediol; .alpha.,.omega.-Hexanediol; UNII-ZIA319275I; 6-hydroxy-1-hexanol; 1,6-Hexanediol, homopolymer; CHEBI:43078; ZIA319275I; 27236-13-1; HEZ; CCRIS 8982; 1,6-Hexylene Glycol; HSDB 6488; NSC 508; 1,6-Hexanediol solution; EINECS 211-074-0; BRN 1633461; AI3-03307; 1,6hexanediol; 1,6 hexanediol; 1.6-hexanediol; 1,6-hexandiol; 1.6-hexandiol; .omega.-Hexanediol; 1,6-hexane diol; 1,6-hexan-diol; hexan-1,6-diol; Hexanediol-(1,6); DSSTox_CID_7265; 1,6-Hexanediol, 97%; 1,6-Hexanediol, 99%; EC 211-074-0; WLN: Q6Q; DSSTox_RID_78376; HO(CH2)6OH; DSSTox_GSID_27265; SCHEMBL15343; CHEMBL458616; NSC508; DTXSID1027265; NSC-508; ZINC1555566; Tox21_200450; MFCD00002985; AKOS003242194; CS-W011221; DB02210; MCULE-8817570517; NCGC00248624-01; NCGC00258004-01; AS-12686; BP-21412; CAS-629-11-8; DB-027344; FT-0607014; H0099; 1,6-Hexanediol solution, BioUltra, ~6 M in H2O; 1,6-Hexanediol, >=99% C6-Dioles basis (GC); A834086; Q161563; J-504039; F0001-1701"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:43078	.	.	.	118.17	5	C6H14O2	40.5	31.5	0.3	8	2	2	C(CCCO)CCO	"InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2"	XXMIOPMDWAUFGU-UHFFFAOYSA-N
DG01795	Silicon dioxide	24261	"SILICON DIOXIDE; Silica; Quartz; Dioxosilane; 7631-86-9; Diatomaceous earth; Cristobalite; Silica gel; Tridymite; Sand; Infusorial earth; Silicic anhydride; KIESELGUHR; 112945-52-5; 14808-60-7; Aerosil; Crystalline silica; Diatomaceous silica; Dicalite; Wessalon; Glass; Ludox; Nyacol; Zorbax sil; 112926-00-8; 61790-53-2; Silica, amorphous; Cab-O-sil; Christensenite; Crystoballite; Silicon(IV) oxide; Siliceous earth; Synthetic amorphous silica; Amorphous silica; Silica, colloidal; 60676-86-0; QUARTZ (SIO2); 14464-46-1; Chalcedony; Diatomite; Agate; Cab-o-sil M-5; colloidal silica; Fused silica; Quartz glass; Quartz sand; Silica slurry; Silicone dioxide; SILICA, VITREOUS; Colloidal silicon dioxide; Siliceous earth, purified; Min-U-Sil; Silicon dioxide (amorphous); 15468-32-3; Silicon dioxide, fumed; Siliziumdioxid; 91053-39-3; UNII-ETJ7Z6XBU4; 68855-54-9; Kieselsaeureanhydrid; Silica Gel, 40-63 Micron Particles; CHEBI:30563; SiO2; (SiO2)n; 43-63C; ETJ7Z6XBU4; Silicon dioxide, colloidal; 15723-40-7; ENT 25,550; [SiO2]; Silica, crystalline - fused; Silicagel; Silicon dioxide, amorphous gel; 13778-37-5; 13778-38-6; 17679-64-0; Silicondioxide; Silica gel desiccant, indicating; Celite; Sand, Ottawa; Sand, Sea; silica gel desiccant; MFCD00011232; MFCD00217788; Silica, mesostructured; Sillikolloid; Acticel; Aerosil 380; Amethyst; Aquafil; Carplex; Cataloid; Crysvarl; Extrusil; Flintshot; Nalcoag; Novaculite; Porasil; Santocel; Silikil; Silikill; Siloxid; Sipernat; Superfloss; Vulkasil; Cherts; Neosil; Neosyl; Snowit; Aerosil-degussa; Imsil; Metacristobalite; Silica vitreous; Zipax; Quartz silica; alpha-Quartz; Fossil flour; Fumed silica; Quartz dust; Rock crystal; Rose quartz; Silica dust; White carbon; Chromosorb P; Silica particles; Tiger-eye; Vulkasil S; Celite superfloss; Cristobalite dust; Snowtex O; Corasil II; Silver bond B; Cab-O-sperse; alpha-Cristobalite; alpha-Crystobalite; Calcined diatomite; Tokusil TPLM; Dri-Die; Gold bond R; Cabosil st-1; Manosil vn 3; Sil-Co-Sil; Ultrasil VH 3; Ultrasil VN 3; Aerosil bs-50; Aerosil K 7; Cabosil N 5; Carplex 30; Carplex 80; Pigment White 27; Siderite (SiO2); Snowtex 30; Syton 2X; Tridymite 118; Zeofree 80; Cab-O-grip II; Silicon(IV) oxide, amorphous; Tridimite [French]; Amorphous silica gel; HI-Sil; Tridymite (SiO2); Glass wool, for laboratory use; Positive sol 232; Aerogel 200; Aerosil 300; Amorphous silica dust; Ludox hs 40; Silanox 101; Silica (SiO2); Vitasil 220; Positive sol 130M; Siliceous earth, purified (NF); Siliceous earth, purified [NF]; Silicon Oxide Hollow Nanospheres; Aerosil A 300; Aerosil E 300; Aerosil M-300; Cristobalite (SiO2); Nyacol 830; Sibelite M 3000; Sibelite M 4000; Sibelite M 6000; Quazo puro [Italian]; Caswell No. 734A; Nalfloc N 1050; Quso 51; Sicron F 300; Sikron F 100; Spectrosil; Accusand; Coesite; Fuselex; Nalcast; Nyacol 1430; Optocil; Quartzine; Quarzsand; Rancosil; Suprasil; Tridimite; Silica, amorphous fused; Siltex; Vitreous quartz; Vitreous silica; Tridymite dust; W 12 (Filler); beta-Quartz; Fused quartz; MIN-U-sil alpha quartz; Quartz-beta; Quso G 30; Silica glass; Amorphous quartz; Dri-Die insecticide 67; Nalco 1050; Quazo puro; Silica, amorphous, fumed; Vitrified silica; MFCD00163736; Pyrogenic colloidal silica; Silica gel, spherical, 60 angstroms; Hydrophobic silica 2482; Silica, fused; Suprasil W; Vitreosil IR; Borsil P; Calcined diatomaceous earth; Silica gel, spherical, 100 angstroms; Silica gel, spherical, 300 angstroms; Silane, dioxo-; Crystallized silicon dioxide; Optocil (quartz); CP-SilicaPLOT; Diatomaceous earth, calcined; Silicon oxide, di- (sand); Quarzsand [German]; S-Col; Admafine SO 25H; Admafine SO 25R; Admafine SO 32H; Admafine SO-C 2; Admafine SO-C 3; Cristobalite asbestos; Keatite (SiO2); Sg-67; Silica, amorphous, fumed, cryst.-free; Fumed silica, crystalline-free; Stishovite (SiO2); ED-C (silica); Fuselex ZA 30; As 1 (silica); CCRIS 2475; CCRIS 3699; DQ12; Agate (SiO2); Celite 545; Dimethyl siloxanes and silicones; Fumed synthetic amorphous silica; Silica, crystalline - tridymite; FB 5 (silica); Fuselex RD 120; Corning 7940; Microcrystalline quartz; Synthetic amorphous silica, fumed; Denka F 90; Denka FB 30; Denka FB 44; Denka FB 74; Denka FS 30; Dri-Die 67; Silica gel spherical, 40-75 mum particle size; WGL 300; Cryptocrystalline quartz; FB 20 (silica); Elsil 100; F 44 (filler); D & D; SF 35; Elsil BF 100; F 125 (silica); F 160 (silica); Fuselex RD 40-60; Silica, amorphous, fused; Silicon dioxide, chemically prepared; EINECS 231-545-4; EINECS 238-455-4; EINECS 238-878-4; EINECS 239-487-1; HK 400; TGL 16319; Silica gel 60, 0.060-0.2mm (70-230 mesh); Silica, crystalline quartz; Silicon dioxide (vitreous); EPA Pesticide Chemical Code 072605; Silica 2482, hydrophobic; CI 7811; Silica, crystalline, quartz; Silica, crystalline: quartz; GP 7I; CAB-O-SIL N-70TS; Silica, crystalline tridymite; Kieselgel; Seesand; Silica, crystalline - quartz; AF-SO 25R; Quartz [Silica, crystalline]; Siilca; Zorbax; quartz-glass; Silicom dioxide; Silica flour (powdered crystalline silica); Silica, crystalline: tridymite; silica-gel; Fused-silica; Silica,fumed; AI3-25549; GP 11I; RD 8; silica-; Silica, fumed; U 333; W 006; Silicon di-oxide; Tridymite [Silica, crystalline]; CRS 1102RD8; Silica Dispersion; SiO2 Nanopowder; Silica gel G; Silica, crystalline: cristobalite; Silica, tridymite; SiO2 Nanospheres; Diatomaceous earth, flux-calcined, filter aid, treated with sodium carbonate, flux calcined; Silica gel 60 ADAMANT(TM) on TLC plates, with fluorescent indicator 254 nm; EF 10; FS 74; MR 84; Silica, crystalline - cristobalite; Silica Microspheres; Cristobalite [Silica, crystalline]; Amorphous silica: Pyrogenic (fumed); EINECS 262-373-8; Silica gel, ASTM; Silica Nanoparticles; Methyl3-oxohexanoate; Siliceous sand, CP; BF 100; EQ 912; QG 100; RD 120; Celite 503; Nettles p.e. extract; Silicon Dioxide Powder; Sea sand, acid washed; Silica, fumed, powder; Silicon dioxide (NF); Activated Silica Powder; Activated Silicon Oxide; Sand 50-70 mesh; F 44; Silica gel, large pore; Y 40; SiO2.xH2O; Hollow Silica Nanosphere; Silicon Oxide Dispersion; Silicon Oxide Nanopowder; Activated Silicon Dioxide; Celite (R) 545; Crystalline Silica Quartz; Silica gel, ACS reagent; Celite(R) 512 medium; Kieselguhr, -325 mesh; Silica, 99.8%; SBA-15 Molecular Sieve; Silicon dioxide Nanopowder; Diatomaceous earth, powder; DSSTox_CID_9677; Silicon Dioxide Dispersion; Epitope ID:158537; Silica, fumed, hydrophobic; Silicon Dioxide Nanospheres; Silicon Dioxide, Amorphous; Silicon Oxide Nanoparticles; EC 231-545-4; Celite(R) 503, CP; Celite(R) 535, CP; Celite(R) 545, CP; Nano Silicon Dioxide Powder; DSSTox_RID_78805; CELATOM(R) FW-60; DSSTox_GSID_29677; Silicon dioxide, acid washed; Silica, hydrate(8CI,9CI); Silicon(IV) oxide (SiO2); 99439-28-8; Silicon Dioxide, Precipitated; Silica fibers, 1/4'' long; Kieselguhr, calcined, purified; Silica gel, CP, blue, beads; Silica Nanoparticles Dispersion; Silica, fused, respirable dust; 25wt% Silicon Oxide in Water; AW Standard Super-Cel(R) NF; MCM-41; Silica gel, CP, mixed, beads; Silica gel, CP, white, beads; Silicates (<1% crystalline silica):Graphite, natural; Hyflo(R) Super-Cel(R), CP; CHEMBL3188292; DTXSID1029677; Filter agent, Celite(R) 545; Sand, white quartz, CP, beads; Quarz cryst., 0.6-1.3 mm; Silicon dioxide, colloidal (NF); Diatomaceous earth, flux-calcined; Silicon dioxide, SAJ first grade; Diatomaceous earth non-washed, CP; Silica Gel Dessicant (Grade 03); Silica gel, CP, blue, bead size; Filter agent, Celatom(R) FW-14; Filter agent, Celatom(R) FW-50; Filter agent, Celatom(R) FW-60; Filter agent, Celatom(R) FW-80; Silica, fused [Silica, amorphous]; Silicon dioxide, JIS special grade; Silicon Oxide Mesoporous Nanopowder; AMY37125; Chromosorb(R) G, 80-100 mesh; 2-Mercaptoethyl ethyl sulfide silica; Celite(R) 545 AW, reagent grade; Silica gel 60, 230-400 mesh; Silica Hollow Nanospheres Dispersion; Silicon(IV) oxide, electronic grade; Tox21_301288; MFCD00148266; MFCD00603035; MFCD02100519; MFCD06202255; MFCD07370733; Sand, white quartz, CP, crystalline; Silica gel, indicating, 6-16 mesh; Chromosorb(R) W/AW, 45-60 mesh; Light anhydrous silicic acid (JP17); Quarz fine, cryst., 0.4-0.8 mm; Silica gel, 70-200 mesh (TLC); Silica, fumed, powder, 0.008 mum; AKOS009085429; Silicon Dioxide Nanospheres Properties; DB11132; Iron Sulfide (FeS) Sputtering Targets; Silicon Dioxide Nanoparticle Dispersion; Glass spheres, 9-13 mum particle size; Quartz (silicon dioxide), silver, pure; s25266; Silica gel, CP, white, medium granules; Silica gel, technical grade, 3-9 mesh; Silica, mesostructured, HMS (wormhole); NCGC00257531-01; Sand, white quartz, purum p.a., powder; Silica gel orange, granular, 0.2-1 mm; SILICON DIOXIDE amorphous fumed silica; Silicon Oxide Nanoparticles / Nanopowder; Silicon(IV) oxide, powder, 0.5 micron; Silicon(IV) oxide, powder, 1.0 micron; Silicon(IV) oxide, powder, 1.5 micron; 14639-89-5; 92283-58-4; E551; Silica gel, CP, blue, bead size, medium; Silica gel, technical grade, 6-16 mesh; Silicon oxide powder, 99% Nano, 20 nm; CAS-7631-86-9; Silica gel desiccant, -3+8 mesh granules; Silica gel, 12-24 mesh (liquid drying); Silica gel, CP, mixed, bead size, medium; Silica gel, for column chromatography, 60; Silicon Dioxide Nanoparticles / Nanopowder; Celite(R) 281, filter aid, flux calcined; Celite(R) S, filter aid, dried, untreated; Chromosorb(R) W/AW-DMCS, 80-100 mesh; Quarz min. 99% powdered, up to 125  m; Silica gel desiccant, -6+12 mesh granules; Silicon dioxide, purum p.a., acid purified; White Silica Gel Beads, 3 mm (2-5 mm); FT-0624621; FT-0645127; FT-0689145; FT-0689270; FT-0696592; FT-0696603; FT-0697331; FT-0697389; FT-0700917; Quartz rod, fused, 2.0mm (0.079in) dia; Quartz rod, fused, 5.0mm (0.197in) dia; S0822; Silica gel, with 1-4 mm moisture indicator; Silica, amorphous, fumed (crystalline free); Silicon dioxide Nanopowder KH550 processing; Silicon dioxide Nanopowder KH570 processing; Silicon(IV) oxide, 99.0% (metals basis); Celite(R) 110, filter aid, flux calcinated; Celite(R) 512 medium, filter aid, calcined; Chromosorb(R) G/AW-DMCS, 100-120 mesh; Chromosorb(R) W/AW-DMCS, 120-140 mesh; K-411 Glass microspheres, NIST SRM 2066; Quartz rod, fused, 10.0mm (0.394in) dia; Silica gel, technical grade 40, 6-12 mesh; C18 Silica Gel, Endcapped, 60A, 40-63um; D05839; D06521; D06522; D78143; Sand, white quartz, 50-70 mesh particle size; Silica gel, large pore, P.V. ca. 1.65cc/g; Silica, mesostructured, MSU-F (cellular f"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11132	.	.	60.084	0	O2Si	34.1	18.3	.	3	0	2	O=[Si]=O	InChI=1S/O2Si/c1-3-2	VYPSYNLAJGMNEJ-UHFFFAOYSA-N
DG01796	Streptozocin	29327	"Streptozocin; STREPTOZOTOCIN; streptozosin; 18883-66-4; Zanosar; Estreptozocina; Streptozocine; Streptozocinium; Streptozocinum; 2-Desoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose; 66395-18-4; N-D-Glucosyl-(2)-N'-nitrosomethylurea; C8H15N3O7; alpha-Streptozocin; streptozotocin (stz); CHEBI:9288; 2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose; N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff; 2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose; UNII-8H27GUR065; 8H27GUR065; MFCD00006607; STZ; alkylating agent; NSC-85998; DSSTox_CID_1282; DSSTox_RID_76055; DSSTox_GSID_21282; binds to DNA; Zanosar (TN); SR-05000001720; 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose; 2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-D-glucopyranose; NCGC00016738-01; CAS-18883-66-4; Spectrum_000960; Streptozotocin - Zanosar; 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose; Prestwick3_000732; Spectrum2_000062; Spectrum3_001087; Spectrum4_001244; Spectrum5_001047; Epitope ID:134282; N-(Methylnitrosocarbamoyl)-alpha-D-glucosamine; SCHEMBL4748; Streptozocin; Streptozotocin; CHEMBL1603; BSPBio_000684; BSPBio_002734; KBioGR_001768; KBioSS_001440; MLS004774123; DivK1c_000531; SPECTRUM1500543; SPBio_000243; BPBio1_000754; Streptozocin (JAN/USAN/INN); DTXSID2021282; BCBcMAP01_000142; HMS501K13; KBio1_000531; KBio2_001440; KBio2_004008; KBio2_006576; KBio3_001954; NINDS_000531; HMS1921A07; HMS2092I09; HMS2097C06; HMS3714C06; Pharmakon1600-01500543; 2-Deoxy-2[[(methylnitrosoamino)-carbonyl]amino]-D-glucopyranose; ACT03364; ZINC3977737; Streptozocin, >=98.0% (HPLC); Tox21_110585; Tox21_201859; Tox21_302974; CCG-39870; NSC757321; s1312; AKOS025310730; Tox21_110585_1; DB00428; NSC-757321; IDI1_000531; SMP1_000282; NCGC00178500-01; NCGC00178500-02; NCGC00178500-03; NCGC00178500-04; NCGC00178500-07; NCGC00256594-01; NCGC00259408-01; 1-methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)urea; SMR001233317; SBI-0051517.P003; AB00513906; SW199198-2; C07313; D05932; AB00052092-03; AB00052092_04; AB00052092_05; 883S664; A937380; N-(METHYLNITROSOCARBAMOYL)-A-D-GLUCOSAMINE; Q257331; SR-01000939745; SR-01000939745-3; SR-05000001720-1; SR-05000001720-2; W-201687; Streptozocin, Vetec(TM) reagent grade, 98%, powder; Streptozocin, >=75% alpha-anomer basis, >=98% (HPLC), powder; alpha-D-Glucopyranose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-; WURCS=2.0/1,1,0/[a2122h-1a_1-5_2*NCNN=O/4C/3=O]/1/; 3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea; 1-Methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)urea; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9288	DB00428	.	.	265.22	2	C8H15N3O7	152	315	-1.4	18	5	8	CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O	"InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1"	ZSJLQEPLLKMAKR-GKHCUFPYSA-N
DG01797	"N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine"	36806	NULL	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	260.16	3	C12H15Cl2NO	21.3	237	3.6	16	1	2	CC(C)NCC1CC2=C(O1)C(=CC(=C2)Cl)Cl	"InChI=1S/C12H15Cl2NO/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10/h3,5,7,10,15H,4,6H2,1-2H3"	FCFGRTQYVIIVRZ-UHFFFAOYSA-N
DG01798	Cyperquat	39484	"Cyperquat; MPP+; 1-METHYL-4-PHENYLPYRIDINIUM; N-Methyl-4-phenylpyridine; 48134-75-4; N-Methyl-4-phenylpyridinium ion; 1-methyl-4-phenylpyridin-1-ium; N-Methyl-4-phenylpyridinium; Pyridinium,1-methyl-4-phenyl-; UNII-R865A5OY8J; CHEBI:641; R865A5OY8J; Cyperquat [ANSI]; Pyridinium, 1-methyl-4-phenyl-; 1 Methyl 4 Phenylpyridinium; CCRIS 2187; BRN 1618932; Cyperquat [ANSI:ISO]; SCHEMBL37321; CHEMBL311617; GTPL4568; DTXSID4058106; BDBM81945; ZINC967769; CAS_39484; NSC_39484; Pyridinium, 1-methyl-4-phenyl- (9CI); 5-20-07-00550 (Beilstein Handbook Reference); Q161645"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:641	.	.	DR01488	170.23	1	C12H12N+	3.9	141	2.7	13	0	0	C[N+]1=CC=C(C=C1)C2=CC=CC=C2	"InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1"	FMGYKKMPNATWHP-UHFFFAOYSA-N
DG01799	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone	47289	"64091-91-4; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; NNK (carcinogen); NNK; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-; 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone; UNII-7S395EDO61; N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; MFCD00274580; 4-Methylnitrosoamino-1-(3-pyridinyl)-1-butanone; 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone; N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine; 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one; CHEBI:32692; 7S395EDO61; 4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-(butanone); 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one; Ketone, 3-pyridyl 3-(N-methyl-N-nitrosamino)propyl; N-methyl-N-(4-oxo-4-(pyridin-3-yl)butyl)nitrous amide; N-Methyl-N-[4-oxo-4-(pyridin-3-yl)butyl]nitrous amide; 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one; CCRIS 1150; BRN 3548355; HSDB 7771; Ozone/NNK; 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosoamino)-4-(3-pyridyl)-1-butanone; 64091-50-5; DSSTox_CID_881; N-Nitrosonornicotine ketone; N-Nitrosonornicotine-ketone; DSSTox_GSID_20881; 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone; SCHEMBL454516; 1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-; CHEMBL2311069; DTXSID3020881; Nicotine-derived nitrosamine ketone; BCP32075; ZINC5239470; Tox21_303771; AKOS028109857; NCGC00163358-01; NCGC00357285-01; SY062201; CAS-64091-91-4; HY-126477; FT-0616837; FT-0672061; FT-0672062; A50811; Q6138931; 1-Butanone,4-(methylnitrosoamino)-1-(3-pyridinyl)-; 1-Butanone, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl); 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone #; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution; 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone, analytical standard; 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR0011	.	207.23	5	C10H13N3O2	62.6	221	0.8	15	0	5	CN(CCCC(=O)C1=CN=CC=C1)N=O	"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3"	FLAQQSHRLBFIEZ-UHFFFAOYSA-N
DG01800	Simvastatin	54454	"Simvastatin; 79902-63-9; Zocor; Synvinolin; Sinvacor; Denan; Lipex; MK-733; Sivastin; Lodales; Simvastatine; Cholestat; Colemin; Simovil; Medipo; Pantok; Simvastatina; Simvastatinum; Velostatin; Zocord; Zorced; Simvastatin lactone; Simvastatin (Zocor); Lipovas; Simcard; Simvacor; Simvoget; Rechol; Simlup; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; MK-0733; UNII-AGG2FN16EV; MK 733; 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one; AGG2FN16EV; CHEBI:9150; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; Labistatin; Coledis; Corolin; Nivelipol; Rendapid; Vasotenal; NSC-758706; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; C25H38O5; Simvastatine [French]; Simvastatinum [Latin]; Simvastatina [Spanish]; DSSTox_CID_3581; DSSTox_RID_77090; DSSTox_GSID_23581; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; Zosta; Simvast CR; DRG-0320; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; SMR000718785; MK 0733; CCRIS 7558; Zocor (TN); HSDB 7208; Simvastatin & Primycin; MK733; SR-05000001894; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; L 644128-000U; BRN 4768037; Kolestevan; Lipinorm; Modutrol; Simvotin; Sinvascor; Valemia; Eucor; MFCD00072007; Nor-Vastina; Simvastatin,(S); C10AA01; simvastatin predrug; (+)-Simvastatin; NCGC00016940-01; inactive simvastatin; Simvastatin [USAN:USP:INN:BAN]; TNP00259; Prestwick_171; Simvastatin- Bio-X; CAS-79902-63-9; KS-1113; Spectrum_001717; SpecPlus_000895; Prestwick0_000865; Prestwick1_000865; Prestwick2_000865; Prestwick3_000865; Spectrum2_001671; Spectrum3_000669; Spectrum4_000632; Spectrum5_001428; SCHEMBL2471; CHEMBL1064; BSPBio_000909; BSPBio_002337; KBioGR_001244; KBioSS_002197; MLS001304029; MLS001333077; MLS001333078; MLS002154038; MLS006011866; BIDD:GT0769; DivK1c_006991; SPECTRUM1504236; SPBio_001881; SPBio_002830; BPBio1_001001; GTPL2955; Simvastatin (JP17/USP/INN); Simvastatin, analytical standard; DTXSID0023581; BCBcMAP01_000007; KBio1_001935; KBio2_002197; KBio2_004765; KBio2_007333; KBio3_001557; RYMZZMVNJRMUDD-HGQWONQESA-; HMS1570N11; HMS1922H13; HMS2089D12; HMS2093E06; HMS2097N11; HMS2231N22; HMS3259B12; HMS3412P08; HMS3676P08; HMS3714N11; HMS3884G10; Pharmakon1600-01504236; ZINC3780893; Tox21_110696; Tox21_300400; BBL024390; BDBM50139181; CCG-39069; NSC633782; NSC758706; s1792; STK801938; AKOS005111006; AKOS015842733; Simvastatin, >=97% (HPLC), solid; Tox21_110696_1; AC-1530; DB00641; MCULE-8390617062; NC00719; NSC 758706; NSC-633782; MRF-0000729; NCGC00017324-01; NCGC00017324-02; NCGC00017324-03; NCGC00017324-04; NCGC00017324-05; NCGC00017324-07; NCGC00017324-08; NCGC00017324-09; NCGC00254418-01; 2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; BS164407; Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-; HY-17502; SBI-0206773.P001; Simvastatin 100 microg/mL in Acetonitrile; S0509; D00434; J10128; AB00053395-07; AB00053395-08; AB00053395-10; AB00053395_11; AB00053395_13; 902S639; A839783; Q670131; SR-05000001894-1; SR-05000001894-2; BRD-K22134346-001-05-8; BRD-K22134346-001-11-6; BRD-K22134346-001-15-7; Z1741982918; Simvastatin, British Pharmacopoeia (BP) Reference Standard; Simvastatin, European Pharmacopoeia (EP) Reference Standard; Simvastatin, United States Pharmacopeia (USP) Reference Standard; Simvastatin, Pharmaceutical Secondary Standard; Certified Reference Material; Simvastatin for peak identification, European Pharmacopoeia (EP) Reference Standard; (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyly-2,2-dimethyl butanoate; (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbu; (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9150	DB00641	DR1485	DR00435	418.6	7	C25H38O5	72.8	706	4.7	30	1	5	CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1"	RYMZZMVNJRMUDD-HGQWONQESA-N
DG01801	Adenosine	60961	"Adenosine; 58-61-7; Adenocard; Adenoscan; Adenine riboside; beta-D-Adenosine; Nucleocardyl; Adenosin; Boniton; Sandesin; Myocol; Adenine nucleoside; Adenocor; beta-Adenosine; 9-beta-D-Ribofuranosyladenine; 9-beta-D-Ribofuranosidoadenine; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; Adenosin [German]; USAF CB-10; 9beta-D-Ribofuranosyladenine; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Ade-Rib; Caswell No. 010B; Adenosine [USAN:BAN]; (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; beta-D-Ribofuranoside, adenine-9; 6-Amino-9beta-D-ribofuranosyl-9H-purine; SR 96225; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; CHEBI:16335; Quinquefolan B; D-Adenosine; 3H-adenosine; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; NSC 7652; Dehydran 240; UNII-K72T3FS567; Adenosine (Adenocard); AI3-52413; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; MFCD00005752; CHEMBL477; SR-96225; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; adenine-D-ribose; 9-.beta.-d-Ribofuranosyladenine; 5536-17-4; K72T3FS567; CCRIS 2557; Adenine-9-beta-D-ribofuranoside; NCGC00023673-05; Pallacor; DSSTox_CID_2558; DSSTox_RID_76628; DSSTox_GSID_22558; 109767-06-8; 133248-01-8; Adenine 9-beta-D-arabinofuranoside; .beta.-D-Adenosine; CAS-58-61-7; Adenocard (TN); Adenoscan (TN); 41547-82-4; SMR000058216; MEDR-640; Adenosine (JAN/USP); SR-05000001981; EINECS 200-389-9; Adenine-beta-D-arabinofuranoside; NSC 627048; NSC7652; Adenogesic; Adenosine [USAN:USP:BAN]; Adenin riboside; NSC-7652; .beta.-D-Ribofuranoside, adenine-9; 9-.alpha.-D-Arabinofuranosyladenine; MFCD00065471; NSC627048; b-D-Adenosine; HSDB 7774; SUN-Y4001; N6-Methylado; 1dgm; 1odi; 2fqy; 2ydo; 3axz; 4cki; 4ckj; Adenosine,(S); adenosine-N-15N; adenosine-8-13C; adenosine-9-15N; beta-delta-Adenosine; [U-14C]adenosine; 6-Amino-9.beta.-D-ribofuranosyl-9H-purine; 2gl0; 3ay0; 4pd9; Adenosine, >=99%; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; Spectrum2_001257; Spectrum3_000288; cid_191; SCHEMBL731; bmse000061; bmse000996; Epitope ID:140947; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; 9-ss-D-Ribofuranosyladenine; BSPBio_001796; .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; cid_60961; MLS000069638; MLS002153227; MLS006010946; SPECTRUM1500107; Adenine-9-ss-D-ribofuranoside; REGID_for_CID_60961; SPBio_001194; adenine-9beta-D-Ribofuranoside; GTPL2844; 9beta-delta-Ribofuranosyladenine; DTXSID1022558; BDBM14487; KBio3_001296; 9-beta-delta-Ribofuranosyladenine; EA6C60C2-6AFB-4264-A2F0-541373DB950E; 9-.beta.-D-Ribofuranosidoadenine; 9-beta-delta-Ribofuranosidoadenine; adenine-9beta-delta-Ribofuranoside; Bio1_000437; Bio1_000926; Bio1_001415; HMS1920A13; HMS2091G13; HMS2235E24; HMS3884O04; Pharmakon1600-01500107; ACT02616; ALBB-032827; AMY30083; XYA; ZINC2169830; 9-beta-delta-Arabinofuranosyladenine; Tox21_110891; AC7861; adenosine-2-13C-N,1,3-15N3; CCG-38824; NSC755857; s1647; AKOS015888594; Tox21_110891_1; AC-8229; AM83931; DB00640; MCULE-7071766082; NSC-755857; SDCCGMLS-0003108.P003; 9- -D-Ribofuranosyl-9H-purin-6-amine; 9beta-D-ribofuranosyl-9H-Purin-6-amine; NCGC00023673-03; NCGC00023673-04; NCGC00023673-06; NCGC00023673-07; NCGC00023673-10; NCGC00023673-20; NCGC00178869-03; 9-  -D-Ribofuranosyl-9H-purin-6-amine; AC-27494; AS-12664; Adenosine, Vetec(TM) reagent grade, 98%; SBI-0206673.P002; 9beta-delta-ribofuranosyl-9H-Purin-6-amine; DB-022408; 6-Amino-9beta-delta-ribofuranosyl-9H-purine; 9-.beta.-D-Ribofuranosyl-9H-purin-6-amine; 9-beta-delta-Ribofuranosyl-9H-purin-6-amine; A0152; 9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl-; C00212; D00045; AB00384349-11; AB00384349_13; AB00384349_14; Adenosine, BioReagent, suitable for cell culture; Q190012; UNII-F2 component OIRDTQYFTABQOQ-KQYNXXCUSA-N; SR-05000001981-1; SR-05000001981-2; Z1741978458; 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose; Adenosine, European Pharmacopoeia (EP) Reference Standard; Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC); 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose; Adenosine, United States Pharmacopeia (USP) Reference Standard; Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 142796-17-6; 158749-77-0; 177030-94-3; 244769-76-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16335	DB00640	DR0046	DR00904	267.24	2	C10H13N5O4	140	335	-1.1	19	4	8	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1"	OIRDTQYFTABQOQ-KQYNXXCUSA-N
DG01802	Delphinidin	68245	"Delphinidin chloride; 528-53-0; Delphinidin; Delphinidine; Delphinidol; Delfinidol chloride; Ephdine; 8012-95-1; UNII-EM6MD4AEHE; Delphinidin (chloride); 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride; EM6MD4AEHE; 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride; IdB 1056; 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride; CHEBI:38701; 3,3',4',5,5',7-Hexahydroxyflavylium chloride; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride; MFCD00016663; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride; Delphinidine; Delphinidol; Ephdine; IdB 1056;Delfinidol chloride; Delphinidin; CHEMBL590878; Delphinidin chloride, analytical standard; 3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride; CCRIS 2518; EINECS 208-437-0; C15H11O7.Cl; Delphinidinchloride; 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol; SCHEMBL22369; IdB-1056; DTXSID701019982; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride; BCP15819; HY-N2409; 6267AF; AKOS027326494; AC-35150; AS-78369; CS-0022610; FT-0645153; FT-0665679; Q367258; Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride (8CI); UNII-R911H793SU component FFNDMZIBVDSQFI-UHFFFAOYSA-N"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	CHEBI:38701	.	.	.	338.69	1	C15H11ClO7	122	380	.	23	6	7	C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]	"InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H"	FFNDMZIBVDSQFI-UHFFFAOYSA-N
DG01803	Chloroquinine phosphate	83818	"Chloroquinine phosphate; TCMDC-123988; Tanakan; 1446-17-9; Chloroquine monophosphate; Araten phosphate; Chloroin; Delagil; Khingamin; Miniquine; Resochin; Rivoquine; Tanakene; Arolen; Aralen diphosphate; Gontochin phosphate; Chloroquin diphosphate; Ipsen 225; Chloroquine, phosphate; NSC14050; NSC-14050; 3377 RP; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid; SN 7,618; EGb761; Resochin diphosphate; Quinoline, diphosphate; CQ; CHEMBL1326; SCHEMBL40829; DTXSID10932343; Pharmakon1600-01500179; NSC756681; AKOS025310652; NSC-756681; 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:1)-; Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:1); NCGC00180905-01; NCGC00180905-02; 941C583; WLN: T66 BNJ EMY1&3N2&2 IG &P2-O6; Q27268205; 1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2); 7-Chloro-4-[(4'-diethylamino-1-methylbutyl)amino]quinoline diphosphate; Quinoline, 7-chloro-4-[(4-diethylamino-1-methylbutyl)amino]-, diphosphate (6CI); Phosphoric acid--N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (1/1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01381	.	.	417.9	8	C18H29ClN3O4P	106	359	.	27	4	7	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O	"InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)"	AEUAEICGCMSYCQ-UHFFFAOYSA-N
DG01804	Catalpol	91520	"Catalpol; 2415-24-9; Catalpinoside; CHEMBL513223; CHEBI:69797; De(p-hydroxybenzoyl)catalposide; UNII-JCX5L7JIC2; JCX5L7JIC2; Catalposide, des-p-hydroxybenzoyl-; EINECS 219-324-0; Digitalis purpurea L; SCHEMBL420515; Catalpol, >=96% (HPLC); DTXSID60178850; HY-N0820; ZINC8234298; BDBM50259972; AKOS024264429; AC-8052; AM84820; CCG-208299; LMPR0102070007; NCGC00163523-01; (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside; AS-75213; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-; N1352; SR-05000002315; Q1050267; SR-05000002315-2; (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside; (1S,5R,6R)-2-[(1S,1bS,2S,5aR,6S)-6-hydroxy-1a-((S)-hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydro-1,3-dioxa-cyclopropa[a]inden-2-yloxy]-6-((S)-hydroxymethyl)-tetrahydro-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2), ]DEC-7-EN-10-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	362.33	4	C15H22O10	162	542	-3.2	25	6	10	C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1"	LHDWRKICQLTVDL-PZYDOOQISA-N
DG01805	Homocysteine	91552	"L-Homocysteine; homocysteine; 6027-13-0; (2S)-2-amino-4-sulfanylbutanoic acid; (s)-2-amino-4-mercaptobutanoic acid; UNII-0LVT1QZ0BA; 2-AMINO-4-MERCAPTO-BUTYRIC ACID; CHEBI:17588; L-2-Amino-4-mercaptobutyric acid; 0LVT1QZ0BA; CHEMBL469662; Hcy; MFCD00151320; homo-cys; H-Hcys-OH; Butyric acid, 2-amino-4-mercapto-; HCS; Homocysteine (VAN); 454-28-4; 2-amino-4-sulfanylbutanoate; EINECS 227-891-0; NSC 43117; NSC 118376; 2-Amino-4-mercaptobutyric acid (VAN); Butanoic acid, 2-amino-4-mercapto- (VAN); Butanoic acid, 2-amino-4-mercapto-, (S)-; Epitope ID:143650; SCHEMBL35837; 2-amino-4-mercapto-Butanoate; GTPL5198; DTXSID3041039; 2-amino-4-mercapto-DL-Butyrate; 2-amino-4-mercapto-Butanoic acid; ZINC895077; (S)-2-amino-4-mercapto-Butanoate; L-2-amino-4-mercapto-Butyric acid; (S)-2-Amino-4-mercaptobutyric acid; 2-amino-4-mercapto-DL-Butyric acid; BDBM50242405; DL-2-amino-4-mercapto-Butyric acid; L-Homocysteine, >=98.0% (NT); AKOS006272166; (S)-2-amino-4-mercapto-Butanoic acid; CS-W011063; DB04422; FS-6405; HY-W010347; Butyric acid, 2-amino-4-mercapto- (8CI); C00155; H-2800; I11579; Butyric acid, 2-amino-4-mercapto-, L- (8CI); A832662; Q26992833; UNII-S7IJP4A89K component FFFHZYDWPBMWHY-VKHMYHEASA-N"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:17588	DB04422	.	.	135.19	3	C4H9NO2S	64.3	86.1	-3.4	8	3	4	C(CS)[C@@H](C(=O)O)N	"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1"	FFFHZYDWPBMWHY-VKHMYHEASA-N
DG01806	Norcantharidin	93004	"Norcantharidin; 5442-12-6; Norcantharadine; 29745-04-8; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; Endothall anhydride; Hexahydro-4,7-epoxyisobenzofuran-1,3-dione; 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-; NCTD; (+/-)-Norcantharidin; 3,6-Endoxohexahydrophthalic anhydride; (+/-)-NCTD; 4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione; 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride; Isocantharidin; DEMETHYL-CANTHARIDIN; exo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; MFCD00213361; NSC-14003; NSC-59023; 3, hexahydro-; NSC 14003; Norcantharidin, solid; Spectrum_001667; 3,6-Endooxyphthalic anhydride, hexahydro-; SpecPlus_000904; Phthalic anhydride, hexahydro-3,6-endoxo-; 4,3-dione, hexahydro-; Spectrum2_001683; Spectrum3_001634; Spectrum4_000601; Spectrum5_001514; CHEMBL8327; Lopac0_000830; BSPBio_003327; KBioGR_001122; KBioSS_002147; Phthalic anhydride,6-endoxo-; MLS002153470; DivK1c_007000; SCHEMBL177729; SPECTRUM1504153; SPBio_001606; YSCH0101; 4,10-dioxatricyclo[5.2.1.0<2,6>]decane-3,5-dione; KBio1_001944; KBio2_002147; KBio2_004715; KBio2_007283; KBio3_002547; DTXSID30884158; HMS3262F21; HMS3370H07; 4,7-Epoxyisobenzofuran-1,3-dione; BCP09826; BCP25426; HY-N0585; NSC14003; NSC59023; Tox21_500830; WLN: T C555 A AO DVOVTJ; CCG-39454; NSC148536; s3759; STK424286; Hexahydro-3,6-epoxyphthalic anhydride; AKOS003267901; FS-4623; LP00830; MCULE-7561066553; NSC-148536; SDCCGSBI-0050807.P003; NCGC00015756-03; NCGC00015756-04; NCGC00015756-05; NCGC00015756-06; NCGC00015756-07; NCGC00015756-08; NCGC00015756-09; NCGC00015756-14; NCGC00094161-01; NCGC00094161-02; NCGC00094161-03; NCGC00094161-04; NCGC00094161-05; NCGC00094161-06; NCGC00261515-01; NCI60_001019; SMR000326693; DB-050518; CS-0009119; EU-0100830; FT-0614776; FT-0621477; FT-0626378; N1662; hexahydro-4,7-epoxy-2-benzofuran-1,3-dione; N 8784; 3,6-Endoxohexahydrophthalic anhydride, exo isomer; SR-01000076037; SR-01000076037-1; 4,10-dioxatricyclo[5.2.1.0 , ]decane-3,5-dione; BRD-A66914119-001-04-0; Q15425762; 4,10-Dioxa-tricyclo[5.2.1.02,6]decane-3,5-dione; 3-(5'-(4-(diphenylamino)phenyl)-[2,2'-bithiophen]-5-yl)cyclohex-2-enone; EXO-7-OXA-BICYCLO(2.2.1)-HEPTANE-2,3-DICARBOXYLIC ANHYDRIDE; Exo-cis-Hexahydro-4,7-epoxyisobenzofuran-1,3-dione; Endothall anhydride; 4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride; 51154-98-4; TIMTEC-BB SBB005955;4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-;4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	168.15	0	C8H8O4	52.6	246	-0.1	12	0	4	C1CC2C3C(C1O2)C(=O)OC3=O	"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2"	JAABVEXCGCXWRR-UHFFFAOYSA-N
DG01807	N6-Methyladenosine	102175	"N6-Methyladenosine; 1867-73-8; N-Methyladenosine; 6-Methyladenosine; N(6)-Methyladenosine; 6-Methylaminopurinosine; 6-Methylaminopurine riboside; 6-Methylaminopurine D-riboside; 6-Methylaminopurine ribonucleoside; (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol; N6-methyladenosine (m6A); (N-6)-Methyladenosine; UNII-CLE6G00625; M6A; CHEBI:21891; N(6)-monomethyladenosine; CHEMBL383144; CLE6G00625; NSC-29409; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-9H-purin-9-yl]oxolane-3,4-diol; (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol; NSC627045; 4rdn; 6MD; Prestwick_343; N6 -methyladenosine; Prestwick0_000338; Prestwick1_000338; Prestwick2_000338; Prestwick3_000338; Epitope ID:140951; SCHEMBL40634; BSPBio_000375; MLS002153780; SPBio_002296; BPBio1_000413; DTXSID6020858; HMS1569C17; HMS2096C17; HMS2234N05; HMS3713C17; HY-N0086; ZINC4245632; 2575AH; BDBM50163023; MFCD00005739; PDSP1_001030; PDSP2_001014; s3190; Adenosine, N-methyl- (8CI)(9CI); AKOS024260287; CCG-220338; CS-3285; GS-6701; NCGC00162241-01; NCGC00162241-02; NCGC00162241-04; NCGC00162241-09; SMR001233164; 6-methylamino-9-beta-D-ribofuranosyl-Purine; SW196617-3; 6-methylamino-9-beta-delta-ribofuranosyl-Purine; F12902; Purine, 6-methylamino-9-beta-D-ribofuranosyl-; J-700317; Q6951996; BRD-K81807412-001-03-1; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-3,4-diol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	281.27	3	C11H15N5O4	126	349	-0.4	20	4	8	CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	"InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1"	VQAYFKKCNSOZKM-IOSLPCCCSA-N
DG01808	Heliox	123812	"Heliox; helium;molecular oxygen; 58933-55-4; Helium, mixed with oxygen; Helium-oxygen mixture; Helium:oxygen mixture; Compressed gas, N.O.S.; Oxygen mixture with helium; Oxygen, mixed with helium; Heliox gas; Helium oxygen gas; Heliox, hyperbaric; Helium, mixt. with oxygen; Compressed gas, N.O.S. (helium, oxygen) gas; 70356-00-2"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	36.001	0	HeO2	34.1	0	.	3	0	2	[He].O=O	InChI=1S/He.O2/c;1-2	GWUAFYNDGVNXRS-UHFFFAOYSA-N
DG01809	Succinate	160419	"Succinate; Butanedioate; Succinate dianion; Butanedioic acid, ion(2-); 56-14-4; UNII-AJ326AG789; AJ326AG789; succ; monosuccinate; Butanedioate(2-); Succinate ion; succinate(2-); Succinate ion(2-); suc; Succinic acid, ion(2-); DTXSID4036772; CHEBI:30031; ANION STANDARD - SUCCINATE; STL302037; (-)OOC-CH2-CH2-COO(-); AKOS022140212; A802155; Q27104100"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	DR01246	116.07	1	C4H4O4-2	80.3	81.6	0.7	8	0	4	C(CC(=O)[O-])C(=O)[O-]	"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2"	KDYFGRWQOYBRFD-UHFFFAOYSA-L
DG01810	Tanshinone IIA	164676	"Tanshinone IIA; 568-72-9; Tanshinone II; Dan Shen Ketone; Tanshinone B; Tanshinon II; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione; UNII-4GPC9FQG6L; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione; Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; C19H18O3; 4GPC9FQG6L; MLS001048863; MFCD00238692; NSC686519; SMR000387068; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione; Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; tanshinone II A; SR-01000758926; NSC 686518; tanshinone-IIA; HSDB 8104; Tanshinone centoA; Tanshinone 2-A; Tanshinone Iia ,(S); BSPBio_001597; BSPBio_002426; KBioGR_000317; KBioSS_000317; MLS006011834; SPECTRUM1505824; CHEMBL187266; cid_164676; SCHEMBL2026738; Tanshinone IIA (Tanshinone B); BDBM83922; KBio2_000317; KBio2_002885; KBio2_005453; KBio3_000633; KBio3_000634; DTXSID60205352; CHEBI:108595; Bio2_000317; Bio2_000797; HMS1361P19; HMS1791P19; HMS1989P19; HMS2089H08; HMS2270D15; HMS3402P19; HMS3656C11; NP474; BCP28199; HY-N0135; Tanshinone IIA, analytical standard; ZINC1650576; BBL028449; s2365; STK801917; Tanshinone IIA, >=97% (HPLC); AKOS004120032; AC-1440; CCG-207955; CCG-208275; NSC-686519; IDI1_034067; NCGC00095709-01; NCGC00095709-02; NCGC00095709-03; NCGC00095709-04; NCGC00095709-05; NCGC00095709-06; NCGC00095709-08; AS-16136; NCI60_031209; S594; NCGC00095709-02!TANSHINONE IIA; FT-0652880; N1846; SW220025-1; T2987; 568T729; A831217; Q-100654; SR-01000758926-2; SR-01000758926-4; SR-01000758926-5; BRD-K00141480-001-03-0; Q27187517; Phenanthro[1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-; Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard; Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard; 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone; 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione; 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	294.3	0	C19H18O3	47.3	509	4.3	22	0	3	CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C	"InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3"	HYXITZLLTYIPOF-UHFFFAOYSA-N
DG01811	Angiotensin II	172198	"ANGIOTENSIN II; 4474-91-3; Angiotensin II human; Hypertensin; Human angiotensin II; Angiotensin II (human); Giapreza; Ang II; 5-L-Isoleucineangiotensin II; Angiotensin II (mouse); 5-Isoleucine-angiotensin II; Asp-Arg-Val-Tyr-Ile-His-Pro-Phe; DRVYIHPF; 1-8-Angiotensin I; Ile(5)-angiotensin II; Isoleucine5-angiotensin II; UNII-M089EFU921; CHEBI:2719; ANG-(1-8)Octapeptide; isoleucine(5)-angiotensin II; CHEMBL408403; M089EFU921; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Delivert; Angiotensin II (USAN); 11128-99-7; L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine; (2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid; N-(1-(N-(N-(N-(N-(N(2)-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine; ANGIOTENSINII,HUMAN; Angiotensin II, human; Angiotensin II, ile(5)-; Angiotensin ii [INN:JAN]; Hypertensin II; Angiotensin 2; Angiotensin II, 5-L-isoleucine-; Delivert (TN); C50H71N13O12; Angiotensin II heavy; Ile5-angiotensin II; Angiotensin II (rat); Angiotensin II (9CI); ANGIOTENSIN II-HUMAN; Angiotensin II acetate salt; SCHEMBL1189; Angiotensin II (human type); Angiotensin II [Sar1 Ile8]; GTPL2504; LJPC-501; SCHEMBL9013957; SCHEMBL20502357; DTXSID30196288; CHEBI:131170; ty-10721; Angiotensin II (human type) (JAN); BDBM50228195; BDBM50236697; AKOS016010178; ZINC169676920; DB11842; H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-OH; NCGC00167130-01; HY-13948; L-Phenylalanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-; Asp1-Arg2-Val3-Tyr4-Ile5-His6-Pro7-Phe8; C02135; C75211; D02014; DRVY-I*-HPF [I*= I(13C6,15N)]; A872469; Q412999; ANG-(1-8)Octapeptide, Hypertensin, 4474-91-3, Giapreza; Conalbumin (328-332), 1226776-54-0, RVPSL peptide; ProteoMass(TM) Angiotensin II MALDI-MS Standard, vial of 10 nmol; (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid; Alanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-3-phenyl-, L-; L-phenylalanine, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2719	.	.	.	1046.2	29	C50H71N13O12	409	1980	-1.7	75	13	15	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N	"InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1"	CZGUSIXMZVURDU-JZXHSEFVSA-N
DG01812	Anisomycin	253602	"Anisomycin; 22862-76-6; Flagecidin; (-)-Anisomycin; TCMDC-125504; (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate; Upjohn 204t3; UNII-6C74YM2NGI; (2R,3S,4S)-2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate; NSC76712; NSC 76712; NSC-76712; Anisomycin from Streptomyces griseolus; 2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate; 6C74YM2NGI; 1,4,5-Trideoxy-1,4-imino-5-(p-methoxyphenyl)-D-xylo-pentitol 3-acetate; [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate; MLS001066392; Anisomycin,streptomyces griseolus; CHEBI:338412; (2R,3S,4S)-2-[(4-Methoxyphenyl)methyl]-3,4-pyrrolidinediol 3-acetate; MFCD00077650; SMR000471874; 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate,(2R,3S,4S)-; 2-p-Methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidine; (2R,3S,4S)-2-((4-Methoxyphenyl)methyl)-3,4-pyrrolidinediol 3-acetate; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R,3S,4S)-; 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2R,3S,4S)-; ANM; Antibiotic PA-106; NSC 147340; SR-01000597397; GNF-Pf-4549; Wuningmeisu C; (2R,3S,4S)-2-(p-Methoxyphenylmethyl)-3-acetoxy-4-hydroxypyrrolidine; 6185-RBK-10; (-) Anisomycin; EINECS 245-269-7; BRN 0020705; Spectrum_001534; AI3-50846; Prestwick3_000412; Spectrum2_000632; Spectrum4_000748; Spectrum5_001495; 2-[(4-Methoxyphenyl)methyl]-3,4-pyrrolidinediol 3-acetate; CBiol_002064; BSPBio_000364; BSPBio_001436; KBioGR_001076; KBioSS_002014; ZINC954; 5-21-05-00523 (Beilstein Handbook Reference); DivK1c_000855; SPECTRUM1503906; SPBio_000624; (2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol-3-acetate; BPBio1_000402; CHEMBL423192; cid_253602; SCHEMBL2270183; DTXSID5040966; BDBM63919; HMS502K17; KBio1_000855; KBio2_002014; KBio2_004582; KBio2_007150; NINDS_000855; Bio1_000350; Bio1_000839; Bio1_001328; HMS1922K06; HMS2096C06; HMS2231E05; HMS3267L11; HMS3414L17; HMS3678L15; CCG-39185; (2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate; AKOS015916532; CS-4981; DB07374; SDCCGMLS-0066810.P001; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2alpha,3alpha,4beta))-; IDI1_000855; QTL1_000009; NCGC00025097-02; NCGC00025097-03; NCGC00025097-04; 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2-alpha,3-alpha,4-beta))-; AC-35125; AS-44380; HY-18982; NCI60_041689; AB00513833; B6674; A-7940; A927918; Anisomycin, Antibiotic for Culture Media Use Only; Q378498; SR-01000597397-1; SR-01000597397-3; BRD-K91370081-001-04-6; BRD-K91370081-001-17-8; 3, 2-(p-methoxybenzyl)-, 3-acetate, (2S,3R,4R)-; Anisomycin from Streptomyces griseolus, >=98% (HPLC), solid; (2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol 3-Acetate; (2R,3S,4S)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate; acetic acid [(2R,3S,4S)-4-hydroxy-2-p-anisyl-pyrrolidin-3-yl] ester; [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-3-yl] ethanoate; 3, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, [2S-(2.alpha.,3.alpha.,4.beta.)]-; 3,4-Pyrrolidinediol, 2-(p-methoxybenzyl)-, 3-acetate, (2S,3R,4R)- (8CI); acetic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester; [[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamicacidethylester; 11023-48-6"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB07374	.	.	265.3	5	C14H19NO4	67.8	302	0.9	19	2	5	CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O	"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1"	YKJYKKNCCRKFSL-RDBSUJKOSA-N
DG01813	Alpha-solanine	262500	"SOLANINE; alpha-Solanine; a-solanine; 20562-02-1; .alpha.-Solanine; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; 2-[5-Hydroxy-6-(hydroxymethyl)-2-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; SCHEMBL2380177; CHEMBL1975187; NSC96019; NSC-96019; NCI60_042141; FT-0645058; Q373791"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	868.1	8	C45H73NO15	241	1590	1.8	61	9	16	CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C	"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3"	ZGVSETXHNHBTRK-UHFFFAOYSA-N
DG01814	Cisplatinum	441203	"Cis-Platin; cis-DDP; Cisplatine; Cisplatino; Cisplatinum; Lederplatin; Briplatin; Cismaplat; Neoplatin; Platamine; Platinex; Randa; trans-platin; cis-Dichlorodiammineplatinum(II); Peyrone's salt; cis-Diamminedichloroplatinum; Peyrone's chloride; trans-Platinum(II) ammonium chloride; cis-[PtCl2(NH3)2]; trans-Dichlorodiammine platinum; trans-Platinumdiammine dichloride; CHEBI:27899; CHEBI:35852; TRANS-DIAMMINEDICHLOROPLATINUM; trans-Platinum(II) diamminedichloride; trans-DDP, 8; Cisplatin, 1; Epitope ID:194799; Epitope ID:194800; BDBM92386; cis-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloroplatinum; (SP-4-2)-diamminedichloroplatinum; trans-diamminedichloridoplatinum(II); (SP-4-1)-diamminedichloridoplatinum; (SP-4-2)-diamminedichloridoplatinum; AKOS025117566; DB00515; EU-0100918"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB12117	DR0332	DR00291	300.05	0	Cl2H6N2Pt+2	2	7.6	.	5	2	2	N.N.Cl[Pt+2]Cl	InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2	BSJGASKRWFKGMV-UHFFFAOYSA-L
DG01815	5-Ethynyl-2'-deoxyuridine	472172	"5-Ethynyl-2'-deoxyuridine; 61135-33-9; 2'-Deoxy-5-ethynyluridine; 5-Ethynyl-2'-dU; Uridine, 2'-deoxy-5-ethynyl-; UNII-G373S00W2J; EdU (5-ethynyl-2'-deoxyuridine); G373S00W2J; MFCD01675687; 5-ethynyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; 5'-Ethynyl-2'-deoxyuridine; 5-Ethynyl-dUrd; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 5-Ethynyl-dU; EDU; BRN 0756841; 5-EdU; 2'deoxy-5-ethynyluridine; EdU (ethynyldeoxyuridine); SCHEMBL868882; CHEMBL222932; DTXSID20976652; ZINC3794605; s1661; AKOS024462948; 5-Ethynyl-2'-deoxy-uridine (5-EdU); AC-32360; AS-59368; HY-118411; CS-0065850; C75857; 5-Ethynyl-2'-deoxyuridine, (EdU), AldrichCPR; J-700091; J-700347; Q4639590; 1-(2-Deoxypentofuranosyl)-5-ethynyl-4-hydroxypyrimidin-2(1H)-one; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	252.22	3	C11H12N2O5	99.1	463	-1.3	18	3	5	C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	"InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1"	CDEURGJCGCHYFH-DJLDLDEBSA-N
DG01816	Piperlongumine	637858	"Piperlongumine; Piplartine; 20069-09-4; Piperlongumin; UNII-SGD66V4SVJ; (E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one; PPLGM; CHEBI:8241; SGD66V4SVJ; MFCD00075706; 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-one; 5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone; BRD2293; Piplartin; BRD-2293; 2(1H)-Pyridinone, 5,6-dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-; (E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-one; 5,6-Dihydro-1-(1-oxo-3-[3,4,5-trimethoxyphenyl]-trans-2-propenyl)-2[1H]-pyridinone; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-trans-2-propenyl]-2(1H)-pyridinone; Piplartine;PPLGM; Prestwick_399; FERROUSFLUOBORATE; ST079382; Prestwick2_000604; Prestwick3_000604; Piperlongumine; Piplartine; BSPBio_000508; MLS002153903; SCHEMBL173092; SPECTRUM1505135; BPBio1_000560; CHEMBL465843; SCHEMBL2465593; 1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; ACon1_001541; CHEBI:92424; HMS1569J10; HMS2096J10; HMS2234K24; Piperlongumine, >=97% (HPLC); ZINC899053; BCP13030; EX-A2925; HY-N2329; 2659AH; BDBM50462013; NSC794671; s7551; AKOS024284776; CCG-214375; NSC-794671; 2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-; NCGC00096028-01; NCGC00096028-02; NCGC00096028-03; NCGC00096028-04; NCGC00096028-14; AC-32683; AS-74140; BP-25401; LS-14579; SMR001233252; CS-0021113; P2361; A14124; A920539; SR-01000841248; A1-00162; J-012992; N-(3,4,5-Trimethoxycinnamoyl)-D3-piperidin-2-one; Q7197361; SR-01000841248-2; BRD-K24132293-001-05-3; BRD-K24132293-001-09-5; BRD-K24132293-001-16-0; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridinone; 1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone #; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone, 9CI; 5,6-dihydro-1-[1-oxo-3-(3,4,5-triMethoxyphenyl)-allyl]-2(1H)-pyridinone; Prop-2-en-1-one, 3-(3,4,5-trimethoxyphenyl)-1-(2,3-dihydropyridin-6(1H)-one-1-yl)-; (2E)-1-(1,2,5,6-Tetrahydro-2-oxopyridine-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-one"	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	CHEBI:8241	.	.	.	317.34	5	C17H19NO5	65.099	473	2.1	23	0	5	COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O	"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+"	VABYUUZNAVQNPG-BQYQJAHWSA-N
DG01817	Isoliquiritigenin	638278	"Isoliquiritigenin; 961-29-5; 2',4,4'-Trihydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 4,2',4'-Trihydroxychalcone; 6'-deoxychalcone; 2',4',4-Trihydroxychalcone; isoliquirtigenin; UNII-B9CTI9GB8F; C15H12O4; Chalcone, 2',4,4'-trihydroxy-; B9CTI9GB8F; 13745-20-5; 42'4'-trihydroxychalcone; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; CHEMBL129795; GU17; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; CHEBI:310312; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; trans-2',4,4'-trihydroxychalcone; 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-; MFCD00075907; (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone; 1060-19-1; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one; GU 17; GU-17; SMR000112969; CCRIS 7676; SR-01000075499; EINECS 237-316-5; BRN 1914295; Isoliquiritigen; iso-Liquiritigenin; ILTG; ISLQ; Isoliquiritigenin, powder; Spectrum5_000612; (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; Lopac0_000681; BSPBio_003411; 1-08-00-00707 (Beilstein Handbook Reference); MLS000438943; MLS002207240; MLS006010045; BIDD:ER0235; SCHEMBL161168; SPECTRUM1504200; cid_638278; MEGxp0_001326; 2',4,4'-Trihydroxy-Chalcone; DTXSID2022466; 2'',4'',4-trihydroxychalcone; 2'',4,4''-trihydroxychalcone; ACon1_000047; CHEBI:94010; BCPP000201; HMS2233H18; HMS3262I03; 2,4''-dihydroxy-4-hydroxychalcone; BCP02312; HY-N0102; ZINC3869608; Tox21_500681; BDBM50042944; CCG-40334; CMLD3_000056; LMPK12120096; s2404; 2',4,4'-Trihydroxychalcone, 97%; Isoliquiritigenin, analytical standard; AKOS001590146; BCP9000795; CS-1745; DB03285; KS-5256; LP00681; MCULE-1557671934; SDCCGMLS-0066751.P001; SDCCGSBI-0050660.P004; NCGC00090504-01; NCGC00090504-02; NCGC00090504-03; NCGC00090504-04; NCGC00090504-05; NCGC00090504-06; NCGC00090504-07; NCGC00090504-08; NCGC00090504-24; NCGC00261366-01; AC-33981; O271; EU-0100681; I0822; N1288; SW219658-1; C08650; I 3766; I11575; 961I295; A845551; NCGC00090504-04!2',4,4'-Trihydroxychalcone; 2',4'-Dihydroxy-3-(p-hydroxyphenyl)-Acrylophenone; Q-100904; Q3155537; SR-01000075499-1; SR-01000075499-5; BRD-K33583600-001-03-9; BRD-K33583600-001-04-7; 1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one; (E)-1-[2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB03285	.	.	256.25	3	C15H12O4	77.8	331	3.2	19	3	4	C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O	"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+"	DXDRHHKMWQZJHT-FPYGCLRLSA-N
DG01818	Protirelin	638678	"Protirelin; Thyroliberin; 24305-27-9; Lopremone; Thyrotropin-releasing hormone; Thyrotropin releasing hormone; Rifathyroin; Synthetic TRH; Thypinone; TSH-releasing factor; TSH-releasing hormone; Thyrotropin-releasing factor; Thyrotropic-releasing factor; Thyrotropic releasing hormone; 5-Oxo-L-prolyl-L-histidyl-L-prolinamide; TRH; Abbott 38579; Thyroid releasing hormone; Thyrotropin-ReleasingHormone; Synthetic tsh-releasing factor; Synthetic tsh-releasing hormone; ABBOTT-38579; L-Pyroglutamyl-L-histidyl-L-prolineamide; UNII-5Y5F15120W; C16H22N6O4; Protirelin tartrate; FDA 1725; Protirelina; Ro 8-6270/9; L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-; 11096-37-0; 117217-40-0; CHEBI:35940; 24305-27-9 (free base); L-Pyroglutamyl-L-histidyl-L-prolinamide; 5Y5F15120W; Synthetic thyrotropin-releasing hormone; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; NCGC00160616-01; L-Pyroglutamyl-L-histidinyl-L-prolinamide; A-38579; (S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide; THYREL TRH; Protireline; Protirelinum; TRF; Protireline [INN-French]; Protirelinum [INN-Latin]; Protirelina [INN-Spanish]; Thyrothropin relasing hormone; Thyrefact; CCRIS 2593; trh-sr; Synthetic TRF; Relefact TRH; Relefact-TRH; NSC-760113; Protirelin [USAN:INN:BAN:JAN]; Stimu-TSH; Thyrotropin-releasing factor (pig); EINECS 246-143-4; PR 546; PR-546; Protirelin, synthetic; pGlu-His-Pro-NH2; Relefact TRH (TN); HOLO-TRANSFERRIN; PyroGlu-His-prolinamide; TSH-RF; 5-oxo-pro-his-pro-nh2; DSSTox_CID_3533; CHEMBL1472; DSSTox_RID_77067; DSSTox_GSID_23533; SCHEMBL33419; Thyrotrophin releasing hormone; [3H]-TRH; GTPL2139; GTPL3836; pyroglutamyl-histidyl-prolinamide; DTXSID0023533; Protirelin (JP17/USAN/INN); SCHEMBL19825647; [3H]TRH (human, mouse, rat); [3H]-thyrotropin-releasing hormone; BCP12450; HY-P0002; Thyrotropic hormone-releasing factor; ZINC4096261; Synthetic thyrotopin releasing factor; Thyrotropic hormone-releasing hormone; Tox21_111939; BDBM50072394; s4680; Synthetic thyrotropin-releasing factor; Thyrotrophic hormone releasing hormone; AKOS015994636; CCG-268193; DB09421; HS-2023; NSC 760113; L-Pyroglutamyl-L-histidyl-L-proline amide; CAS-24305-27-9; Thyroid-stimulating hormone-releasing factor; C03958; C74244; D00176; Prolinamide, 5-oxo-L-prolyl-L-histidyl-, L-; (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; 305T279; A858244; Q24726011; Thyrotropin releasing hormone, >=98% (HPLC), powder; Prolinamide, 1-[N-(5-oxo-L-prolyl)-L-histidyl]-, L-; Protirelin, European Pharmacopoeia (EP) Reference Standard; Thyrotropin releasing hormone, powder, gamma-irradiated, cell culture tested; Thyroliberin;Lopremone;Synthetic TRH;Thyrotropin-releasing hormone; Rifathyroin; (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide; (S)-N-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide; 1-(3-(1H-Imidazol-5-yl)-2-([(5-oxo-2-pyrrolidinyl)carbonyl]amino)propanoyl)-2-pyrrolidinecarboxamide #; 1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyrrolylcarboxamido)propanoyl]tetrahydro-1H-2-pyrrolecarboxamide; 2-Pyrrolidinecarboxamide, N-[1-[(2-carbamoyl-1-pyrrolidinyl)carbonyl]-2-imidazol-4-ylethyl]-5-oxo-,; 2-Pyrrolidinecarboxamide, N-[1-[(2-Carbamoyl-1-pyrrolidinyl)carbonyl]-2-imidazol-4-ylethyl]-5-oxo-, (S,S,S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35940	.	DR2128	.	362.38	6	C16H22N6O4	150	597	-2.5	26	4	5	C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N	"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1"	XNSAINXGIQZQOO-SRVKXCTJSA-N
DG01819	Gonadorelin	638793	"GONADORELIN; Luliberin; 33515-09-2; LH-Releasing hormone; LH-Releasing factor; Gonadorelina; Gonadorelinum; Luteostimulin; Fertagyl; Hypocrine; Gonadotropin-releasing factor; Luteinizing hormone-releasing factor; Gonadotropin-releasing hormone; Gonadoliberin I; Gonadorelin hydrochloride; Human gonadoliberin-i; GnRH-I; UNII-9O7312W37G; GnRH; 5-oxo-PHWSYGLRPGNH2; p-Glu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2; 9034-40-6; LH-RH; CHEBI:5520; Dirigestran; Gonadotropin-releasing hormone I; 9O7312W37G; Follicle-stimulating hormone-releasing factor; Luteinizing Hormone Releasing Hormone (LHRH); AY-24031; Gn-RH; Luforan; Lutrefact; Nialutin; Relefact; Lutal; Relisorm l; Mammalian GnRH; LH-FSH Releasing Hormone; Synthetic LRF; Dirigestran Spofa; Synthetic Gn-RH; Mammalian LH-RH; Synthetic LH-RF; Synthetic LH-RH; Porchine LH-RH; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide; LRF; Human LH-RH; Ovine LH-RH; LH-RH (swine); Synthetic gonadoliberin; Synthetic LH-FSH-RH; LH-RF; Gonadorelin [INN:BAN]; 71447-49-9; Synthetic LH-RH/FSH-RH; Gonadorelinum [INN-Latin]; LH-Releasing factor (pig); Porcine LH-releasing factor; Gonadorelina [INN-Spanish]; Synthetic LH-releasing factor; Synthetic LH-releasing hormone; LH-Releasing hormone (porcine); Luteinizing hormone-releasing factor (swine); Synthetic decapeptide FSH/LH-RH; HOE 471; Fertagyl (TN); Synthetic LH-FSH releasing hormone; Ovine gonadotropin-releasing hormone; EINECS 232-895-0; EINECS 251-553-1; Gonadorelin (INN); Gonadorelin decapeptide; Mammalian gonadotropin-releasing hormone; Synthetic gonadotropin-releasing hormone; AY 24031; AY 24034; Luteinizing hormone-releasing factor (pig); Luteinizing hormone-releasing factor (rat); Gonadotropin, pituitary luteinizing hormone; Luteinizing hormone-releasing factor (human); Luteinizing hormone-releasing factor (sheep); Luteinizing hormone-releasing hormone (swin); Synthetic gonadotropic hormone-releasing hormone; CHEMBL1007; Gonadotropin,luteinizing hormone-releasing hormone; Follicle-stimulating hormone-releasing factor (pig); SCHEMBL143114; Synthetic LH-releasing hormone/FSH-releasing hormone; [125I]-GnRH I; GTPL3786; DTXSID20873490; Gonadotropin, luteinizing hormone-releasing hormone, synthetic; BDBM50422274; AKOS015895122; AKOS030213247; CCG-270650; HS-2014; [125I]GnRH I (human, mouse, rat); [125I]-gonadotropin-releasing hormone I; Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolyl-; A1147; Luteinizing hormone-areleasing factor (swine); D08027; pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-GlyNH2; 515G092; A837181; pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH(2); Q20817116; Luteinizing hormone releasing hormone human acetate salt (LHRH); L-Pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5520	DB00644	.	.	1182.3	31	C55H75N17O13	475	2390	-2.4	85	16	15	CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6	"InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1"	XLXSAKCOAKORKW-AQJXLSMYSA-N
DG01820	Cardamonin	641785	"Cardamonin; 19309-14-9; 18956-16-6; CARDAMOMIN; Alpinetin chalcone; Dihydroxymethoxychalcone; 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; 2',4'-dihydroxy-6'-methoxychalcone; (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; UNII-H8KP1OJ8JX; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-; H8KP1OJ8JX; CHEMBL378104; (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; (E)-Cardamonin; (2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one; (E)-1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-phenyl-propenone; (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-prop-2-en-1-one; Cardamoni; (E)-Cardamoni; Cardamonin ,(S); 2'4'-Dihydroxy-6'-methoxy-chalcone; MLS000876992; SCHEMBL449220; MEGxp0_000534; Cardamonin, >=98% (HPLC); ACon1_000221; CHEBI:125601; CHEBI:186253; HMS2271N04; 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-; HY-N0279; ZINC4716487; BDBM50185446; LMPK12120245; MFCD00238554; s3867; AKOS015896716; CCG-208127; DB14122; MCULE-6098713539; NCGC00180767-01; AC-34864; DS-15713; SMR000440601; B7085; CS-0008777; W1234; 309C149; A813330; J-012229; Q-100234; Q5038242; BRD-K61559475-001-01-0; 1-(2\\',4\\'-Dihydroxy-6\\'-methoxy-phenyl)-3-phenyl-propenone; (2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one; NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB14122	.	.	270.28	4	C16H14O4	66.8	346	3.5	20	2	4	COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O	"InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+"	NYSZJNUIVUBQMM-BQYQJAHWSA-N
DG01821	IWP 4	2155264	"686772-17-8; IWP-4; IWP 4; wnt inhibitor iwp-4; 2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide; CHEMBL1257090; N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-3-(2-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl)thio]-acetamide; N-(6-Methylbenzo[d]thiazol-2-yl)-2-(3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamide; Inhibitor of Wnt Production-4; SCHEMBL12571760; C26H29ClN2O4S.H3PO4; EX-A2455; ZINC2719825; BDBM50428027; MFCD04457754; AKOS024584894; MCULE-3532196300; IWP-4, >=95% (HPLC); NCGC00387247-04; 2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide; AC-33202; AS-35152; BI162786; HY-12879; CS-0012738; EU-0088918; AB00668741-01; F0579-0237; N-[2-[[[3-(4-Chlorophenyl)-2-propen yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4 -methoxybenzenesulphonamide phosphate"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	496.6	6	C23H20N4O3S3	163	851	4.8	33	1	8	CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4	"InChI=1S/C23H20N4O3S3/c1-13-7-8-14-18(11-13)33-22(24-14)26-19(28)12-32-23-25-15-9-10-31-20(15)21(29)27(23)16-5-3-4-6-17(16)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)"	RHUJMHOIQBDFQR-UHFFFAOYSA-N
DG01822	Quercetin	5280343	"Quercetin; 117-39-5; Meletin; Sophoretin; Quercetine; Xanthaurine; Quercetol; Quertine; 3,3',4',5,7-Pentahydroxyflavone; Quercitin; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; Flavin meletin; 3,5,7,3',4'-Pentahydroxyflavone; Cyanidelonon 1522; T-Gelb bzw. grun 1; Quertin; C.I. Natural Yellow 10; Quercetin content; Kvercetin; C.I. Natural red 1; C.I. 75670; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 3',4',5,7-Tetrahydroxyflavan-3-ol; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; C.I. Natural yellow 10 & 13; Cyanidenolon 1522; NSC 9219; CCRIS 1639; HSDB 3529; Flavone, 3,3',4',5,7-pentahydroxy-; NCI-C60106; UNII-9IKM0I5T1E; 3',4',5,7-tetrahydroxyflavon-3-ol; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on; CHEBI:16243; AI3-26018; NSC9219; CHEMBL50; MFCD00006828; 9IKM0I5T1E; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; NSC-9219; Ericin; Kvercetin [Czech]; Natural Yellow 10; DSSTox_CID_1218; CI Natural Yellow 10; DSSTox_RID_76017; DSSTox_GSID_21218; QUE; BRD9794; BRD-9794; CAS-117-39-5; NSC57655; NSC58588; NSC-57655; SR-01000076098; EINECS 204-187-1; MixCom3_000183; BRN 0317313; Lipoflavon; CI 75670; Korvitin; Ritacetin; Quer; 4dfu; 4mra; Quercetin2H2O; KUC104418N; KUC107684N; 3,3',4,5,7-Pentahydroxyflavone; Quercetin-[d3]; LIM-5662; LNS-5662; TNP00070; TNP00089; 3'-hydroxykaempferol; KSC-23-76; Quercetin_sathishkumar; KSC-10-126; Quercetin (Sophoretin); Quercetin - Sophoretin; Spectrum_000124; Tocris-1125; 3cf8; BiomolKI_000062; Maybridge1_008992; Prestwick0_000507; Prestwick1_000507; Prestwick2_000507; Prestwick3_000507; Spectrum2_000059; Spectrum3_000642; Spectrum4_000807; Spectrum5_001389; Lopac-Q-0125; P0042; C.I. natural yellow 13; BiomolKI2_000068; Enicostemma Littorale Blume; UPCMLD-DP081; Q 0125; NCIOpen2_007628; NCIOpen2_007882; BIDD:PXR0007; Lopac0_000999; SCHEMBL19723; BSPBio_000433; BSPBio_001068; BSPBio_002243; KBioGR_000408; KBioGR_001293; KBioSS_000408; KBioSS_000584; 5-18-05-00494 (Beilstein Handbook Reference); MLS006011766; BIDD:ER0315; DivK1c_000485; SCHEMBL219729; SPECTRUM1500672; CU-01000012502-3; SPBio_000217; SPBio_002354; BDBM7460; BPBio1_000477; GTPL5346; MEGxp0_000381; SGCUT00001; 3,4',5,7-Pentahydroxyflavone; DTXSID4021218; NIOSH/LK8760000; UPCMLD-DP081:001; ACon1_000560; HMS501I07; KBio1_000485; KBio2_000408; KBio2_000584; KBio2_002976; KBio2_003152; KBio2_005544; KBio2_005720; KBio3_000775; KBio3_000776; KBio3_001463; 3,7,3',4'-Pentahydroxyflavone; NINDS_000485; 3',5,7-Tetrahydroxyflavan-3-ol; 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; Bio1_000369; Bio1_000858; Bio1_001347; Bio2_000374; Bio2_000854; HMS1362F09; HMS1792F09; HMS1923O19; HMS1990F09; HMS3263G19; HMS3267M12; HMS3414J21; HMS3649D04; HMS3656C15; HMS3678J19; to_000078; ZINC3869685; 3,5,7,3',4'-Pentahydroxyflavon; Tox21_202308; Tox21_300285; Tox21_500999; BBL005513; CCG-40054; Ci-75670; Flavone,3',4',5,7-pentahydroxy-; LMPK12110004; NSC 57655; NSC324608; NSC756660; s2391; STK365650; Quercetin, >=95% (HPLC), solid; 3,4',5,5',7-pentahydroxy-Flavone; AKOS000511724; Quercetin 1000 microg/mL in Acetone; CS-3981; DB04216; DS-3416; LP00999; MCULE-2433372790; NSC-756660; SDCCGSBI-0050972.P003; IDI1_000485; IDI1_002129; LDN 0052529; LDN-0052529; SMP1_000252; Flavone, 3,4',5,5',7-pentahydroxy-; NCGC00015870-01; NCGC00015870-02; NCGC00015870-03; NCGC00015870-05; NCGC00015870-06; NCGC00015870-07; NCGC00015870-08; NCGC00015870-09; NCGC00015870-10; NCGC00015870-11; NCGC00015870-12; NCGC00015870-13; NCGC00015870-14; NCGC00015870-15; NCGC00015870-16; NCGC00015870-17; NCGC00015870-18; NCGC00015870-19; NCGC00015870-21; NCGC00015870-22; NCGC00015870-23; NCGC00015870-24; NCGC00015870-25; NCGC00015870-28; NCGC00015870-48; NCGC00015870-50; NCGC00025016-01; NCGC00025016-02; NCGC00025016-03; NCGC00025016-04; NCGC00025016-05; NCGC00025016-06; NCGC00025016-07; NCGC00025016-08; NCGC00168962-01; NCGC00168962-02; NCGC00168962-03; NCGC00168962-04; NCGC00254218-01; NCGC00259857-01; NCGC00261684-01; Quercetin 100 microg/mL in Acetonitrile; 74893-81-5; AC-19596; AC-29756; HY-18085; NCI60_042036; S295; SMR000112559; SY057722; (+)-3,3',4',5,7-Pentahydroxyflavone; Quercetin, Sophoretin, Meletin, Quercetine; EU-0100999; FT-0603318; FT-0655108; LK87600000; N1841; Q0025; SW148203-4; Quercetin; 3,3',4',5,7-Pentahydroxyflavone; 17Q395; C00389; K00029; S00057; WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ; Flavone, 3,3',4',5,7-pentahydroxy-, (+)-; Q409478; Q-200333; SR-01000076098-1; SR-01000076098-3; SR-01000076098-7; SR-01000076098-8; BRD-K97399794-001-02-1; BRD-K97399794-001-07-0; BRD-K97399794-001-09-6; BRD-K97399794-001-11-2; BRD-K97399794-335-03-1; SR-01000076098-11; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate; 49643640-FD4C-4B93-BD28-0D7C2021CC52; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #; (+)-4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16243	DB04216	DR2630	DR00225	302.23	1	C15H10O7	127	488	1.5	22	5	7	C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H"	REFJWTPEDVJJIY-UHFFFAOYSA-N
DG01823	Formononetin	5280378	"Formononetin; 485-72-3; Biochanin B; Formononetol; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 7-Hydroxy-4'-methoxyisoflavone; 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one; Neochanin; 4'-O-methyldaidzein; Flavosil; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; UNII-295DQC67BJ; MFCD00016948; NSC 93360; 7-Hydroxy-3-(4-methoxyphenyl)chromone; CHEBI:18088; Isoflavone, 7-hydroxy-4'-methoxy-; NSC-93360; 295DQC67BJ; NSC93360; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; SMR000470932; SR-01000765510; EINECS 207-623-9; formononetine; Formonentin; Formoononetin; Myconate; Mycotech; 7-hydroxy-4'-methoxy-isoflavone; Formononetin,(S); Spectrum_000373; SpecPlus_000223; Daidzein 4-methyl ether; Spectrum2_000560; Spectrum3_000660; Spectrum4_001429; Spectrum5_000258; DSSTox_CID_2311; Formononetin (Formononetol); DSSTox_RID_76544; NCIOpen2_005983; DSSTox_GSID_22311; Oprea1_139748; Oprea1_815287; SCHEMBL62915; BSPBio_002299; KBioGR_001878; KBioSS_000853; SPECTRUM102007; MLS000697593; MLS006011897; BIDD:ER0119; DivK1c_006319; SPBio_000639; CHEMBL242341; 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one; DTXSID4022311; Formononetin, analytical standard; KBio1_001263; KBio2_000853; KBio2_003421; KBio2_005989; KBio3_001519; HMS1922N18; HMS2231I04; HMS3369C07; HMS3655N22; ALBB-030789; BCP29929; Formononetin, >=99.0% (TLC); HY-N0183; TNP00176; Tox21_301848; BBL010458; BDBM50021398; CCG-38727; LMPK12050037; s2299; STK801612; ZINC18847036; AKOS000270811; AC-8001; DB15335; MCULE-4171151967; SDCCGMLS-0066428.P001; 7-hydroxy-4'-methoxy-Isoflavone (8CI); NCGC00017269-01; NCGC00017269-02; NCGC00017269-03; NCGC00017269-04; NCGC00017269-05; NCGC00017269-06; NCGC00017269-07; NCGC00095207-01; NCGC00095207-02; NCGC00095207-03; NCGC00178715-01; NCGC00255167-01; AS-11642; CAS-485-72-3; NCI60_042081; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); Neochanin; Flavosil;NEOCHANIN;Formononetol; F0868; FT-0626540; FT-0632204; K-080; N1625; SW219915-1; C00858; AB00052676-07; 485F723; A827555; AE-641/01968055; Q408859; 7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one; Q-100540; SR-01000765510-3; SR-01000765510-4; BRD-K55567017-001-02-4; BRD-K55567017-001-06-5; F3139-1207; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); Formononetin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-3-(4-methoxyphenyl)chromone, 7-Hydroxy-4'-methoxyisoflavone; Biochanin B; Flavosil; Formononetol; NSC 93360; NSC93360; NSC-93360"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:18088	DB15335	.	DR00955	268.26	2	C16H12O4	55.8	395	2.8	20	1	4	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O	"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3"	HKQYGTCOTHHOMP-UHFFFAOYSA-N
DG01824	Mangostin	5281650	"Alpha-Mangostin; Mangostin; 6147-11-1; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one; Mangostine; Alpha-Mangostin, 95%; a-Mangostin; NSC27593; NSC30552; NSC-30552; UNII-U6RIV93RU1; U6RIV93RU1; CHEMBL323197; CHEBI:67547; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one; 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone; TNP00140; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one; MFCD00135200; 3,6,8-trihydroxy-2-methoxy-1,7-bis(3-methylbut-2-enyl)xanthen-9-one; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one; 9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; NSC 27593; NSC 30552; NSC 139154; Spectrum_001726; SpecPlus_000574; Spectrum2_001620; Spectrum3_001297; Spectrum4_001911; Spectrum5_000622; BSPBio_002933; KBioGR_002529; KBioSS_002206; BIDD:ER0576; DivK1c_006670; SCHEMBL354735; SPECTRUM1504015; SPECTRUM1505128; SPBio_001659; HSDB 8103; KBio1_001614; KBio2_002206; KBio2_004774; KBio2_007342; KBio3_002153; DTXSID00210420; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone; ACT09245; BCP13253; HY-N0328; ZINC5430812; alpha-Mangostin, >=98% (HPLC); 1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one; BDBM50214969; CCG-36465; NSC-27593; NSC139154; s3804; 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-; AKOS015912806; AC-6089; CS-6435; DS-3359; MCULE-1080742368; NSC-139154; SDCCGMLS-0066796.P001; 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one; NCGC00017251-01; NCGC00017251-02; NCGC00017251-03; NCGC00017251-04; NCGC00017251-05; NCGC00095730-01; NCGC00095730-02; NCGC00095730-03; NCGC00178385-01; DB-053898; FT-0635997; M2793; N1590; N2590; W2645; 147M111; A833244; Q909638; SR-05000002649; Q-100010; SR-05000002649-1; BRD-K11991978-001-02-6; BRD-K11991978-001-03-4; 1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone; 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-xanthenone; 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one; 2-methoxy-1,7-bis(3-methylbut-2-enyl)-3,6,8-tris(oxidanyl)xanthen-9-one; (c) paragraph sign-mangostin pound>>alpha-Mangostin; NSC 139154; NSC 27593; NSC 30552; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-; 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (9CI); Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (8CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:67547	.	.	.	410.5	5	C24H26O6	96.2	677	6.3	30	3	6	CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C	"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3"	GNRIZKKCNOBBMO-UHFFFAOYSA-N
DG01825	Morphine	5288826	"Morphine; Morphia; Morphium; Morphinum; Morphin; (-)-Morphine; Morphina; Ospalivina; DepoDur; 57-27-2; Duromorph; Meconium; Morphinism; Moscontin; MS Contin; l-Morphine; Dulcontin; Morfina; Nepenthe; Roxanol; MORPHINE SULFATE; Infumorph; Dreamer; Morpho; Avinza; Hocus; Kadian; Unkie; Cube juice; Hard stuff; Statex SR; Ms Emma; Morphin [German]; Morfina [Italian]; Duramorph; Morphina [Italian]; M-Eslon; Morphine [BAN]; CCRIS 5762; HSDB 2134; Anhydrous morphine; (5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol; UNII-76I7G6D29C; CHEBI:17303; CHEMBL70; (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; 4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol; 7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol; (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL; Morphine Anhydrate; 76I7G6D29C; Morphine (BAN); Dolcontin; RMS; (5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-; (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol; methyl[ ]diol; Aguettant; Dinamorf; Sevredol; Dimorf; (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; D-(-)-Morphine; 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-; EINECS 200-320-2; Oramorph; DEA No. 9300; (Morphine); Morphine anhydrous; N02AA01; Morphine polistirex; Substitol (TN); MOR; (-)-(etorphine); (-)Morphine sulfate; Morphine (anhydrous); Morfina Dosa (TN); NSC11441; Morphine extended release; Epitope ID:116646; SCHEMBL2997; BIDD:GT0147; GTPL1627; IDS-NM-009; DTXSID9023336; Morphine 0.1 mg/ml in Methanol; Morphine 1.0 mg/ml in Methanol; ZINC3812983; BDBM50000092; AKOS015966554; DB00295; MOI; C01516; D08233; Hydromorphone hydrochloride impurity, morphine-; Q81225; 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; UNII-1M5VY6ITRT component BQJCRHHNABKAKU-KBQPJGBKSA-N; 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol; 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine); (5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; 3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester; 6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine; (-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)-; Morphine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol; (1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol; (morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride; 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine)); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine sulfate); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine; 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol; 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine); 4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine); 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine); 9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-; MORPHINE; (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL; MORPHIUM; MORPHIA; DOLCONTIN; DUROMORPH; MORPHINA; NEPENTHE; Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17303	DB00295	DR1112	DR00467	285.34	0	C17H19NO3	52.9	494	0.8	21	2	4	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O	"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1"	BQJCRHHNABKAKU-KBQPJGBKSA-N
DG01826	Andrographolide	5318517	"Andrographolide; 5508-58-7; Andrographis; UNII-410105JHGR; CHEBI:65408; (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one; 410105JHGR; 3alpha,14,15,18-tetrahydroxy-5b,9bH,10a-labda-8(20),12-dien-16-oic acid gamma-Lactone; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one; 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one; Andro; (1R-(1-alpha(E(S)),4abeta,5alpha,6alpha,8aalpha))-3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-2(3H)-furanone; (3E,4S)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one; (3E,4S)-4-hydroxy-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one; HMPL-004; NSC383468; NSC-383468; NCGC00095597-01; EINECS 226-852-5; NSC 383468; Andrographolide, 98%; DSSTox_CID_25980; DSSTox_RID_81270; DSSTox_GSID_45980; HMPL004; BIDD:ER0530; CHEMBL186141; GTPL9675; MEGxp0_000978; DTXSID3045980; SCHEMBL12056309; ACon1_002113; ACT03252; Andrographolide, analytical standard; HY-N0191; ZINC3881797; Tox21_111508; BDBM50084419; MFCD07778082; AKOS015920075; CCG-208428; CS-3334; DB05767; MCULE-5521128905; NCGC00179817-01; NCGC00179817-02; 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-; AS-13637; CAS-5508-58-7; C20214; J10022; 508A587; A830479; Q-100624; Q4759444; BRD-K89282837-001-01-0; Andrographolide, United States Pharmacopeia (USP) Reference Standard; (3E)-3-[2-[(1R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one;Andrographolide; (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]-4-hydroxy-tetrahydrofuran-2-one; (5beta,9R,10alpha,14S)-3alpha,14,15,18-Tetrahydroxylabdane-8(20),12-diene-16-oic acid gamma-lactone; (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2; 2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-; 2(3H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-,(3E,4S)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:65408	DB05767	.	.	350.4	3	C20H30O5	87	597	2.2	25	3	5	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\\[C@@H](COC3=O)O)(C)CO)O	"InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1"	BOJKULTULYSRAS-OTESTREVSA-N
DG01827	Arsenic	5359596	"7440-38-2; Arsenic; As; ARSENIC METAL; UNII-V1I29R0RJQ; V1I29R0RJQ; Arsenic compounds; Agent SA; Arsenic, inorganic; HSDB 510; EINECS 232-066-3; UN2188; arsenico; arsenicum; arsenic atom; Arsenic lump; 33As; EC 232-066-3; CHEMBL1231052; DTXSID3023760; DTXSID4023886; CHEBI:27563; Arsenic, >=99.999%, pieces; Arsine [UN2188] [Poison gas]; 5482AF; AKOS015902733; LS41729; Arsenic, 99.999% trace metals basis; FT-0696579; C06269; Arsenic, powder, >=99.997% trace metals basis; Q21060492"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	DR0139	.	74.921	0	As	0	0	.	1	0	0	[As]	InChI=1S/As	RQNWIZPPADIBDY-UHFFFAOYSA-N
DG01828	Boron	5462311	"7440-42-8; B; Boron; Boron powder; UNII-N9E3X5056Q; N9E3X5056Q; MFCD00134034; Boron powder, crystalline; Boron, metallic; Boron and compounds; boro; Boron-elemental; Boron, elemental; Boron, Amorphous; 14798-13-1; HSDB 4482; EINECS 231-151-2; boracium; bore; boron atom; Boron Nanorods; Boron Chelate; Boron Nanopowder; Boron Nanoprisms; Boron Proteinate; Boron MicroPowder; Boron Nanoparticles; BORaN; Boron Micro Powder; 5B; Boron Citrate Blend; Boron Picolinate Blend; Boron powder, amorphous; Boron nitride nanoplates; Boron Krebs 5% 40M; Boron Nanorods Properties; Boron Glycinate 5% 40M; EC 231-151-2; Boron Trituration 1% 40M; Boron Nanoparticle Dispersion; Boron Nanoparticles Dispersion; Boron Nanopowder/Nanoparticles; boron citrate/aspartate/glycinate; Copper Sulfide Sputtering Target; DTXSID3023922; Hexagonal Boron Nitride crystals; Boron Nanoparticles / Nanopowder; Boron Nitride Nanotubes (BNNT); CHEBI:27560; Hexagonal Nitride Boron Nanoplates; MFCD00151272; AKOS015832923; AKOS030228749; Boron powder, crystalline, elec. gr.; Multilayer h-BN (Boron Nitride) film; Boron Citrate/Aspartate 5% 40M Bld; Boron powder, crystalline, -325 mesh; Boron, amorphous, powder, (submicron); DB11203; Boron amorphous B GRADE I (H gan s); Boron amorphous B GRADE II (H gan s); Boron amorphous B GRADE III (H gan s); Single Layer Hexagonal Boron Nitride Film; Boron crystalline B GRADE K1 (H gan s); Boron crystalline B GRADE K2 (H gan s); Boron crystalline B GRADE P1 (H gan s); Boron, >=95% (boron), amorphous powder; Boron, monofilament, 5m, diameter 0.1mm; Boron, monofilament, 5m, diameter 0.2mm; Boron crystalline B GRADE KT1 (H gan s); Boron, monofilament, 10m, diameter 0.1mm; Boron, monofilament, 10m, diameter 0.2mm; Boron, monofilament, 20m, diameter 0.1mm; Boron, monofilament, 20m, diameter 0.2mm; Boron, monofilament, 50m, diameter 0.1mm; Boron, monofilament, 50m, diameter 0.2mm; Boron, crystalline, 90-95%, -325 mesh; Boron, monofilament, 100m, diameter 0.1mm; Boron, monofilament, 200m, diameter 0.1mm; Y1405; METHYL-(2Z)3-IODO-2N-ACETYLCROTANOATE; Tantalum Pentoxide (Ta2O5) Sputtering Targets; Boron amorphous, Nano powder, 98.5%, <350 nm; Boron, purum p.a., >=99.0%, pieces, crystalline; Boron, crystalline, 1 cm, 99.7% trace metals basis; Boron, monofilament, 0.080 mm diameter, length 5 m; Q15634214; Boron, AAS solution standard, Specpure , B 1000 g/ml; Boron, crystalline, -60 mesh, 99% trace metals basis; Boron, monofilament, 0.080 mm diameter, length 10 m; Boron, monofilament, 0.080 mm diameter, length 100 m; Boron, monofilament, 0.080 mm diameter, length 20 m; Boron, monofilament, 0.080 mm diameter, length 50 m; Boron, monofilament, length 200 m, 0.080 mm diameter; Boron, Oil based standard solution, Specpure, B 1000g/g; Boron, Oil based standard solution, Specpure, B 5000g/g; Boron, plasma standard solution, Specpure , B 10,000 g/ml; Boron 11, 11B, plasma standard solution, Specpure, 11B 100g/ml; Boron, granule, 15 mm nominal granule size, weight 100 g, purity 99%; Boron, granule, 15 mm nominal granule size, weight 20 g, purity 99%; Boron, granule, 15 mm nominal granule size, weight 50 g, purity 99%; Boron, plasma standard solution, Specpure , B 1000 g/ml, H3BO3 in H2O; Boron, powder, 45 max. part. size (micron), weight 10 g, purity 98.%; Boron, powder, max. particle size 45 micron, weight 20 g, purity 98.%; Boron, powder, max. particle size 45 micron, weight 50 g, purity 98.%; Boron, plasma standard solution, Specpure , B 1000 g/ml, H3BO3 in 1% NH4OH; Boron, powder, mean particle size (fsss) 0.9 micron, weight 10 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 20 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 200 g, purity 95+%; Boron, powder, mean particle size (fsss) 0.9 micron, weight 50 g, purity 95+%; Boron, powder, mean particle size (fsss) 1 micron, weight 10 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 100 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 200 g, purity 92.1%; Boron, powder, mean particle size (fsss) 1 micron, weight 50 g, purity 92.1%; Boron, powder, weight 100 g, mean particle size (fsss) 0.9 micron, purity 95+%; Boron, powder, weight 20 g, mean particle size (fsss) 1 micron, purity 92.1%; Bor; Boron, microfoil, disks, 10mm, thinness 0.1mum, specific density 23.5mug/cm2, permanent mylar 3.5mum support, 99.6%; Boron, microfoil, disks, 25mm, thinness 0.1mum, specific density 23.5mug/cm2, 6 micron aluminum permanent support, 99.6%; Boron, microfoil, disks, 25mm, thinness 0.1mum, specific density 23.5mug/cm2, permanent mylar 3.5mum support, 99.6%"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB11203	.	.	10.81	0	B	0	0	.	1	0	0	[B]	InChI=1S/B	ZOXJGFHDIHLPTG-UHFFFAOYSA-N
DG01829	Glycylcysteine	7408690	Glycylcysteine; Gly-Cys; 57281-78-4; H-Gly-Cys-OH; Glycyl-Cysteine; glycyl-L-cysteine; (2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid; (R)-2-(2-Aminoacetamido)-3-mercaptopropanoic acid; Gly-L-Cys; SCHEMBL358953; CHEBI:73890; DTXSID30428632; Gc; ZINC4899852; MFCD00672396; AKOS006271691; Q27144214	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	178.21	4	C5H10N2O3S	93.4	162	-3.7	11	4	5	C([C@@H](C(=O)O)NC(=O)CN)S	"InChI=1S/C5H10N2O3S/c6-1-4(8)7-3(2-11)5(9)10/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1"	MFBYPDKTAJXHNI-VKHMYHEASA-N
DG01830	Bufalin	9547215	"Bufalin; 465-21-4; UNII-U549S98QLW; 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide; 3,14-Dihydroxy-bufa-20,22-dienolide; U549S98QLW; CHEBI:517248; 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide; 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one; 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Ch'an su; BUF; NSC 89595; BRN 5141601; (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide; SCHEMBL165666; CHEMBL399680; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-; DTXSID90873563; AMY40632; Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,; HY-N0877; ZINC4215121; HSCI1_000110; LMST01130001; s7821; AKOS015965454; CS-3694; SMP2_000290; AC-20197; AC-34068; BS-17080; C16922; BRD-K63606607-001-01-8; BRD-K63606607-001-02-6; Q18379323; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-; 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI); (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI); Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	386.5	1	C24H34O4	66.8	741	3.2	28	2	4	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O	"InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1"	QEEBRPGZBVVINN-BMPKRDENSA-N
DG01831	Afeletecan	9941008	"Afeletecan; Afeletecan free base; UNII-IX0QAD6RD2; IX0QAD6RD2; 215604-75-4; (S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ((4-(((2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)carbamothioyl)-L-histidyl-L-valinate; Afeletecan [INN]; CHEMBL2105857; Q27280930; [(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-2-[[4-[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxyphenyl]carbamothioylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoate; Camptothecin, ester with N-((p-((3-O-methyl-beta-L-fucopyranosyl)oxy)phenyl)thiocarbamoyl)-L-histidyl-L-valine"	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	896	14	C45H49N7O11S	268	1840	2.6	64	6	14	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CN=CN6)NC(=S)NC7=CC=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)OC)O	"InChI=1S/C45H49N7O11S/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64)/t23-,32-,34-,36+,37-,38+,42+,45-/m0/s1"	SLOJCSGNHWIKIG-JNYZSSQASA-N
DG01832	Polyphyllin I	11018329	"Polyphyllin I; 50773-41-6; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; CHEMBL3931203; HY-N0047; NSC805340; s9114; AKOS037515173; ZINC252491736; CCG-270534; NSC-805340; CS-0007105"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	855	8	C44H70O16	236	1570	1.5	60	8	16	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1	"InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1"	LRRDDWMXYOSKIC-IPKCVOQPSA-N
DG01833	Wnt agonist	11210285	"BML-284; Wnt Agonist; 853220-52-7; 2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxyphenyl)pyrimidine; N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; N4-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; BML 284; 2-Amino-4-[3,4-(methylenedioxy)benzylamino]-6-(3-methoxyphenyl)pyrimidine; Wnt agonist 1;AMBMP; SCHEMBL430891; Wnt agonist 1(BML-284); Wnt agonist 1 (BML-284); CHEMBL4303671; BML 284;BML284; CHEBI:125559; BCP17186; EX-A2428; HSCI1_000334; NSC762367; ZINC44063027; CCG-208089; CS-5516; NSC-762367; NCGC00386697-01; NCGC00386697-05; AS-56297; HY-19987; C76745; BRD-K42624714-001-01-7; Q27216172; N4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine; FW9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	350.4	5	C19H18N4O3	91.5	455	3.1	26	2	7	COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4	"InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)"	FABQUVYDAXWUQP-UHFFFAOYSA-N
DG01834	Erastin	11214940	"ERASTIN; 571203-78-6; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-Quinazolinone; 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one; MFCD09837984; 2-[1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one; CHEMBL401989; SCHEMBL4457820; Erastin, >=98% (HPLC); CHEBI:94287; AOB6043; DTXSID80458949; EX-A295; HMS3653K21; HMS3868M03; BCP27907; WXA20378; 2400AH; BDBM50376126; s7242; AKOS025147365; CCG-269987; CS-1675; Erastin - CAS 571203-78-6; SB19588; NCGC00351608-10; NCGC00351608-14; AS-55898; DA-42059; HY-15763; QC-11375; FT-0700333; SW208651-2; C21478; A869751; BRD-A25004090-001-01-9; BRD-A25004090-001-02-7; BRD-A25004090-001-06-8; Q27166099; 2-[1-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4-quinazolinone; 4(3H)-Quinazolinone, 2-[1-[4-[2-(4-chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-"	Patented	3	Patented Agent(s)	Patented	Small molecular drug	.	CHEBI:94287	.	.	.	547	8	C30H31ClN4O4	74.7	871	4.8	39	0	6	CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl	"InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3"	BKQFRNYHFIQEKN-UHFFFAOYSA-N
DG01835	Artenimol	11358077	"Alpha-Dihydroartemisinin; Dihydroartemisinin; Artenimol; 81496-81-3; UNII-X0UIV26ABX; X0UIV26ABX; 71939-50-9; 123930-80-3; (1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol; Dihydroartemisinin (DHA); (1S,4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-ol; CHEMBL511326; SCHEMBL18744731; CHEBI:168754; MFCD00236467; s2290; ZINC15449189; AKOS022168199; CCG-267307; NSC 758682; NCGC00346590-02; N1713; 496D813; Q-100792; Q27293233; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3,-j)-1,2-benzodioxepin-10-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11638	.	.	284.35	0	C15H24O5	57.2	415	2.5	20	1	5	C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C	"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1"	BJDCWCLMFKKGEE-KDTBHNEXSA-N
DG01836	Lipopolysaccharide	11970143	Lipopolysaccharide; Lipopolysaccharides; LPSLPS; NCGC00188939-01	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	4900	154	C205H366N3O117P5	1890	10000	-5	330	62	118	CCCCCCCCCCCCCCCC1[C@H](OC([C@H]([C@@H]1OC(=O)CC(CCCCCCCCCCC)O)O)CO[C@H]2[C@H](C([C@@H](C(O2)CO[C@@]3(CC([C@H](C(O3)C(CO)O)O[C@H]4[C@@H](C([C@@H](C(O4)C(CO)O)OP(=O)(O)OP(=O)(O)OCCN)O[C@@H]5[C@@H](C([C@@H](C(O5)C(CO[C@@H]6[C@@H](C([C@](CO6)(C(CO)O)O)O)O)O)OP(=O)(O)O)O[C@@H]7C(C([C@@H](C(O7)CO[C@@H]8C(C([C@H](C(O8)CO)O)O)O)O)O[C@@H]9C(C([C@H](C(O9)CO)O)O)O[C@@H]1C(C([C@@H](C(O1)CO)O[C@@H]1C(C([C@H](C(O1)CO)O)OC1[C@@H](C(C([C@@H](O1)C)O[C@@H]1C(C([C@@H](C(O1)CO)O)O[C@@H]1C(C[C@H](C(O1)C)O)O)O[C@@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)O)O)O[C@@H]1[C@H](C([C@@H](C(O1)CO)O)O)NC(=O)C)O)O)O)O[C@@]1(CC([C@H](C(O1)C(CO)O)O)O[C@@]1(CC([C@H](C(O1)C(CO)O)O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)CP(=O)(O)O	"InChI=1S/C205H366N3O117P5/c1-10-16-22-28-34-40-42-43-45-50-55-61-67-73-109-130(101-326(269,270)271)292-127(147(245)164(109)302-135(235)78-106(222)70-64-58-52-46-36-30-24-18-12-3)98-283-186-138(208-132(232)79-107(71-65-59-53-47-37-31-25-19-13-4)290-133(233)74-68-62-56-49-39-33-27-21-15-6)173(303-136(236)80-108(72-66-60-54-48-38-32-26-20-14-5)291-134(234)75-69-63-57-51-44-41-35-29-23-17-11-2)172(322-327(272,273)274)129(301-186)100-286-203(199(262)263)84-119(318-205(201(266)267)83-118(144(242)166(320-205)114(227)86-210)317-204(200(264)265)82-112(225)139(237)165(319-204)113(226)85-209)171(169(321-203)116(229)88-212)308-194-161(259)178(182(167(305-194)115(228)87-211)324-330(280,281)325-329(278,279)287-77-76-206)313-195-160(258)177(181(323-328(275,276)277)168(306-195)117(230)97-282-188-162(260)184(261)202(268,102-285-188)131(231)96-220)312-193-159(257)175(148(246)128(300-193)99-284-189-154(252)150(248)141(239)121(90-214)294-189)310-196-179(152(250)143(241)123(92-216)297-196)315-197-180(314-187-137(207-105(9)221)149(247)140(238)120(89-213)293-187)157(255)170(126(95-219)299-197)307-192-158(256)174(145(243)124(93-217)296-192)309-190-156(254)153(251)163(104(8)289-190)304-198-183(316-191-155(253)151(249)142(240)122(91-215)295-191)176(146(244)125(94-218)298-198)311-185-111(224)81-110(223)103(7)288-185/h103-104,106-131,137-198,209-220,222-231,237-261,268H,10-102,206H2,1-9H3,(H,207,221)(H,208,232)(H,262,263)(H,264,265)(H,266,267)(H,278,279)(H,280,281)(H2,269,270,271)(H2,272,273,274)(H2,275,276,277)/t103 ,104-,106 ,107 ,108 ,109 ,110+,111 ,112 ,113 ,114 ,115 ,116 ,117 ,118 ,119 ,120 ,121 ,122 ,123 ,124 ,125 ,126 ,127 ,128 ,129 ,130+,131 ,137-,138-,139+,140+,141-,142-,143-,144+,145-,146+,147+,148+,149 ,150 ,151 ,152 ,153 ,154 ,155 ,156+,157 ,158 ,159 ,160+,161+,162+,163 ,164+,165 ,166 ,167 ,168 ,169 ,170+,171+,172+,173 ,174 ,175 ,176 ,177 ,178 ,179 ,180 ,181+,182+,183 ,184 ,185+,186+,187+,188-,189-,190 ,191+,192+,193+,194-,195+,196+,197+,198+,202-,203+,204+,205+/m0/s1"	YPXVSQSYDIMPDZ-AUUHBOKRSA-N
DG01837	BTI-2571E	11970413	"3-(4-Methylsulfonylstyryl)-1,2,4-oxadiazole; 24664-14-0; 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-1,2,4-oxadiazole; Bti 2571E; Bti 2571(E); SCHEMBL11763943; BTI-2571E; BTI-2571(E); (E)-BTI-2571; 1,2,4-Oxadiazole, 3-(2-(4-(methylsufonyl)phenyl)ethenyl)-, (E)-"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	250.28	3	C11H10N2O3S	81.4	367	1.7	17	0	5	CS(=O)(=O)C1=CC=C(C=C1)/C=C/C2=NOC=N2	"InChI=1S/C11H10N2O3S/c1-17(14,15)10-5-2-9(3-6-10)4-7-11-12-8-16-13-11/h2-8H,1H3/b7-4+"	IYACHGURRCRVBZ-QPJJXVBHSA-N
DG01838	Aspirin CD3	12280114	"Aspirin CD3; Acetylsalicylic acid-d3; 921943-73-9; Aspirin-d3; UNII-7F6Y89636M; Acetylsalicylic Acid;ASA; 2-(2,2,2-trideuterioacetyl)oxybenzoic acid; 7F6Y89636M; Trideuteriomethylaspirin; Benzoic acid, (acetyl-2,2,2-D3-oxy)-; [2H3]-Acetylsalicylic acid; 2-(Acetoxy-d3)benzoic acid; HY-14654S; MFCD09752106; CS-0214015; A935842; Acetylsalicylic acid-(methyl-d3), analytical standard; Q27268193"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB00945	.	.	183.18	3	C9H8O4	63.6	212	1.2	13	1	4	[2H]C([2H])([2H])C(=O)OC1=CC=CC=C1C(=O)O	"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3"	BSYNRYMUTXBXSQ-FIBGUPNXSA-N
DG01839	Astragaloside IV	13943297	"Astragaloside IV; 84687-43-4; Astragaloside A; Cyclosiversioside F; UNII-1J6XA9YCFV; 1J6XA9YCFV; CHEBI:65457; (2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 83207-58-3; (2R,3R,4S,5S,6R)-2-[[(1S,3R,8R,9S,11S,12S,14S,15R,16R)-14-Hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 3-O-beta-D-xylopyranosyl-6-O-beta-D-glucopyranosylcycloastragenol; C41H68O14; AS-IV; MFCD16036240; Cyclosieversioside F; AST-IV; Astragaloside IV 95%; Astragaloside IV, >98.0%; CHEMBL3121562; SCHEMBL21888259; HMS3885E12; HY-N0431; s3901; AKOS025311424; ZINC238809356; CCG-270470; AS-19402; beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl; K514; X7614; C17799; 846A434; Q27133900; Astragaloside IV, European Pharmacopoeia (EP) Reference Standard; Astragaloside IV, United States Pharmacopeia (USP) Reference Standard; (2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	785	7	C41H68O14	228	1460	1.3	55	9	14	C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O	"InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1"	QMNWISYXSJWHRY-YLNUDOOFSA-N
DG01840	Ceruletide	16129675	"Caerulein; Ceruletide; 17650-98-5; Cerulein; Ceruletida; Ceruletidum; 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide; UNII-888Y08971B; FI-6934; CHEBI:59219; Tymtran; 888Y08971B; Ceruletidum [INN-Latin]; Ceruletida [INN-Spanish]; Ceruletide [USAN:INN:BAN]; 5-oxo-L-prolyl-L-glutaminyl-L-a-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-a-aspartyl-L-phenylalaninamide; CCRIS 3063; Ceruletide (USAN/INN); Caerulein, sulfated; FI-6934Caerulein; 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen sulfate) (ester); SCHEMBL29520; GTPL7589; CHEMBL1201355; DTXSID8040434; HY-A0190; Pyr-QD-Tyr(SO3H)-TGWMDF-NH2; MFCD00076478; CS-5876; DB00403; AS-56061; C73362; D03442; Q5065299; (3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59219	DB00403	.	.	1352.4	38	C58H73N13O21S2	585	2840	-3	94	17	22	C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O	"InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1"	YRALAIOMGQZKOW-HYAOXDFASA-N
DG01841	Rhodium trichloride hydrate	16211510	"Rhodium trichloride hydrate; Rhodium(III) chloride xhydrate; CDDP;cis-Diaminodichloroplatinum; Cl3H2ORh; trichlororhodium hydrate; trichlororhodium;hydrate; rhodium chloride hydrate; rhodiumtrichloride hydrate; Rhodium(III) chloride 3-hydrate; BCP26055; 0627AB; AKOS015924295; Rhodium chloride (RhCl3), hydrate (9CI); Rhodium(III) chloride hydrate, Rh =>39%; Rhodium(III) chloride hydrate, Rh 38-40 %; A814863; trichlororhodium hydrate;Rhodium(III) Chloride Hydrate; Rhodium(III) chloride hydrate, 99.98% trace metals basis; Rhodium(III) chloride hydrate, Rh =>39% trace metal grade 99.99%; Rhodium(III) chloride hydrate, crystalline, >=99.9% trace metals basis"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00515	.	.	227.28	0	Cl3H2ORh	1	8	.	5	1	1	O.Cl[Rh](Cl)Cl	InChI=1S/3ClH.H2O.Rh/h3*1H;1H2;/q;;;;+3/p-3	HSSMNYDDDSNUKH-UHFFFAOYSA-K
DG01842	YK-4-279	44632017	"YK-4-279; 1037184-44-3; YK 4-279; 4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one; 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one; CHEMBL2011500; 4,7-Dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indol-2-one; C17H13Cl2NO4; 4,7-dichloro-1,3-dihydro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-2H-indole-2-one; MLS006010813; SCHEMBL3486735; CHEBI:94301; DTXSID80660065; EX-A524; HMS3741G19; AOB87740; BCP13213; BDBM50379275; MFCD18382120; NSC765436; s7679; AKOS024457962; CCG-268236; CS-0667; NSC-765436; YK4-279; NCGC00346886-01; NCGC00346886-04; NCGC00346886-09; AC-33063; AS-17053; HY-14507; QC-11745; SMR004701745; FT-0753857; Y0289; F51067; BRD-A62182663-001-02-2; Q27166120; 4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one(YK-4-279)"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	366.2	4	C17H13Cl2NO4	75.6	509	3.1	24	2	4	COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O	"InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)"	HLXSCTYHLQHQDJ-UHFFFAOYSA-N
DG01843	Chembl2042164	44776615	"CHEMBL2042164; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol; BDBM50524391; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol (non-preferred name); (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)purin-9-yl]tetrahydrofuran-3,4-diol; ERS"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	412.4	4	C20H24N6O4	120	574	1.3	30	3	9	C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	"InChI=1S/C20H24N6O4/c27-10-14-16(28)17(29)20(30-14)26-12-23-15-18(21-11-22-19(15)26)25-8-6-24(7-9-25)13-4-2-1-3-5-13/h1-5,11-12,14,16-17,20,27-29H,6-10H2/t14-,16-,17-,20-/m1/s1"	FVRJZHPJEJJPPT-WVSUBDOOSA-N
DG01844	5-FU-CDDP	56842080	5-FU-CDDP protocol; 5-FU-CDDP regimen; 5-FU-CDDP; SCHEMBL5916102; Cisplatin regimen with Fluorouracil; C112530000	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	428.11	0	C4H7Cl2FN4O2Pt	60.2	206	.	14	4	5	C1=C(C(=O)NC(=O)N1)F.[NH2-].[NH2-].Cl[Pt+2]Cl	"InChI=1S/C4H3FN2O2.2ClH.2H2N.Pt/c5-2-1-6-4(9)7-3(2)8;;;;;/h1H,(H2,6,7,8,9);2*1H;2*1H2;/q;;;2*-1;+4/p-2"	LVOCGPWBRTUSAU-UHFFFAOYSA-L
DG01845	Nonesterified	57426056	"NEFA; JMF9RU2BLC; UNII-JMF9RU2BLC; Fatty Acids, Nonesterified; SCHEMBL15273327; Q6953452; (4aR,9aS)-N-Ethyl-4,4a,9,9a-tetrahydro-1H-fluoren-4a-amine; 4Ah-fluoren-4a-amine, N-ethyl-1,4,9,9a-tetrahydro-, (4ar-cis)-; 127140-88-9"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	213.32	2	C15H19N	12	283	3	16	1	1	CCN[C@]12CC=CC[C@H]1CC3=CC=CC=C23	"InChI=1S/C15H19N/c1-2-16-15-10-6-5-8-13(15)11-12-7-3-4-9-14(12)15/h3-7,9,13,16H,2,8,10-11H2,1H3/t13-,15+/m0/s1"	DRCWOKJLSQUJPZ-DZGCQCFKSA-N
DG01846	Hydrochloride	69797958	"(E)-SIS3; SMAD3; (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one;hydrochloride; DS-015902"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	490	5	C28H28ClN3O3	56.6	724	.	35	1	4	CN1C(=C(C2=C1N=CC=C2)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5.Cl	"InChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H"	CDKIEBFIMCSCBB-UHFFFAOYSA-N
DG01847	Insulin recombinant	70678557	"9004-10-8; Iletin; Endopancrine; Decurvon; Dermulin; Humilin; Insular; Insulyl; Iszilin; Musulin; insulin-human; Dal-insulinum; Intesulin B; AERx; Insulin, dalanated; Insulina dalanatada; Insulinum dalanatum; Imusay-131; INSULIN INJECTION; Dalanated insulin [INN]; Insulina iniettabile neutra; Insulini injectio neutralis; Injectable insulini neutrale; Inyectable neutro de insulina; CCRIS 5464; HSDB 3102; Insulin, dalanated [USAN:INN]; Insulinum dalanatum [INN-Latin]; AERx [Insulin management system]; Insulina dalanatada [INN-Spanish]; Solute neutre injectable d'insuline; HMR 4006; Insulina iniettabile neutra [DCIT]; EINECS 232-672-8; S.N. 44; Insulini injectio neutralis [INN-Latin]; Inyectable neutro de insulina [INN-Spanish]; Solute neutre injectable d'insuline [INN-French]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00030	.	DR00408	5794	178	C256H381N65O77S6	2450	14600	-12.8	404	78	89	CC[C@@H](C)[C@H]1C(=O)N[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)CC)NC(=O)CN	"InChI=1S/C256H381N65O77S6/c1-29-130(23)202(311-190(337)103-258)250(391)315-200(128(19)20)246(387)286-158(75-82-197(347)348)216(357)281-154(70-77-186(261)333)220(361)306-181-115-402-403-116-182-241(382)303-176(110-323)238(379)293-161(88-122(7)8)224(365)294-167(95-139-53-61-145(328)62-54-139)227(368)282-153(69-76-185(260)332)217(358)289-160(87-121(5)6)222(363)283-157(74-81-196(345)346)219(360)301-173(101-188(263)335)233(374)297-169(97-141-57-65-147(330)66-58-141)230(371)307-180(240(381)302-174(254(395)396)102-189(264)336)114-401-400-113-179(213(354)272-106-191(338)277-152(72-79-194(341)342)215(356)280-150(51-42-84-270-256(266)267)211(352)271-107-192(339)278-165(93-137-46-36-32-37-47-137)226(367)296-166(94-138-48-38-33-39-49-138)229(370)298-170(98-142-59-67-148(331)68-60-142)236(377)318-205(134(27)326)253(394)321-85-43-52-184(321)244(385)284-151(50-40-41-83-257)221(362)319-206(135(28)327)255(397)398)309-247(388)199(127(17)18)314-234(375)163(90-124(11)12)291-228(369)168(96-140-55-63-146(329)64-56-140)295-223(364)159(86-120(3)4)288-209(350)132(25)276-214(355)156(73-80-195(343)344)285-245(386)198(126(15)16)313-235(376)164(91-125(13)14)292-232(373)172(100-144-105-269-119-275-144)300-237(378)175(109-322)279-193(340)108-273-212(353)178(112-399-404-117-183(308-242(181)383)243(384)317-204(133(26)325)251(392)304-177(111-324)239(380)316-203(131(24)30-2)249(390)310-182)305-225(366)162(89-123(9)10)290-231(372)171(99-143-104-268-118-274-143)299-218(359)155(71-78-187(262)334)287-252(393)207(208(265)349)320-248(389)201(129(21)22)312-210(351)149(259)92-136-44-34-31-35-45-136/h31-39,44-49,53-68,104-105,118-135,149-184,198-207,322-331H,29-30,40-43,50-52,69-103,106-117,257-259H2,1-28H3,(H2,260,332)(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,349)(H,268,274)(H,269,275)(H,271,352)(H,272,354)(H,273,353)(H,276,355)(H,277,338)(H,278,339)(H,279,340)(H,280,356)(H,281,357)(H,282,368)(H,283,363)(H,284,385)(H,285,386)(H,286,387)(H,287,393)(H,288,350)(H,289,358)(H,290,372)(H,291,369)(H,292,373)(H,293,379)(H,294,365)(H,295,364)(H,296,367)(H,297,374)(H,298,370)(H,299,359)(H,300,378)(H,301,360)(H,302,381)(H,303,382)(H,304,392)(H,305,366)(H,306,361)(H,307,371)(H,308,383)(H,309,388)(H,310,390)(H,311,337)(H,312,351)(H,313,376)(H,314,375)(H,315,391)(H,316,380)(H,317,384)(H,318,377)(H,319,362)(H,320,389)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,395,396)(H,397,398)(H4,266,267,270)/t130-,131-,132+,133+,134+,135+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182-,183+,184+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+/m1/s1"	YAJCHEVQCOHZDC-QMMNLEPNSA-N
DG01848	Interferon alfa-2B	71306834	"INTERFERON ALFA-2B; 98530-12-2; Interferon alfa-2b, recombinant; C16H17Cl3I2N3NaO5S; SCHEMBL6041041; K779; Q4391540"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05258	.	.	746.5	7	C16H17Cl3I2N3NaO5S	113	511	.	31	0	6	CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+]	"InChI=1S/C15H16Cl3N3O2.CH2I2O3S.Na/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;2-1(3)7(4,5)6;/h3,5,8-10H,2,4,6-7H2,1H3;1H,(H,4,5,6);/q;;+1/p-1"	MIXCUJKCXRNYFM-UHFFFAOYSA-M
DG01849	Preimplantation factor	134687212	"UNII-3K6A6FJ98O; 3K6A6FJ98O; Preimplantation factor; SPIF peptide; PIF-1; Synthetic preimplantation factor; Preimplantation factor, synthetic; 485818-40-4; L-Aspartic acid, L-methionyl-L-valyl-L-arginyl-L-isoleucyl-L-lysyl-L-prolylglycyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-prolyl-L-seryl-L-alpha-aspartyl-; L-Methionyl-L-valyl-L-arginyl-L-isoleucyl-L-lysyl-L-prolylglycyl-L-seryl-L-alanyl-L-asparaginyl-L-lysyl-L-prolyl-L-seryl-L-alpha-aspartyl-L-aspartic acid"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1614.8	53	C67H115N21O23S	753	3300	-15	112	23	28	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)N	"InChI=1S/C67H115N21O23S/c1-7-34(4)52(86-55(99)37(17-12-23-74-67(72)73)78-62(106)51(33(2)3)85-54(98)36(70)20-26-112-6)63(107)80-39(16-9-11-22-69)65(109)87-24-13-18-45(87)60(104)75-30-48(92)77-43(31-89)58(102)76-35(5)53(97)81-40(27-47(71)91)56(100)79-38(15-8-10-21-68)64(108)88-25-14-19-46(88)61(105)84-44(32-90)59(103)82-41(28-49(93)94)57(101)83-42(66(110)111)29-50(95)96/h33-46,51-52,89-90H,7-32,68-70H2,1-6H3,(H2,71,91)(H,75,104)(H,76,102)(H,77,92)(H,78,106)(H,79,100)(H,80,107)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,98)(H,86,99)(H,93,94)(H,95,96)(H,110,111)(H4,72,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1"	GLXYOFXNKBTMQL-YKCHQESGSA-N
DG01850	DX-8951	146160902	BCP32858; FT-0777984; Exatecan derivative for ADC;Exatecan derivative; DX-8951 derivative; DX-8951; DX8951; Trastuzumab Deruxtecan (DS-8201a)	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB16301	.	.	493.5	3	C26H24FN3O6	129	1080	0	36	3	8	CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O	"InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)"	PLXLYXLUCNZSAA-UHFFFAOYSA-N
DG01851	Sacubitril/Valsartan	156599206	Sacubitril/Valsartan	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	1922	40	C96H126N12Na6O21-6	396	1140	.	135	7	35	[H-].[H-].[H-].[H-].[H-].[H-].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]	"InChI=1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O.6H/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2;;;;;;/q;;;;6*+1;;;;;;6*-1/p-6/t2*22-;2*17-,21+;;;;;;;;;;;;;;;;;/m0011................./s1"	FMZBKXKGHKJGMO-VDKBMKBSSA-H
DG01852	HSP90 inhibitor	.	HSP90 inhibitor	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01853	Induction therapy	.	Induction therapy	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01854	Teprotumumab	.	Teprotumumab	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06343	.	.	148000	.	.	.	.	.	.	.	.	.	.	.
DG01855	HG-6-63-01	.	HG-6-63-01	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01856	XMD15-44	.	XMD15-44	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01857	SU5402	.	SU5402	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01858	R3Mab	.	R3Mab	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01859	Spliceosome inhibitors	.	Spliceosome inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01860	Unspecified VEGFR2 antibody	.	Unspecified VEGFR2 antibody	Preclinical	14	Preclinical Drug(s)	Preclinical	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01861	VEGFR inhibitors	.	VEGFR inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01862	Pan-TRK inhibitors	.	Pan-TRK inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01863	ACLY siRNA	.	ACLY SiRNA	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01864	PI3K pathway inhibitors	.	PI3K pathway inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01865	Anti-HER3 mAbs	.	Anti-HER3 mAbs	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01866	Compound 3144	.	Compound 3144	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01867	ERK inhibitors	.	ERK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01868	NS1	.	NS1	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01869	SF1126	.	SF1126	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01870	SHR-A1307	.	SHR-A1307	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01871	CYH33	.	CYH33	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01872	DHM25	.	DHM25	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01873	LY2780301	.	LY2780301	Phase 1	9	Clinical Trial Drug(s)	Phase 1	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01874	YM-024	.	YM-024	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01875	PW12	.	PW12	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01876	PKI-402	.	PKI-402	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01877	PI103	.	PI103	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01878	IMG-2005-5	.	IMG-2005-5	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01879	MEK inhibitors	.	MEK inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01880	BPR1J373	.	BPR1J373	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01881	PARP inhibitors	.	PARP inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01882	IDH1 inhibitors	.	IDH1 inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01883	GSK3052230	.	GSK3052230	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01884	EZH2 inhibitors	.	EZH2 inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01885	UNC1999	.	UNC1999	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01886	Anti-estrogens	.	Anti-estrogens	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01887	Hormone therapy	.	Hormone therapy	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01888	Non-allosteric AKT inhibitors	.	Non-allosteric AKT inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01889	Allosteric AKT inhibitors	.	Allosteric AKT inhibitors	Preclinical	14	Preclinical Drug(s)	Preclinical	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01891	SHP099	.	SHP099	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01892	MET inhibitors	.	MET inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01893	Peginterferon alfa-2a	.	Peginterferon alfa-2a	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01894	IDH2 inhibitors	.	IDH2 inhibitors	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01895	ERBB2 TKIs	.	ERBB2 TKIs	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01896	EKI-285	.	EKI-285	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01897	Trastuzumab-based chemotherapy	.	Trastuzumab-based chemotherapy	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01898	Unspecified PD-L1 antibody	.	Unspecified PD-L1 antibody	Investigative	15	Investigative Drug(s)	Investigative	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01899	OBX1-012	.	OBX1-012	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01900	hEGFR vIII-CD3 bi-scFv	.	HEGFRvIII-CD3 bi-scFv	Preclinical	14	Preclinical Drug(s)	Preclinical	Bispecific antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01901	MM-151	.	MM-151	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01902	ALRN-6924	.	ALRN-6924	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01903	YW3-56	.	YW3-56	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01904	EAP Protocol	.	EAP Protocol	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01905	SBI-0640726	.	SBI-0640726	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01906	INU-152	.	INU-152	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01907	LSN3074753	.	LSN3074753	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01908	DETD-35	.	DETD-35	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01909	SBI-755199	.	SBI-755199	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01910	BI-2536	.	BI2536	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01911	CLM3	.	CLM3	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01912	S3I-201	.	S3I-201	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01913	Pictilisib/Ruxolitinib	.	Pictilisib/Ruxolitinib	Preclinical	14	Preclinical Drug(s)	Preclinical	Small molecular drug	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01914	Afabicin	72696796	"UNII-DMM8663H2R; DMM8663H2R; 1518800-35-5; Afabicin [INN]; SCHEMBL15479062; SCHEMBL16262317; (6-((1E)-3-(Methyl((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxoprop-1-en-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphate; 2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-8-((phosphonooxy)methyl)-1,8-naphthyridin-3-yl)-, (2E)-"	Phase 2	7	Clinical Trial Drug(s)	Phase 2	Small molecular drug	.	.	DB15268	.	.	485.4	7	C23H24N3O7P	133	833	1	34	2	8	"1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+"	CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)O	HFYMDQMXVPJNTH-VQHVLOKHSA-N
DG00194	Ribavirin	37542	"Ribavirin; 36791-04-5; Tribavirin; Rebetol; Virazole; Ribavirine; Copegus; Vilona; Ribamide; Ribasphere; Ribamidil; Viramid; Ribamidyl; Ribavirinum; Ribavirina; Rebetron; Varazid; RTCA; Ribavirin Capsules; Ribavirinum [INN-Latin]; Ribavirine [INN-French]; Ribavirina [INN-Spanish]; ICN-1229; Rebretron; Virazid; Ribav; 1-beta-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide; DRG-0028; 1-beta-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide; UNII-49717AWG6K; Ribavirin (Copegus); Copegus; Cotronak; RBV; RTC; Ravanex; Ribacine; Ribovirin; Viramide; Virazide; R 9644; SCH 18908; C-Virin; Copegus (TN); Drug: Ribavirin; KS-1104; R-964; RG-964; Rebetol (TN); Ribasphere (TN); Ribavirin [USAN:INN]; Vilona (TN); Virazole (Ribavirin) Inhalation Solution; Virazole (TN); AA-504/07617051; Ro 20-9963/000; Ro-20-9963; Ribavirin (JAN/USP/INN); 1-beta-D-Ribofuranosyl-1,2,4-triazolo-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide; 1-beta-D-ribofuranosyl-1-H-1,2,4-triazole-3-carboxamide; RBI034 (2-5A antisense compound) + Ribavirin"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63580	DB00811	DR00176	DR1413	244.2	C8H12N4O5	144	304	-1.8	17	4	7	3	"1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1"	C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	IWUCXVSUMQZMFG-AFCXAGJDSA-N
DG00462	Niclosamide	4477	"Niclosamide; 50-65-7; 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide; Niclocide; Bayluscid; Phenasal; Tredemine; Fenasal; Yomesan; Dichlosale; Helmiantin; Atenase; Cestocid; Devermin; Devermine; Iomesan; Iomezan; Mansonil; Radeverm; Sagimid; Vermitid; Lintex; Nasemo; Sulqui; Mato; Fedal-Telmin; Bayer 73; Zestocarp; Bayer 2353; 2',5-Dichloro-4'-nitrosalicylanilide; BAY 2353; Chemagro 2353; Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-; C13H8Cl2N2O4; 5-Chloro-2'-chloro-4'-nitrosalicylanilide; nicolsamide; HL 2447; WR 46234; UNII-8KK8CQ2K8G; ENT 25823; 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide; N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide; Niclosamide Anhydrous; 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid; Salicylanilide, 2',5-dichloro-4'-nitro-; 2',5-Dichlor-4'-nitro-salizylsaeureanilid; 5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide; 8KK8CQ2K8G; SR 73; Radewerm; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid; MFCD00057597; NSC-178296; CAS-50-65-7; NCGC00015735-07; DSSTox_CID_20362; DSSTox_RID_79485; DSSTox_GSID_40362; N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide; Niclosamida; Niclosamidum; Cestocide; Niclosamidum [INN-Latin]; Niclosamida [INN-Spanish]; Nitrophenyl chlorsalicylamide; Niclosamide [USAN:INN:BAN]; CCRIS 3437; HSDB 1572; SR-01000076024; Niclosamide [BSI:ISO]; EINECS 200-056-8; NSC 178296; BRN 2820605; Yomensan; niclo-samide; AI3-25823; 5-Chlorosalicyloyl-(o-chloro-p-nitranilide); B 2353; Niclocide (TN); Prestwick_354; 2',5-Dichlor-4'-nitro-salizylsaeureanilid [German]; Niclosamidum anhydrous; Mollutox (Salt/Mix); Niclosamide, anhydrous; N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid [German]; Spectrum_000239; Niclosamide (anhydrous); Niclosamide (Niclocide); Clonitralid (Salt/Mix); Clonitralide (Salt/Mix); Prestwick0_000040; Prestwick1_000040; Prestwick2_000040; Prestwick3_000040; Spectrum2_001183; Spectrum3_000667; Spectrum4_000196; Spectrum5_001083; Lopac-N-3510; Niclosamide (USAN/INN); CHEMBL1448; Lopac0_000866; Oprea1_259151; SCHEMBL67182; BSPBio_000139; BSPBio_002333; KBioGR_000771; KBioSS_000719; MLS002154181; DivK1c_000709; SPECTRUM1503265; SPBio_001225; SPBio_002060; BPBio1_000153; CHEBI:7553; GTPL8494; DTXSID7040362; SCHEMBL18563900; WLN: WNR CG DMVR BQ EG; BDBM11242; HMS502D11; KBio1_000709; KBio2_000719; KBio2_003287; KBio2_005855; KBio3_001553; 5-Chloro-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-benzamide; Niclosamide - CAS 50-65-7; NINDS_000709; BDBM513089; HMS1568G21; HMS2093A21; HMS2095G21; HMS2231H06; HMS3262N13; HMS3373P08; HMS3712G21; KUC107299N; Pharmakon1600-01503265; BAY-2353; BCP22958; HY-B0497; ZINC3874496; Tox21_110209; Tox21_300749; Tox21_500866; BBL004110; CCG-39641; NSC178296; NSC758440; s3030; Salicylanilide,5-dichloro-4'-nitro-; STK396676; 2,5-dichloro-4-nitrosalicylanilide  ; AKOS003589004; Tox21_110209_1; AT15436; BCP9000068; DB06803; KS-5210; LP00866; MCULE-9985514311; NSC-758440; SB19414; SDCCGSBI-0050841.P004; 2',5'-Dichloro-4'-nitrosalicylanilide; IDI1_000709; SMP2_000228; 5-chloro-N-(2-chloro-4-nitrophenyl)-; NCGC00015735-01; NCGC00015735-02; NCGC00015735-03; NCGC00015735-04; NCGC00015735-05; NCGC00015735-06; NCGC00015735-08; NCGC00015735-09; NCGC00015735-11; NCGC00015735-12; NCGC00015735-24; NCGC00094190-01; NCGC00094190-02; NCGC00094190-03; NCGC00094190-04; NCGC00254654-01; NCGC00261551-01; I012; KSC-18-157-2; SMR000058390; Niclosamide 100 microg/mL in Acetonitrile; SBI-0050841.P003; AB0013423; DB-051812; VU0243604; AB00052340; EU-0100866; FT-0603220; EN300-92958; D00436; N 3510; AB00052340_08; AB00052340_09; A828227; Q418523; Q-201469; SR-01000076024-1; SR-01000076024-3; SR-01000076024-6; BRD-K35960502-001-06-9; BRD-K35960502-001-11-9; Z57902203; 5-Chloro-N-(2-chloro-4-nitrophenyl) -2-hydroxybenzamide; 5-chloranyl-N-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide; Niclosamide (anhydrous), European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06803	.	.	327.12	C13H8Cl2N2O4	95.2	404	4	21	2	4	2	"1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)"	C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O	RJMUSRYZPJIFPJ-UHFFFAOYSA-N
DG00486	Fluoroquinolone	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00532	Remdesivir	121304016	"1809249-37-3; 3QKI37EEHE; GS 5734; GS 5734 [WHO-DD]; GS-5734; GS5734; Remdesivir; REMDESIVIR [INN]; Remdesivir [USAN]; REMDESIVIR [WHO-DD]; remdesivirum; UNII-3QKI37EEHE; Veklury; 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate; 2-Ethylbutyl (2S)-2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; 2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; Veklury (TN); Remdesivir (JAN/USAN); Remdesivir (GS-5734); CHEMBL4065616; SCHEMBL17712225; GTPL10715; med.21724, Compound 178; CHEBI:145994; BDBM429505; EX-A3265; MFCD31657351; NSC825151; s8932; AT11308; BCP24975-1; DB14761; DT-0049; NSC-825151; compound 4b [PMID: 28124907]; NCGC00686694-01; 2-ethylbutyl (2S)-2-(((2R, 3S, 4R, 5R)-5-(4-aminopyrrolo(2,1-f) (1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl) methoxy)(phenoxy) phosphoryl) amino) propanoate; AC-31297; GS- 5734; L-Alanine, N-((S)-hydroxyphenoxyphosphinyl)-, 2-ethylbutyl ester, 6-ester with 2-C-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitrile; HY-104077; CS-0028115; D11472; (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl ester; (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; (S)-2-Ethylbutyl 2-((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate; 2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; 2-ethylbutyl N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB14761	.	.	602.6	C27H35N6O8P	204	1010	1.9	42	4	13	14	"1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1"	CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4	RWWYLEGWBNMMLJ-YSOARWBDSA-N
DG00649	Nitrazepam	4506	"Nitrazepam; Benzalin; 146-22-5; Neozepam; Imeson; Mogadon; Remnos; Neuchlonic; Apodorm; Calsmin; Eunoctin; Imesont; Nitrados; Radedorm; Sonebon; Trazenin; Hipnax; Hipsal; Nelmat; Surem; Epibenzalin; Epinelbon; Nitrenpax; Somitran; Sonnolin; Unisomnia; Cerson; Dumolid; Nelbon; Paxisyn; Pelson; Relact; N-Desmethylnimetazepam; Persopit; Gerson; Ibrovek; Eatan; Dormin-5; Nitrazepamum; 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; Mogadone; Magadon; Megadon; Mogadan; Ro 4-5360; Nitrazepamum [INN-Latin]; Ro 5-3059; 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one; LA 1; 7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; NSC-58775; 7-Nitro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; S 2000; 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one; UNII-9CLV70W7HS; 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-on; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-; Dormo-Puren; Mitidin; 9CLV70W7HS; CHEMBL13209; Eatan N; CHEBI:7581; Somnite; NSC58775; NCGC00159358-02; 2,3-dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one; Calsamin; Eunoktin; Ipersed; Nitravet; Nitrempax; Noctesed; Pacisyn; Somnased; Somnibel; DSSTox_CID_3372; LA 1 (VAN); Dormicum (anticonvulsant); DSSTox_RID_77000; DSSTox_GSID_23372; Nitrazepam [USAN:INN:BAN:JAN]; Nitrazepam (TN); Benzalin (TN); CAS-146-22-5; SMR000058302; CCRIS 1931; EINECS 205-665-2; NSC 58775; BRN 0757185; DEA No. 2834; ISOPROPYLACETATE/NITRAZEPAM; N05CD02; Ro 53-60; ChemDiv1_022312; Oprea1_476234; SCHEMBL35202; 5-24-04-00344 (Beilstein Handbook Reference); MLS001304053; MLS001424061; DTXSID5023372; Nitrazepam (JP17/USAN/INN); HMS650G04; KJONHKAYOJNZEC-UHFFFAOYSA-; 1, 3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; HMS2051F19; HMS2272G03; HMS3393F19; 7-Nitro-1,4-benzodiazepin-2-one; NITRAZEPAM METHANOL SOLUTION; ZINC4311748; Tox21_111601; BDBM50020856; PDSP1_000120; PDSP2_000120; Ro-45360; Ro-53059; STK806322; AKOS002254707; Nitrazepam 0.1 mg/ml in Acetonitrile; Nitrazepam 1.0 mg/ml in Acetonitrile; Tox21_111601_1; WLN: T67 GMV JN IHJ CNW KR; AB02342; AC-4537; CCG-100977; DB01595; MCULE-3394241963; NC00227; NCGC00159358-03; 2H-1, 1,3-dihydro-7-nitro-5-phenyl-; 7-Nitro-5-phenyl-2,4-benzodiazepin-2-one; DB-042832; RO-4-5360; RO-5-3059; C07487; D00531; 146N225; A808471; Q410078; 7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one; Nitrazepam, British Pharmacopoeia (BP) Reference Standard; Nitrazepam, European Pharmacopoeia (EP) Reference Standard; (Z)-7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one; 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepine-2-one; 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #; 7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one; Nitrazepam solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7581	DB01595	.	DR1166	281.27	C15H11N3O3	87.3	452	2.2	21	1	4	1	"1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)"	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	KJONHKAYOJNZEC-UHFFFAOYSA-N
DG00650	Ranibizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01270	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00652	Afuresertib	46843057	"Afuresertib; 1047644-62-1; GSK-2110183; GSK2110183C; UNII-8739X25QI3; GSK 2110183C; ASB183; Afuresertib (GSK2110183); ASB-183; 8739X25QI3; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide; Afuresertib [USAN:INN]; 2-Thiophenecarboxamide, N-((1S)-2-amino-1-((3-fluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; 2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-; Afuresertib (USAN); SCHEMBL187686; GTPL7890; Afuresrtib (GSK2110183); CHEMBL2219422; DTXSID60146711; CHEBI:131168; AOB87168; BCP08435; EX-A1574; BDBM50502477; NSC778305; NSC781255; NSC800109; NSC829868; s7521; ZINC43197674; CCG-268972; CS-3384; DB11648; NSC-778305; NSC-781255; NSC-800109; NSC-829868; GSK 2110183; NCGC00387879-03; BA166066; BS-14212; HY-15727; A16392; D10381; D71036; A853608; Afuresertib, GSK-2110183, GSK-2110183B; Q27224945; N-((1S)-1-(aminomethyl)-2-(3-fluorophenyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide;Afuresertib; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide; N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide; N-{(1S)-2-amino-1-[(3-fluorophenyl)methyl]ethyl}-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:131168	DB11648	.	.	427.3	C18H17Cl2FN4OS	101	520	4	27	2	5	6	"1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1"	CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl	AFJRDFWMXUECEW-LBPRGKRZSA-N
DG00653	Mebendazole	4030	"Mebendazole; 31431-39-7; Vermox; Telmin; Mebenvet; Pantelmin; Ovitelmin; Vermirax; Mebenoazole; Vermicidin; Bantenol; Mebutar; Lomper; MBDZ; Besantin; Verpanyl; Noverme; Mebendazol; Mebendazolum; Methyl (5-benzoyl-1H-benzo[d]imidazol-2-yl)carbamate; 5-Benzoyl-2-benzimidazolecarbamic acid methyl ester; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester; Methyl 5-benzoyl-2-benzimidazolecarbamate; Methyl 5-benzoyl-2-benzimidazolylcarbamate; Methyl 5-benzoyl benzimidazole-2-carbamate; methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate; R 17635; methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate; (5-Benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester; MFCD00057872; R 17,635; Methyl N-(5-benzoyl-1H-benzimidazol-2-yl)carbamate; CCRIS 4479; methyl N-(6-benzoyl-1H-1,3-benzodiazol-2-yl)carbamate; NSC 184849; UNII-81G6I5V05I; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester; Sufil; CHEMBL685; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle; N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle; CHEBI:6704; Carbamic acid, N-(5-benzoylbenzimidazol-2-yl)-, methyl ester; Versid; Methyl 6-benzoyl-1H-benzimidazol-2-ylcarbamate; 81G6I5V05I; 5-Benzoyl-2-benzimidazolecarbamic acid, methyl ester; NSC184849; NSC-184849; methyl [5-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamate; NCGC00016806-01; (5-Benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester (8CI); Mebex; CAS-31431-39-7; Equivurm Plus; DSSTox_CID_20682; DSSTox_RID_79538; DSSTox_GSID_40682; Mebendazol [INN-Spanish]; Mebendazolum [INN-Latin]; Vermox (TN); Emverm; SMR000036734; HSDB 3232; Mebendazole Polymorph C; SR-01000003109; EINECS 250-635-4; Methyl N-(5-benzoyl-2-benzimidazolyl)carbamate; Zhihuanqing; Mebatreat; Mebendazole (JAN/USP/INN); Equivurmp Plus; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle [French]; Mebendazole,(S); N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle [French]; V95; Prestwick_310; Mebendazole; 4030; Mebendazole [USAN:USP:INN:BAN:JAN]; Spectrum_001298; CPD000036734; Prestwick0_000217; Prestwick1_000217; Prestwick2_000217; Prestwick3_000217; Spectrum2_001401; Spectrum3_001439; Spectrum4_000416; Spectrum5_001381; Probes1_000013; Probes2_000149; Cambridge id 5250893; Methyl [5-(Benzoyl)benzimidazol-2-yl]carbamate; TimTec1_000869; Oprea1_278237; Oprea1_768530; R-17635; SCHEMBL15860; BSPBio_000233; BSPBio_003178; CBDivE_010559; KBioGR_000712; KBioSS_001778; MLS000028491; MLS006011879; BIDD:GT0087; DivK1c_000751; SPECTRUM1501110; SPBio_001442; SPBio_002154; BPBio1_000257; methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate; DTXSID4040682; HMS502F13; KBio1_000751; KBio2_001778; KBio2_004346; KBio2_006914; KBio3_002398; NINDS_000751; HMS1536H11; HMS1568L15; HMS1921F03; HMS2090B03; HMS2092B15; HMS2095L15; HMS3259B11; HMS3604N11; HMS3712L15; Pharmakon1600-01501110; ZINC121541; Tox21_110620; BBL008298; BDBM50180753; CCG-39628; MMV003152; NSC757838; s4610; STK093862; AKOS000539066; AKOS015896232; Carbamic acid, (5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester (9CI); Tox21_110620_1; CS-3974; DB00643; MCULE-4133611535; NC00639; NSC-757838; IDI1_000751; NCGC00016806-02; NCGC00016806-03; NCGC00016806-04; NCGC00016806-05; NCGC00016806-06; NCGC00016806-07; NCGC00016806-08; NCGC00016806-09; NCGC00016806-10; NCGC00016806-12; NCGC00016806-13; NCGC00021698-03; NCGC00021698-04; NCGC00021698-05; NCGC00021698-06; NCGC00021698-07; AC-12064; AS-12272; HY-17595; SY051142; SBI-0051641.P002; AB00052203; FT-0628179; FT-0628180; M2273; EN300-50844; D00368; D70118; K-6451; 5-Benzoyl-2-benzimidazolylcarbamicacidmethylester; AB00052203-09; AB00052203_10; Mebendazole, VETRANAL(TM), analytical standard; 431M397; A820852; AG-205/04588045; Mebendazole, analytical standard, >=98% (HPLC); Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate; Q422194; methyl 5-benzoyl-1H-benzo[d]imidazol-2-ylcarbamate; SR-01000003109-2; SR-01000003109-3; W-106901; BRD-K77987382-001-01-7; BRD-K77987382-001-06-6; BRD-K77987382-001-08-2; SR-01000003109-10; methyl N-(5-benzoyl-1H-1,3-benzimidazol-2-yl)carbamate; Z234895185; 5-Benzoyl-1H-benzimidazol-2-yl carbamic acid methyl ester;; Mebendazole, European Pharmacopoeia (EP) Reference Standard; Mebendazole, United States Pharmacopeia (USP) Reference Standard; Mebendazole for system suitability, European Pharmacopoeia (EP) Reference Standard; Mebendazole Polymorph C, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6704	DB00643	DR00633	DR1005	295.29	C16H13N3O3	84.1	423	2.8	22	2	4	4	"1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	OPXLLQIJSORQAM-UHFFFAOYSA-N
DG00654	Methimazole	1349907	"Methimazole; 60-56-0; thiamazole; Tapazole; 2-Mercapto-1-methylimidazole; Methimazol; 1-Methylimidazole-2-thiol; Mercazole; Mercazolyl; Metazolo; Thymidazol; Thymidazole; Mercaptazole; Merkazolil; Metothyrin; Metothyrine; Strumazol; Thiamazol; Thycapzol; Basolan; Favistan; 1-Methyl-1H-imidazole-2-thiol; Danantizol; Frentirox; Merkastan; Metotirin; Thacapzol; Thycapsol; Metizol; Mercasolyl; Methylmercaptoimidazole; 1-Methyl-2-mercaptoimidazole; Methiamazole; 2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-; 3-methyl-1H-imidazole-2-thione; Usaf el-30; N-Methyl-2-mercaptoimidazole; Tapuzole; Thimazole; 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE; 1-Methyl-2-imidazolethiol; 1-Methyl-1H-imidazole-2(3H)-thione; 2-Mercaptomethylimidazole; 1,3-Dihydro-1-methyl-2H-imidazole-2-thione; 1-Methylimidazole-2(3H)-thione; Imidazole-2-thiol, 1-methyl-; 1-Metylo 2 merkaptoimidazolem; 1-Methyl-1,3-dihydroimidazole-2-thione; 4-Imidazoline-2-thione, 1-methyl-; MFCD00179321; Methimazole (USP); Methimazole [USP]; UNII-554Z48XN5E; Tiamazol; CHEMBL1515; Mercazolylum; Methimazolum; Metimazol; 1-methyl-2,3-dihydro-1H-imidazole-2-thione; CHEBI:50673; Imidazole, 1-methyl-2-mercapto-; 554Z48XN5E; NSC38608; NSC-38608; CAS-60-56-0; Tiamazolo [DCIT]; NCGC00016273-01; Methamazole; Thiamazolum; Strumazole; Tiamazolo; DSSTox_CID_820; Thiamazol [INN-French]; Tiamazol [INN-Spanish]; DSSTox_RID_75808; DSSTox_GSID_20820; Thiamazolum [INN-Latin]; MMZ; Felimazole; Tapazole (TN); 223768-14-7; 85916-84-3; SMR000058376; 1-Metylo 2 merkaptoimidazolem [Polish]; HSDB 3361; SR-05000001672; EINECS 200-482-4; NSC 38608; 1-Methyl-imidazole-2-thiol; tiamazole; Mercaptizole; AI3-60285; 1,3-Dihydro-1-Methyl-2H-Imidazol-2-Thione; Thiamazole,(S); 2-Mercapto-1-methyl-1H-imidazole; Thiamazole [INN]; Prestwick_1010; Spectrum_000995; Prestwick0_000786; Prestwick1_000786; Prestwick2_000786; Prestwick3_000786; Spectrum2_001273; Spectrum3_000495; Spectrum4_000048; Spectrum5_000954; M0868; Thiamazole (JP17/INN); 1-methylimidazole-2-thione; Methimazole-d3(methyl-d3); N-methyl imidazole-2-thiol; 2-mecapto 1-methylimidazole; 2-Mercapto-1-methylimidazol; 2-mercapto-N-methylimidazole; SCHEMBL41647; 2-mercapto-3-methylimidazole; BSPBio_000892; BSPBio_001989; KBioGR_000515; KBioSS_001475; MLS000028413; MLS002548853; BIDD:GT0163; DivK1c_000188; SPECTRUM1500396; WLN: T5N CNJ A BSH; 1-methyl-2-mercapto-imidazole; 2-mercapto-1-methyl-imidazole; SPBio_001266; SPBio_002831; 1-Methyl-2-mercapto imidazole; Imidazole-2-thio, 1-methyl-; BPBio1_000982; GTPL6649; Methimazole, analytical standard; DTXSID4020820; Methimazole (Tapazole, Northyx); 1-methyl-1H-immidazole-2-thiol; 1-methyl-3H-imidazole-2-thione; HMS500J10; KBio1_000188; KBio2_001475; KBio2_004043; KBio2_006611; KBio3_001489; 1-methyl-1-H-imidazole-2-thiol; NINDS_000188; HMS1570M14; HMS1920L17; HMS2090B17; HMS2091D12; HMS2094C05; HMS2097M14; HMS3259L09; HMS3651I13; HMS3714M14; Pharmakon1600-01500396; 1-Methyl-1H-imidazole-2-thiol #; AMY11202; BCP02147; HY-B0208; STR03572; ZINC1187543; Tox21_110341; Tox21_201341; Tox21_300532; AC-785; BDBM50241361; CCG-39656; HTS001687; NSC757111; s1609; STK300018; STK802184; AKOS000119427; AKOS000269708; Tox21_110341_1; BS-3743; CCG-220786; DB00763; MCULE-9902292741; NC00636; NSC-757111; 2-Mercapto-1-methylimidazole, >=99%; IDI1_000188; NCGC00016273-02; NCGC00016273-03; NCGC00094721-01; NCGC00094721-02; NCGC00094721-03; NCGC00094721-04; NCGC00094721-05; NCGC00094721-06; NCGC00094721-07; NCGC00178875-01; NCGC00254307-01; NCGC00258893-01; Methimazol 100 microg/mL in Acetonitrile; Q813; SBI-0206922.P001; SBI-0206922.P004; DB-053649; Methimazole; ; ; 2-mercapto-1-methylimidazole; 2H-Imidazole-2-thione,3-dihydro-1-methyl-; FT-0603253; SW197088-3; C07190; D00401; H10722; AB00443630-03; AB00443630-04; AB00443630_06; AB00443630_07; Methimazole, VETRANAL(TM), analytical standard; A832780; Q419663; SR-01000695434; Q-201364; SR-01000695434-2; SR-05000001672-1; SR-05000001672-2; BRD-K54416256-001-15-7; Z57901905; F0001-2396; F1679-0258; Thiamazole, European Pharmacopoeia (EP) Reference Standard; Methimazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50673	DB00763	DR00667	DR2515	114.17	C4H6N2S	47.4	119	-0.3	7	1	1	0	"1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)"	CN1C=CNC1=S	PMRYVIKBURPHAH-UHFFFAOYSA-N
DG00655	Nucleoside analogs	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB06688	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00656	Pirfenidone	40632	"PIRFENIDONE; 53179-13-8; 5-methyl-1-phenylpyridin-2(1H)-one; Esbriet; Deskar; AMR-69; Pirespa; 5-Methyl-1-phenyl-2-(1H)-pyridone; Pirfenidonum; Pirfenidona; 5-methyl-1-phenylpyridin-2-one; 5-methyl-1-phenyl-2(1H)-pyridinone; 2(1H)-Pyridinone, 5-methyl-1-phenyl-; AMR 69; 5-Methyl-1-phenyl-1H-pyridin-2-one; 5-Methyl-1-phenyl-2(1H)-pyridone; 5-methyl-1-phenyl-2-pyridinone; UNII-D7NLD2JX7U; MFCD00866047; D7NLD2JX7U; AMR69; CHEBI:32016; S-7701; NSC-748456; NCGC00015806-03; DSSTox_CID_25183; DSSTox_RID_80731; DSSTox_GSID_45183; Pirfenidone [USAN:INN]; Pirfenidonum [INN-Latin]; Pirfenidona [INN-Spanish]; CAS-53179-13-8; SR-01000076061; BRN 1526549; Prfendone; Pirfenidone (JAN/USAN/INN); 5-methyl-1-phenyl-pyridin-2-one; Pirfenidone-[d3]; Esbriet (TN); Pirfenidone- Bio-X; Pirfenidone(AMR69); KS-5041; 2(1H)-Pyridone, 5-methyl-1-phenyl-; Tocris-1093; Lopac-P-2116; F-647; P 2116; SCHEMBL4708; Lopac0_000907; 5-21-07-00197 (Beilstein Handbook Reference); MLS000860042; 5-Methyl-1-phenyl-2-pyridone; GTPL7532; ZINC1958; CHEMBL1256391; DTXSID4045183; 1-phenyl-5-methyl-2-pyridinone; HSDB 8340; Pirfenidone, >=97% (HPLC); Bio1_000397; Bio1_000886; Bio1_001375; HMS2234G24; HMS3262F16; HMS3267I06; HMS3372A08; HMS3412G13; HMS3651P08; HMS3676G13; AOB31717; BCP04473; HY-B0673; Tox21 110225; Tox21_110225; Tox21_500907; BDBM50005201; NSC748456; s2907; AKOS006273697; S-7701,AMR-69; Tox21_110225_1; AB07515; AC-6797; AM84939; CCG-204989; DB04951; LP00907; NSC 748456; SDCCGSBI-0050882.P002; NCGC00015806-01; NCGC00015806-02; NCGC00015806-04; NCGC00015806-05; NCGC00015806-06; NCGC00015806-17; NCGC00024992-01; NCGC00024992-02; NCGC00024992-03; NCGC00261592-01; 5-METHYL-N-PHENYL-2-1H-PYRIDONE; BM164275; H960; SMR000326900; SY034783; B2288; EU-0100907; FT-0602686; FT-0672092; P1871; SW220156-1; D01583; J90039; 5-Methyl-N-phenyl-2-1H-pyridone [Pirfenidone]; 179P138; A829431; J-523979; Q2060696; SR-01000076061-1; SR-01000076061-3; BRD-K96862998-001-03-1; BRD-K96862998-001-09-8; Pirfenidone, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32016	DB04951	.	DR1299	185.22	C12H11NO	20.3	285	1.9	14	0	1	1	"1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3"	CC1=CN(C(=O)C=C1)C2=CC=CC=C2	ISWRGOKTTBVCFA-UHFFFAOYSA-N
DG00658	Pregabalin	5486971	"Pregabalin; 148553-50-8; Lyrica; (S)-3-(Aminomethyl)-5-methylhexanoic acid; 3-isobutyl GABA; (3S)-3-(aminomethyl)-5-methylhexanoic acid; CI-1008; (S)-Pregabalin; Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3S)-; CI 1008; PD 144723; UNII-55JG375S6M; PD-144723; (S)-3-Isobutyl GABA; CHEMBL1059; CHEBI:64356; (3S)-3-(aminomethyl)-5-methyl-hexanoic acid; 55JG375S6M; MFCD00917044; Hexanoic acid, 3-(aminomethyl)-5-ethyl-, (3S)-; (R-)-3-isobutyl GABA; Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-; Pregabalina; Pregabaline; Vronogabic; Nervalin; Pregablin; Pregabalin mylan; Pregabalin sandoz; HSDB 7530; Pregabalin zentiva; NSC-759256; Pregabalin [USAN:INN:BAN:JAN]; NCGC00095186-01; Pregabalin- Bio-X; Lyrica (TN); Pregabalin sandoz gmbh; (S)-3-(Aminomethyl)-5-methylhexanoicacid; SCHEMBL8227; DSSTox_CID_25950; DSSTox_RID_81246; DSSTox_GSID_45950; Pregabalin (JAN/USAN/INN); (S)-(+)-4-amino-3-(2-methylpropyl)butanoic acid; GTPL5484; ZINC5152; DEA No. 2782; Pregabalin, >=97% (NMR); DTXSID1045950; HMS3715J16; Pregabalin 1.0 mg/ml in Methanol; YNP-1807; Tox21_111475; BDBM50164279; AKOS001476611; AKOS005145504; Lyrica;CI-1008;PD-144723; AC-1158; CCG-221247; CM14412; CS-1247; DB00230; KS-5378; NSC 759256; (S)-3-aminomethyl-5-methylhexanoic acid; NCGC00346738-01; 121GE001; BP163672; HY-17414; (S)-3-Aminomethyl-5-methyl-hexanoic acid; AM20080369; CAS-148553-50-8; EN300-92104; (3S)-3-(aminomethyl)-5-methyl hexanoic acid; (S)-(+)-3-Aminomethyl-5-Methylhexanoic Acid; D02716; AB01563007_01; 553P508; A808784; Q412174; SR-01000942257; SR-01000942257-2; Pregabalin, EuropePharmacopoeia (EP) Reference Standard; Z2757554242; 1414928-41-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB00230	DR01255	.	159.23	C8H17NO2	63.3	123	-1.6	11	2	3	5	"1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1"	CC(C)C[C@@H](CC(=O)O)CN	AYXYPKUFHZROOJ-ZETCQYMHSA-N
DG00663	Bromevinyldeoxyuridine	.	.	Investigative	15	Investigative Drug(s)	Investigative	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00664	Phosphonic acid derivative	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01077	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00665	Trabectedin	108150	"Trabectedin; Yondelis; Ecteinascidin; ecteinascidin 743; ET-743; 114899-77-3; Ect 743; UNII-ID0YZQ2TCP; ET743; ID0YZQ2TCP; Et 743; CHEBI:84050; DSSTox_CID_26880; DSSTox_RID_81984; DSSTox_GSID_46880; [(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate; Ecteinascidine 743; Ecteinascidin-743; CAS-114899-77-3; NSC 648766; NSC 684766; Trabectedin [USAN:INN:BAN]; CCRIS 8133; NSC-648766; C39H43N3O11S; NCGC00181159-01; NCGC00181159-02; Ecteinascidins trabectedin; CHEMBL450449; GTPL2774; DTXSID2046880; SCHEMBL12119916; EX-A4317; Tox21_112762; Tox21_113236; NSC813783; ZINC150338708; CS-1608; DB05109; NSC-684766; NSC-813783; (1'R,6R,6aR,7R,13S,14S,16R)-6',8,14-Trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydrospiro(6,16-(epithiopropanooxymethano)-7,13-imino-6aH-1,3-dioxolo(7,8)isoquino(3,2-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-5-yl acetate; AC-27767; Ecteinascidin 743;ET-743;Ecteinascidin; HY-50936; Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 3',4',6,6a,7,13,14,16-octahydro-5-(acetyloxy)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (6R-(6-alpha,6a-beta,7-beta,13-beta,14-beta,16-alpha,20R*))-; Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)-; X5006; Q2637746; Ecteinascidin 743; ; ; ET-743; ; ; Yondelis; ; ; NSC-684766; (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate; (6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquinolino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB05109	DR01213	DR1625	761.8	C39H43N3O11S	194	1450	3.4	54	4	15	4	"1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1"	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O	PKVRCIRHQMSYJX-AIFWHQITSA-N
DG00666	1-Acetyllycorine	.	.	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	CHEBI:31045	DB00069	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00667	Fusidic acid	3000226	"Fusidic acid; Fusidine; 6990-06-3; Ramycin; Fucithalmic; Fucidic acid; Fucidin acid; Fusidate; FUCIDIN; Fucidate; Flucidin; Taksta; SQ 16,603; (-)-Fusidic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid; SQ 16603; UNII-59XE10C19C; MLS001332649; CHEBI:29013; CEM-102; 59XE10C19C; MFCD00865135; NSC-56192; SMR000857101; (2E)-2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid; Acide fusidique; Acido fusidico; Fusidinic Acid; Acidum fusidicum; (-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid; Anhydrous Fusidic Acid; (2Z)-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; (Z)-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyldodecahydro-1H-cyclopenta[a]phenanthren-17(2H,10H,14H)-ylidene)-6-methylhept-5-enoic acid; Fusidic acid (USAN/INN); fusidic-acid; Fusidate Acid; 1qca; FUSIDICACID; C.A.S. 62,602; Prestwick2_000390; SCHEMBL25646; MLS001332650; MLS002207094; Acide fusidique [INN-French]; Acido fusidico [INN-Spanish]; Acidum fusidicum [INN-Latin]; CEM102; CHEMBL374975; DTXSID0023086; Fusidic acid [USAN:INN:BAN]; BDBM58924; cid_3000226; GTPL10815; AOB5628; HMS2235B11; ACT03304; EX-A3797; HY-B1350; NSC56192; ZINC8143796; EINECS 230-256-0; NSC 56192; s3971; 16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; AKOS005146257; CCG-269829; DB02703; DS-3261; LMPR0106040001; NCGC00485232-01; (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-; SQ-16603; C.A.S. 62,602; Diethanolamine fusidate; CS-0013095; F1007; C06694; D04281; 990F063; Q259930; Q-201141; Fusidic acid, European Pharmacopoeia (EP) Reference Standard; Fusidic acid for peak identification, European Pharmacopoeia (EP) Reference Standard; (2Z)-2-[(3beta,4beta,5alpha,8alpha,9beta,11beta,13alpha,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid; (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; (3a,4a,8a,9b,11a,13a,147b,167b,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; (3alpha,4alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid; (Z)-ent-16alpha-(acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14- trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oate; 29-Nor-8.alpha.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid, 3.alpha.,11.alpha.,16.beta.-trihydroxy-, 16-acetate, (Z)-; 29-Nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid, 3alpha,11alpha,16beta-trihydroxy-, 16-acetate, (Z)- (8CI); 29-Nordammara-17(20), 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3-alpha,4-alpha,8-alpha,9-beta,11-alpha,13-alpha,14-beta,16-beta,17Z)-; 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3a,4a,8a,9b,11a,13a,14b,16b,17Z)-; 3.alpha.,16.beta.-Trihydroxy-29-nor-8.alpha.,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-dien-21-oic acid 16-acetate; 3alpha,11alpha,16beta-Trihydroxy-29-nor-8alpha,9beta,13alpha,14beta-dammara-17(20),24-dien-21-oic acid 16-acetate; ent-(17Z)-16alpha-(Acetyloxy)-3beta,11beta-dihydroxy-4beta,8,14-trimethyl-18-nor-5beta,10alpha-cholesta-17(20),24-dien-21-oic acid hemihydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:29013	DB02703	.	DR0758	516.7	C31H48O6	104	994	5.5	37	3	6	6	"1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1"	C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\\C(=O)O)OC(=O)C)C)O)C	IECPWNUMDGFDKC-MZJAQBGESA-N
DG00668	Mupirocin	446596	"Mupirocin; 12650-69-0; Pseudomonic acid; Bactroban; Mupirocine; Centany; Pseudomonic acid A; Mupirocina; Mupirocinum; Bactoderm; Turixin; BRL 4910A; BRL-4910A; trans-Pseudomonic acid; 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; UNII-D0GX863OA5; Bactroban (TN); CHEMBL719; CHEBI:7025; D0GX863OA5; MRC; 6-Chloro-2,4-dimethoxy pyrimidine; MFCD01711620; NSC-759182; NCGC00164554-03; Plasimine; mupirocin calcium salt; 80558-54-9; L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-; Mupirocine [French]; Mupirocinum [Latin]; Mupirocina [Spanish]; C26H44O9; Bactroban Ointment; BRL-4910F; 9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid; Centany (TN); Mupirocin Neo-Sensitabs; Mupirocin (USP/INN); SR-05000001947; 115074-43-6; 1jzs; Mupirocin [USAN:USP:INN:BAN]; Mupirocin,(S); 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; mupirocin lithium salt; CPD000471888; SCHEMBL3291; DSSTox_CID_26438; DSSTox_RID_81614; DSSTox_GSID_46438; 8-Carboxyoctyl (E)-4-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)-3-methylcrotonat; MLS001074711; BIDD:GT0320; Mupirocin, Pseudomonic Acid A; cid_446596; SCHEMBL1027618; Pseudomonic acid A lithium salt; DTXSID0046438; CHEBI:94519; GTPL10916; AOB6353; HMS2234E20; HMS3259L05; HMS3712K03; Pharmakon1600-01505706; HY-B0958; ZINC4102194; Tox21_112183; BDBM50290686; MFCD11977847; NSC759182; NSC815348; AKOS015994756; Mupirocin, >=92% (HPLC), powder; CCG-213522; DB00410; FD12069; KS-5137; NC00620; NSC 759182; NSC-815348; NCGC00164554-05; NCGC00164554-06; (E)-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl)tetrahydro-3,4-dihydroxy-beta-methyl-2H-pyran-2-crotonic acid, ester with 9-hydroxynonanoic acid; AS-11580; SMR000471888; SBI-0206892.P001; CAS-12650-69-0; M2955; S4297; D01076; M-8680; AB01563109_01; Mupirocin, Antibiotic for Culture Media Use Only; Q413578; SR-05000001947-1; SR-05000001947-2; BRD-K15262564-001-06-9; Mupirocin, United States Pharmacopeia (USP) Reference Standard; 5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S)]]-L-talonon-2-enonic acid 8-carboxyoctyl ester; 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid calcium salt; 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid lithium salt; 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoic acid; 9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid; 9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin); 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3- [(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl] oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid; 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid; 9-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}nonanoic acid; Nonanoic acid, 9-((3-methyl-1-oxo-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-2-butenyl)oxy)-, (2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-; rel-9-(((E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7025	DB00410	.	.	500.6	C26H44O9	146	694	3	35	4	9	17	"1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1"	C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	MINDHVHHQZYEEK-HBBNESRFSA-N
DG00669	Adamantane	9238	"ADAMANTANE; 281-23-2; Tricyclo[3.3.1.13,7]decane; Adamantan; Tricyclo[3.3.1.1(3,7)]decane; tricyclo[3.3.1.1~3,7~]decane; UNII-PJY633525U; CHEBI:40519; Tricyclo(3.3.1.13,7)decane; PJY633525U; MFCD00074719; A 0696; NSC 527913; tricyclo[3.3.1.1]decane; EINECS 206-001-4; NSC 527913; Adamantine; Adamantane (8CI); Adamantane; >99%; Adamantane, >=99%; EC 206-001-4; AMY793; CHEMBL1230831; DTXSID5022017; ZINC1271109; NSC527913; Tricyclo[3.3.1.1<3,7>]decane; Adamantane Tricyclo[3.3.1.1]decane; AKOS000119960; AKOS004908007; DB03627; DS-4960; NSC-527913; Tricyclo(3,3,1,1,<3,7>)-decane; AS-12242; DB-004015; A0696; CS-0022641; FT-0621893; S2869; D88553; A819332; Q351461; W-107075; F0001-0891"	Investigative	15	Investigative Drug(s)	Investigative	Small molecular drug	.	.	DB03627	.	.	136.23	C10H16	0	75.1	3.8	10	0	0	0	"1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2"	C1C2CC3CC1CC(C2)C3	ORILYTVJVMAKLC-UHFFFAOYSA-N
DG00670	Anti-TNFalpha	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	DB13151	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00671	Darbepoetin alfa	.	.	Approved	1	Approved Drug(s)	Approved	Recombinant protein	.	. 	DB00012	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00672	Eculizumab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	DB01257	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00673	Methoxy polyethylene glycol-epoetin beta	.	.	Approved	1	Approved Drug(s)	Approved	Polymeric compound	.	. 	DB09107	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00674	Retapamulin	6918462	"Retapamulin; 224452-66-8; Altabax; Altargo; SB-275833; SB 275833; UNII-4MG6O8991R; SB275833; 4MG6O8991R; [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate; (3as,4r,5s,6s,8r,9r,9ar,10r)-5-Hydroxy-4,6,9,10-Tetramethyl-1-Oxo-6-Vinyldecahydro-3a,9-Propanocyclopenta[8]annulen-8-Yl {[(3-Exo)-8-Methyl-8-Azabicyclo[3.2.1]oct-3-Yl]thio}acetate; Retapamulin [USAN:INN:BAN]; NSC-759885; CHEMBL1658; SCHEMBL365459; C30H47NO4S; GTPL11035; CHEBI:166679; (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ylsulfanyl)acetic acid 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinylperhydro-3a,9-propanocyclopentacycloocten-8-yl ester; ZINC3931840; MFCD11045316; s4056; AKOS016008865; AKOS030485971; ZINC100013500; ZINC103660515; CCG-269837; CS-0618; DB01256; NSC 759885; NCGC00386248-01; AS-11455; HY-17010; AB01566905_01; 452R668; A851322; Q7316645; BRD-K33082088-001-03-3; (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-{[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl}acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta(8)annulen-8-yl (((1R,3s,5S)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)sulfanyl)acetate; (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate; [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulanyl]acetate; Acetic acid, (((3-exo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)thio)-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:166679	DB01256	.	.	517.799	C30H47NO4S	92.1	895	6.1	36	1	6	6	"1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22 ,24-,26+,27+,28-,29+,30+/m1/s1"	C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C	STZYTFJPGGDRJD-FJJJPKKESA-N
DG00675	Sodium stibogluconate	16685687	"Sodium Stibogluconate,(S)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB05630	.	.	925.9	C12H37Na3O27Sb2	325	739	.	44	16	27	4	"1S/2C6H10O7.3Na.10H2O.3O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;/h2*2-5,7-8,10H,1H2,(H,12,13);;;;10*1H2;;;;;/q2*-2;3*+1;;;;;;;;;;;;;-1;+2;+3/p-3/t2*2-,3-,4-,5-;;;;;;;;;;;;;;;;;;/m11................../s1"	C([C@H]([C@@H]1[C@H]([C@@H](O[Sb](=O)(O[C@@H]([C@H]([C@@H](O[Sb](=O)(O1)O)C(=O)[O-])O)[C@@H](CO)O)[O-])C(=O)[O-])O)O)O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]	VJCZMGLJTJZFEN-ZYPIZMQFSA-K
DG00676	Sulfamethoxazole and Doxycycline	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	. 	DB00015	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00679	Furantoin	132988179	"Furantoin-13C,15N3"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7773	DB00904	.	.	242.13	C8H6N4O5	121	390	-0.5	17	1	6	2	"1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-/i8+1,9+1,10+1,11+1"	C1C(=O)[15NH][13C](=O)[15N]1/[15N]=C\\C2=CC=C(O2)[N+](=O)[O-]	NXFQHRVNIOXGAQ-XFHUPTTISA-N
DG00680	Polymorphism	.	.	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00736	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG00681	Pyrazinamide	1046	"Pyrazinamide; pyrazinecarboxamide; 98-96-4; pyrazine-2-carboxamide; pyrazinoic acid amide; Zinamide; 2-Pyrazinecarboxamide; Aldinamide; Aldinamid; Pirazinamid; Tebrazid; Farmizina; Pirazimida; Pyrazineamide; Unipyranamide; Eprazin; Novamid; Pyrafat; pyrazine carboxylamide; 2-Carbamylpyrazine; Pyrazinecarboxylic acid amide; Pyrazinamidum; Isopas; Pirazinamide; Pyrazine carboxamide; D-50; MK 56; C5H5N3O; PZA; NCI-C01785; UNII-2KNI5N06TI; MFCD00006132; NSC 14911; T 165; Pirazinamida; Tisamid; 2KNI5N06TI; MLS000069730; Pezetamid; Piraldina; Pyrazide; CHEBI:45285; Rozide; NSC14911; Pyrazinamide (Pyrazinoic acid amide); NSC-14911; NCGC00015833-09; Pyrazinamdie; SMR000036662; Pirazinamide [DCIT]; DSSTox_CID_1215; DSSTox_RID_76014; DSSTox_GSID_21215; Pyrazinamidum [INN-Latin]; Pirazinamida [INN-Spanish]; pyramizade; Rifafour; D-50 (VAN); DRG 0124; CAS-98-96-4; CCRIS 545; Pyrazinamide (TN); Rifafour e-200; HSDB 3576; SR-01000076077; EINECS 202-717-6; BRN 0112306; pyrazinamida; Pyrizinamide; pyrazine amide; AZT + Pyrazinamide combination; Pyrazine-2-carboxylic acid amide; Pyrazinamide,(S); Pyrazinamide [USP:INN:BAN:JAN]; Prestwick_811; .alpha.-pyrazinamide; 2-pyrazine carboxamide; Spectrum_000902; Opera_ID_735; Prestwick0_000514; Prestwick1_000514; Prestwick2_000514; Prestwick3_000514; Spectrum2_001305; Spectrum3_001046; Spectrum4_001186; Spectrum5_001026; Lopac-P-7136; CHEMBL614; P 7136; WLN: T6N DNJ BVZ; pyrazine-2-carboximidic acid; Lopac0_001011; SCHEMBL24102; BSPBio_000467; BSPBio_002572; KBioGR_001851; KBioSS_001382; 5-25-04-00178 (Beilstein Handbook Reference); MLS002222347; BIDD:GT0228; DivK1c_000241; SPECTRUM1500518; SPBio_001369; SPBio_002388; BPBio1_000515; GTPL7287; ZINC2005; DTXSID9021215; HMS500M03; KBio1_000241; KBio2_001382; KBio2_003950; KBio2_006518; KBio3_001792; Pyrazinamide (JP17/USP/INN); NINDS_000241; BDBM228814; HMS1569H09; HMS1920N08; HMS2092E09; HMS2096H09; HMS2235G17; HMS3259O04; HMS3263K03; HMS3371G09; HMS3655A10; HMS3713H09; KUC109577N; Pharmakon1600-01500518; ACT01761; AMY14180; BCP30257; HY-B0271; KSC-27-052E; Pyrazine-[d3]-carboxamide-[15N]; Tox21_110237; Tox21_202059; Tox21_302771; Tox21_501011; CCG-39243; NSC757304; s1762; STK801661; AKOS000120280; Tox21_110237_1; DB00339; LP01011; MCULE-6846697749; NC00534; NSC-757304; Pyrazinecarboxamide, analytical standard; SDCCGSBI-0050984.P005; IDI1_000241; NCGC00015833-01; NCGC00015833-02; NCGC00015833-03; NCGC00015833-04; NCGC00015833-05; NCGC00015833-06; NCGC00015833-07; NCGC00015833-08; NCGC00015833-10; NCGC00015833-11; NCGC00015833-12; NCGC00015833-15; NCGC00015833-16; NCGC00015833-25; NCGC00090695-01; NCGC00090695-03; NCGC00090695-04; NCGC00090695-05; NCGC00090695-06; NCGC00090695-07; NCGC00256336-01; NCGC00259608-01; NCGC00261696-01; Pyrazinoic acid amide; pyrazinamide; PZA; CAS- 98-96-4; SY013550; TS-01626; SBI-0050984.P004; DB-002866; AB00052083; B2122; BB 0253141; EU-0101011; FT-0659757; P0633; SW196945-3; C01956; D00144; D70481; J10111; 1,2-dihydro-1,2,4-triazol-3-one;Pyrazinamide; AB00052083-16; AB00052083_17; AB00052083_18; A845937; AC-907/25014068; Q417571; SR-01000076077-1; SR-01000076077-4; SR-01000076077-6; W-100059; Z33546644; Pyrazinamide, British Pharmacopoeia (BP) Reference Standard; Pyrazinamide, European Pharmacopoeia (EP) Reference Standard; 2-Carbamylpyrazine ;Aldinamid ;Aldinamide; Pyrazinoic acid amide; Pyrazinamide, United States Pharmacopeia (USP) Reference Standard; Pyrazinamide, Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45285	DB00339	.	DR1372	123.11	C5H5N3O	68.9	115	-0.6	9	1	3	1	"1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)"	C1=CN=C(C=N1)C(=O)N	IPEHBUMCGVEMRF-UHFFFAOYSA-N
DG00687	Fosmidomycin	572	"Fosmidomycin; 66508-53-0; Fosmidomycina; Fosmidomycine; Fosmidomycinum; 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID; {3-[formyl(hydroxy)amino]propyl}phosphonic acid; UNII-5829E3D9I9; 3-(N-hydroxyformamido)propylphosphonic acid; CHEMBL203125; Fosmidomycin sodium salt hydrate; CHEBI:443725; FR-31564; 5829E3D9I9; (3-(N-Hydroxyformamido)propyl)phosphonic acid; C4H10NO5P; FOM; FR 31564; 66508-37-0; Fosmidomycine [INN-French]; Fosmidomycinum [INN-Latin]; Fosmidomycina [INN-Spanish]; Fosmidomycin [INN]; [3-(N-hydroxyformamido)propyl]phosphonic acid; Antibiotic FR-31705; 3-(Formyl-hydroxy-amino)propylphosphonic acid; 3-(N-Formyl-N-hydroxyamino)-propylphosphonic acid; SCHEMBL301404; GTPL9739; DTXSID70216712; (3-(Formylhydroxyamino)propyl)phosphonic acid, monosodium salt; BDBM50153713; ZINC12502867; AKOS006272014; DB02948; NCGC00264107-01; NCGC00264107-02; R980; 3-(formyl-hydroxyamino)propylphosphonic acid; 3-(N-formyl-N-hydroxyamino)propylphosphonic acid; [3-(Formyl-hydroxy-amino)-propyl]-phosphonic acid; Q905038; (3-(Formylhydroxyamino)propyl)phosphonic acid sodium salt; (3-(N-Hydroxyformamido)propyl)phosphonic acid sodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:443725	DB02948	.	.	183.1	C4H10NO5P	98.1	166	-2.2	11	3	5	4	"1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)"	C(CN(C=O)O)CP(=O)(O)O	GJXWDTUCERCKIX-UHFFFAOYSA-N
DG00693	Menthol	1254	"MENTHOL; dl-Menthol; 1490-04-6; 2-Isopropyl-5-methylcyclohexanol; Cyclohexanol, 5-methyl-2-(1-methylethyl)-; 15356-70-4; 89-78-1; p-Menthan-3-ol; Racementhol; (+/-)-Menthol; 5-methyl-2-propan-2-ylcyclohexan-1-ol; Hexahydrothymol; Menthol [USP]; rac-Menthol; CHEBI:25187; Menthyl alcohol; (1R,2S,5R)-Menthol; Menthol, dl-; Menthol (USP); MFCD00001484; (1S, 2S, 5R)-(+)-Neomenthol; 5-methyl-2-(propan-2-yl)cyclohexanol; 5-methyl-2-(propan-2-yl)cyclohexan-1-ol; DSSTox_CID_805; DSSTox_RID_78794; DSSTox_GSID_29650; Racemic menthol; FEMA No. 2665; Caswell No. 540; 3-p-Menthanol; Mentholum; Mineral ice; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-; Therapeutic mineral ice; 3-p-Menthol; CAS-1490-04-6; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-; CCRIS 9231; 3-Hydroxy-p-menthane; Fisherman's friend lozenges; Robitussin Cough Drops; (1R,2R,5R)-Isomenthol; EINECS 216-074-4; EPA Pesticide Chemical Code 051601; (+/-)-p-Menthan-3-ol; Menthol, cis-1,3,trans-1,4-; (1S,2R,5R)-(+)-Isomenthol; 5-Methyl-2-(1-methylethyl)-cyclohexanol; NSC-2603; AI3-08161; HSDB 593; Menthol racemate; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-; 2-Isopropyl-5-methyl-cyclohexanol; (-)menthol; NCGC00159382-02; (-) menthol; 2-Isopropyl-5-methylcyclohexan-1-ol; 4-Isopropyl-1-methylcyclohexan-3-ol; Menthol, 99%; dl-Menthol (JP17); 1-methyl-4-isopropyl-3-hydroxycyclohexane; EC 216-074-4; SCHEMBL4612; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-; Menthol, (.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)-rel-; Menthol, puriss., 99.0%; CHEMBL256087; DL-Menthol, analytical standard; DTXSID8029650; AMY3077; Fisherman's friend lozenges (TN); BDBM248162; HMS3744K19; 2-Isopropyl-5-methylcyclohexanol #; 3623-52-7; BCP27552; BCP31841; CS-M3737; HY-N1369; menthol crystals; 15356-70-4; Tox21_200010; Tox21_303464; BBL009325; DL-Menthol, >=95%, FCC, FG; STK802468; ( inverted exclamation markA)-Menthol; AKOS000119740; AKOS016843634; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-; AM81446; MCULE-3070949324; SB35230; SB44308; SB44857; (2R)-2-isopropyl-5-methyl-cyclohexanol; Menthol 1000 microg/mL in Acetonitrile; Menthol, SAJ special grade, >=98.0%; NCGC00159382-03; NCGC00159382-04; NCGC00159382-05; NCGC00159382-06; NCGC00257403-01; NCGC00257564-01; HY-75161; K601; SY004225; SY010603; VS-02042; DB-063989; Levomenthol; D-(-)-Menthol; (-)-Menthol; CS-0016777; FT-0600039; FT-0604399; FT-0604426; FT-0604430; FT-0620596; FT-0625488; FT-0695077; FT-0695078; FT-0695079; M0321; (+/-)-Menthol, racemic, >=98.0% (GC); 2-Isopropy-5-methylcyclohexanol-1,2,6,6-d4; D04849; D04918; E80543; (1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol; A808833; A809442; J-500418; Q27109870; Z1258992394; Menthol-plus it inverted exclamation markas 3 isomers-1,2,6,6-d4; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-; L-Menthol; (-)-Menthol; Levomenthol; Menthomenthol;2-isopropyl-5-methyl-cyclohexanol;Menthol; Menthol solution, NMR reference standard, 30 wt. % in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.; Menthol solution, NMR reference standard, 50% in chloroform-d (99.8 atom % D), chromium(III) acetylacetonate 0.5 %, NMR tube size 5 mm x 8 in."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:25187	.	.	.	156.26	C10H20O	20.2	120	3	11	1	1	1	"1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3"	CC1CCC(C(C1)O)C(C)C	NOOLISFMXDJSKH-UHFFFAOYSA-N
DG00699	Alprazolam	2118	"Alprazolam; Xanax; 28981-97-7; Trankimazin; Tafil; Tranquinal; Alplax; Constan; Frontal; Niravam; Solanax; Xanor; Apo-Alpraz; 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Xanax XR; Alcelam; Anpress; Relaxol; Tricalma; Valeans; Xanagis; Zolarem; Alpaz; Alpram; Alzam; Panix; Prinox; Zoldac; Zotran; Alprazolam intensol; TUS-1; Xanolam; Zolam; Zopax; Zopic; Tafil D; Xanax TS; D 65MT; 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; UNII-YU55MQ3IZY; Cassadan; Esparon; Neurol; U 31889; U-31,889; Alpronax; Alzolam; Bestrol; Ralozam; Alprox; Restyl; YU55MQ3IZY; CHEMBL661; U-31889; Novo-Alprazol; 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine; Nu-Alpraz; 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-; CHEBI:2611; Alprazolamum; Pharnax; Prazolan; Tensivan; Zacetin; Zanapam; Alprax; Ksalol; Mialin; Prazam; Unilan; Zoldax; Algad; Alzon; Helex; Zaxan; Zenax; Gen-Alprazolan; 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; NSC-760140; NCGC00159466-02; Alprazolamum [INN-Latin]; Tus 1; Panistat; Alprazolam extended release tablets; Staccato-alprazolam; SMR000149316; Xanax (TN); HSDB 7207; EINECS 249-349-2; AZ-002; TGAR01P; BRN 1223125; Alprazolam civ; DEA No. 2882; 08H; Alprazolam [USAN:USP:INN:BAN:JAN]; AP-1002; 3u5j; DSSTox_CID_2577; SCHEMBL8398; DSSTox_RID_76639; BIDD:PXR0150; DSSTox_GSID_22577; ZINC903; MLS000559000; MLS000759485; MLS001423979; BIDD:GT0475; Alprazolam (JP17/USP/INN); GTPL7111; DTXSID4022577; HMS2051A10; HMS3393A10; Pharmakon1600-01502395; Alprazolam 0.1 mg/ml in Methanol; Alprazolam 1.0 mg/ml in Methanol; BCP28608; Tox21_111692; BBL028160; BDBM50001728; NSC760140; STK590494; AKOS005066050; CCG-100855; DB00404; MCULE-1215564244; NC00105; NSC 760140; 4H-(1,2,4)Triazolo(4,3-alpha)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-; NCGC00159466-03; 51339-48-1; AC-18721; CAS-28981-97-7; C06817; D00225; 981A977; A819702; Q319877; U 31,889; W-107015; BRD-K32398298-001-01-4; Alprazolam, European Pharmacopoeia (EP) Reference Standard; 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a] [1,4] benzodiazepine; 8-chloro-1-methyl-6-phenyl-4H-s-triazolo [4,3-a][1,4] benzodiazepine; 8-chloro-6-phenyl-1-methyl-4H-s-triazolo-[4,3-a][1,4]benzodiazepine; (Z)-8-chloro-1-methyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine; 8-chloranyl-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Alprazolam solution, 1 mg/mL in methanol, analytical standard, for drug analysis; Alprazolam solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene; 1246182-61-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2611	DB00404	DR01197	DR0075	308.8	C17H13ClN4	43.1	434	2.1	22	0	3	1	"1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3"	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	VREFGVBLTWBCJP-UHFFFAOYSA-N
DG00702	Amsacrine	2179	"Amsacrine; 51264-14-3; m-AMSA; Amsidine; Amsidyl; Acridinylanisidide; Amekrin; Amsacrina; Lamasine; mAMSA; AMSA; Acridinyl Anisidide; Amsacrinum; Amsine; 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide; 4'-(9-Acridinylamino)methanesulfon-m-anisidide; SN-11841; 4'-(9-Acridinylamino)methanesulphon-m-anisidide; N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide; CI-880; NSC249992; NSC 156303; NSC 249992; NSC-249992; 4'-(9-Acridinylamino)methanesulfon-meta-anisidide; SN 21429; UNII-00DPD30SOY; Methanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-; NSC-156303; CHEMBL43; N-[4-(9-Acridinylamino)-3-methoxyphenyl]methanesulfonamide; m-AMSA;acridinyl anisidide; 00DPD30SOY; CHEBI:2687; Methanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-; meta-Amsacrine; NSC-141549; Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-; N-[4-(acridin-9-ylamino)-3-(methyloxy)phenyl]methanesulfonamide; Amsacrinum [INN-Latin]; Amsacrina [INN-Spanish]; m-AMSA hydrochloride; acridinyl anisidide hydrochloride; amsidil; Amecrin; MLS002153376; nAMSA; Amsidyl (TN); CCRIS 1027; HSDB 7087; Amsacrine (USAN/INN); SMR000875352; EINECS 257-094-3; CI 880; AMSA, M-; BRN 0500176; Amsacrine [USAN:INN:BAN]; Lopac-A-9809; NCIMech_000607; Neuro_000118; SCHEMBL4047; Lopac0_000154; 5-22-11-00030 (Beilstein Handbook Reference); MLS006010099; cid_148673; DTXSID4022604; BDBM87351; HMS3748E05; N-[4-(9-Acridinylamino)-3-methoxy-phenyl]methanesulfonamide; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide; BCA26414; BCP08958; ZINC3812923; CCG-35555; MFCD00242748; AKOS015917522; CS-1942; DB00276; NCI-249992; SDCCGSBI-0050142.P003; NCGC00015113-01; NCGC00015113-02; NCGC00015113-03; NCGC00015113-04; NCGC00093644-10; NCGC00162077-01; AS-11665; HY-13551; NCI60_001995; SMR000857391; SN-21429; WLN: T C666 BNJ IMR BO1 DMSW1; DB-082052; FT-0708980; C01553; C75400; D02321; 4'-(9-Acridinylamino)methanesulfonyl m-anisidide; 301A154; 4'-(9-Acridinylamino)-methylsulfonyl-m-anisidine; A918341; Q2784004; AMSA;m-AMSA;CI-880;SN-11841;acridinyl anisidide; N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide;hydrochloride; N-{4-[(ACRIDIN-9-YL)AMINO]-3-METHOXYPHENYL}METHANESULFONAMIDE; ASW"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:2687	DB00276	DR00917	DR0109	393.5	C21H19N3O3S	88.7	601	4	28	2	6	5	"1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42	XCPGHVQEEXUHNC-UHFFFAOYSA-N
DG00707	Brimonidine	2435	"Brimonidine; 59803-98-4; Bromoxidine; UK 14,304; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine; 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline; 5-bromo-6-(imidazolin-2-ylamino)quinoxaline; AGN 190342; 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-; UK-14304; UNII-E6GNX3HHTE; UK 14304; AGN-190342; MLS000069370; E6GNX3HHTE; MFCD00153878; CHEMBL844; SMR000058355; CHEBI:3175; NSC-318825; NCGC00016069-09; UK 14304;AGN190342; DSSTox_CID_25221; DSSTox_RID_80758; DSSTox_GSID_45221; UK 14304 (tartrate);AGN190342 (tartrate); 5-Bromo-N-(2-imidazolin-2-yl)-6-quinoxalinamine; Brimonidine [INN:BAN]; [3H]brimonidine; C11H10BrN5; CAS-59803-98-4; N-(5-bromoquinoxalin-6-yl)imidazolidin-2-imine; SR-01000000023; brimonidina; brimonidinum; BRN 0751629; LK 14304-18; Brimonidine (INN); AGN190342; UK14304; Tocris-0425; [3H]-UK14304; Opera_ID_612; Lopac-U-104; cid_2435; Lopac0_001216; SCHEMBL24670; GTPL520; MLS001076349; BIDD:GT0649; GTPL5386; DTXSID3045221; BDBM34572; 5-Bromo-N-(4,5-dihydro-2-imidazolyl)quinoxalin-6-amine; AGN-190342 FREE BASE; HMS3259P09; HMS3263D14; HMS3266O03; HMS3411K05; HMS3675K05; HMS3887K07; AMY22318; BCP12632; EX-A5415; HY-B0659; Tox21_110299; Tox21_501216; UK-1430418 FREE BASE; AC-162; NSC318825; PDSP1_000640; PDSP2_000635; s9508; ZINC21303210; AKOS005267239; Tox21_110299_1; CCG-205290; DB00484; GS-3236; LP01216; MCULE-4542695850; NC00638; NSC 318825; SDCCGSBI-0051183.P002; MRF-0000657; NCGC00016069-01; NCGC00016069-02; NCGC00016069-03; NCGC00016069-04; NCGC00016069-05; NCGC00016069-06; NCGC00016069-07; NCGC00016069-08; NCGC00016069-10; NCGC00016069-11; NCGC00016069-12; NCGC00016069-13; NCGC00016069-24; NCGC00023468-02; NCGC00023468-04; NCGC00023468-05; NCGC00023468-06; NCGC00023468-07; NCGC00261901-01; SY053060; UK14,304; Brimonidine 100 microg/mL in Acetonitrile; B4132; EU-0101216; FT-0630717; FT-0650586; EN300-50880; UK 14304-18; C07886; C75796; D07540; 5-bromo-6-(2-imidazolidinylidenamino)quinoxaline; 5-bromo-6-(2-imidazolin-2-ylamino) quinoxaline; 5-Bromo-6-(2-imidazolin-2-ylamino)-quinoxaline; 6-Quinoxalinamine,5-dihydro-1H-imidazol-2-yl)-; 803B984; A832477; L000615; Q577377; SR-01000000023-2; SR-01000000023-4; BRD-K68264559-001-10-0; Z802671510; (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine; 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3175	DB00484	.	.	292.13	C11H10BrN5	62.2	308	0.6	17	2	3	2	"1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)"	C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br	XYLJNLCSTIOKRM-UHFFFAOYSA-N
DG00722	Eflornithine	3009	"EFLORNITHINE; 70052-12-9; Ornidyl; 2-(Difluoromethyl)ornithine; dfmo; 2,5-diamino-2-(difluoromethyl)pentanoic acid; Difluoromethylornithine; Vaniqa; alpha-Difluoromethylornithine; 2-(Difluoromethyl)-DL-ornithine; Eflornithine free base; alpha-(Difluoromethyl)-DL-ornithine; Difluromethylornithine; RMI 71782; 67037-37-0; DL-.alpha.-Difluoromethylornithine; CHEMBL830; DFMO HCl; CHEBI:41948; 70052-12-9 (free base); NSC337250; Eflornithinum; Eflornitina; Eflornithinum [Latin]; Eflornitina [Spanish]; 2,5-diamino-2-(difluoromethyl)pentanoic acid.; .alpha.-DFMO HCl; DFMO (growth regulator); Eflornithine [INN:BAN]; 70050-56-5; L-DFMO;L-RMI71782;L-alpha-difluoromethylornithine; DL-alpha-(Difluoromethyl)ornithine; DL-Ornithine, monohydrochloride; MDL 71782; Eflornithine (INN); CCRIS 3295; Ornithine, 2-(difluoromethyl)-; NSC-337250; DL-Ornithine, 2-(difluoromethyl)-; (-)-2-Difluoromethylornithine; BRN 2250529; alpha,delta-Diamino-alpha-(difluoromethyl)valeric acid; SR-01000076229; C6H12F2N2O2; HSDB 7923; alpha-DFMO; (RS)-eflornithine; RFI 7178; Lopac0_000429; SCHEMBL26327; GTPL5176; 2-(difluoromethyl)-L-ornithine; alpha-difluoromethyl-dl-ornithine; DTXSID3020467; H-DL-(a-Difluoromethyl)Orn-OH; BCP10516; HY-B0744; 2-(difluoromethyl)ornithine (DMFO); BDBM50028197; HSCI1_000267; MFCD00221766; AKOS006281180; CCG-204521; DB06243; SDCCGSBI-0050414.P002; NCGC00015316-02; NCGC00015316-03; NCGC00015316-06; NCGC00015316-15; NCGC00162152-01; K100; 2-difluoromethyl-2,5-diaminopentanoic acid; DB-055371; FT-0630795; FT-0720946; FT-0775156; 2-(difluoromethyl)-2,5-diaminopentanoic acid;; C07997; D07883; 020E916; A936641; Q424751; (RS)-2,5-diamino-2-(difluoromethyl)pentanoic acid; DFMO;MDL71782;RMI71782;; A-difluoromethylornithine; SR-01000076229-10"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06243	DR00843	.	182.17	C6H12F2N2O2	89.3	166	-2.9	12	3	6	5	"1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)"	C(CC(C(F)F)(C(=O)O)N)CN	VLCYCQAOQCDTCN-UHFFFAOYSA-N
DG00725	Diethylcarbamazine	3052	"Diethylcarbamazine; 90-89-1; N,N-diethyl-4-methylpiperazine-1-carboxamide; Carbamazine; Diethyl carbamazine; Carbilazine; Ethodryl; Notezine; Bitirazine; Caricide; Cypip; Ditrazine Base; Caracide; Spatonin; N,N-Diethyl-4-methyl-1-piperazinecarboxamide; 1-Piperazinecarboxamide, N,N-diethyl-4-methyl-; N,N-Diethylcarbamazine; UNII-V867Q8X3ZD; RP 3799; 84L; CHEBI:4527; V867Q8X3ZD; Bitirazine; Caracide;Carbamazine; MMV002816; Diaethylcarbamazinum; Dietilcarbamazina; Diethylcarbamazinum; Diethylcarbamazine [INN:BAN]; Camin; Diethylcarbamazinum [INN-Latin]; Dietilcarbamazina [INN-Spanish]; NSC1364; Camin (TN); Diethylcarbamazine (INN); EINECS 202-023-3; 1-Diethylcarbamoyl-4-Methylpiperazine; BRN 0143029; AI3-19612; 1-Diethylcarbamyl-4-methylpiperazine; 1-Methyl-4-diethylcarbamoylpiperazine; Banocide (Salt/Mix); Caritrol (Salt/Mix); Nemacide (Salt/Mix); Spectrum_000938; NN-Diethyl-4-methyl-1-piperazinecarboxamide; Prestwick0_000284; Prestwick1_000284; Prestwick2_000284; Prestwick3_000284; Spectrum2_001022; Spectrum3_000390; Spectrum4_000511; Spectrum5_000877; diethyl carbamazine citrate; CHEMBL684; EC 202-023-3; SCHEMBL67289; BSPBio_000188; BSPBio_002179; KBioGR_001081; KBioSS_001418; 4-23-00-00225 (Beilstein Handbook Reference); DivK1c_000548; SPBio_001203; SPBio_002407; BPBio1_000208; ZINC1288; DTXSID1022928; KBio1_000548; KBio2_001418; KBio2_003986; KBio2_006554; KBio3_001399; NINDS_000548; HMS3604F12; 1-Diethylcarbamoyl-4-methylpiperzine; HY-12642A; MFCD00023288; AKOS003268016; DB00711; DS-9360; MCULE-7296820622; IDI1_000548; s10791; NCGC00178778-01; NCGC00178778-02; NCGC00178778-07; SBI-0051345.P003; DB-080764; R.P. 3799; 1-(N,N-Diethylcarbamoyl)-4-methylpiperazine; AB00053457; CS-0013568; FT-0624832; C07968; D07825; N,N-diethyl-4-methyl-piperazine-1-carboxamide; AB00053457_12; Q409267; SR-01000759234-8; BRD-K45542189-048-05-6; BRD-K45542189-048-15-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4527	DB00711	.	.	199.29	C10H21N3O	26.8	184	0.3	14	0	2	2	"1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3"	CCN(CC)C(=O)N1CCN(CC1)C	RCKMWOKWVGPNJF-UHFFFAOYSA-N
DG00727	Diphenhydramine	3100	"Diphenhydramine; 58-73-1; Benadryl; Benzhydramine; 2-(Benzhydryloxy)-N,N-dimethylethanamine; Alledryl; Probedryl; Dihidral; Antistominum; Benzhydraminum; Benzhydroamina; Diphantine; Diphenylhydramine; Difenhydramin; Allergical; Bagodryl; Baramine; Benachlor; Benadrin; Benodine; Benzantine; Benzhydril; Betramin; Debendrin; Dermistina; Dermodrin; Desentol; Diabenyl; Diabylen; Dibondrin; Difedryl; Drylistan; Histaxin; Hyadrine; Ibiodral; Medidryl; Mephadryl; Novamina; Syntedril; Amidryl; Antomin; Benapon; Benodin; Benylan; Benylin; Dabylen; Dylamon; Nausen; Antitussive; Difenidramina; Dimedrol base; Difenhidramina; Allergina; Benzhydryl; Hydramine; Beldin; Dibenil; Diphen; Silphen; Belix; Diphenhydraminum; 2-(Benzhydryloxy)-N,N-dimethylethylamine; O-Benzhydryldimethylaminoethanol; Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-; Dimehydrinate; FAR 90X2; 2-(diphenylmethoxy)-N,N-dimethylethanamine; alpha-(2-Dimethylaminoethoxy)diphenylmethane; PM 255; beta-Dimethylaminoethanol diphenylmethyl ether; N-(2-(Diphenylmethoxy)ethyl)-N,N-dimethylamine; 2-(Diphenylmethoxy)-N,N-dimethylethylamine; UNII-8GTS82S83M; N-(Benzhydryloksy-etylo)dwumetyloamina; 2-benzhydryloxy-N,N-dimethylethanamine; [2-(diphenylmethoxy)ethyl]dimethylamine; Automin; Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-; CHEMBL657; 2-diphenylmethoxy-N,N-demthylethanamine; beta-dimethylaminoethyl benzhydryl ether; N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE; 58-73-1 (free base); 8GTS82S83M; CHEBI:4636; Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-; Dimedrolum; Allergan; Benzantin; NCGC00015335-07; Allergeval; Dibendrin; Dimedryl; Dryistan; Rigidil; Syntodril; Aleryl; Ben-allergin; Allergan B; DSSTox_CID_2949; Difenidramina [Italian]; DSSTox_RID_76803; DSSTox_GSID_22949; Difenhidramina [INN-Spanish]; Diphenhydraminum [INN-Latin]; Diphenhydramine [INN:BAN:JAN]; CAS-58-73-1; beta-Dimethylaminoethylbenzhydrylether; Restamin (TN); 2-Diphenylmethoxy-N,N-dimethylethylamine; CCRIS 1959; HSDB 3066; N-[2-(Diphenylmethoxy)ethyl]-N,N-dimethylamine; Benadryl (hydrochloride); NCGC00015335-09; CAS-147-24-0; EINECS 200-396-7; N-(Benzhydryloksy-etylo)dwumetyloamina [Polish]; beta-Dimethylamino-aethyl-benzhydryl-aether [German]; BRN 1914136; Difenhydramine; Diphenhdyra; Dobacen; beta-Dimethylamino-aethyl-benzhydryl-aether; Allergan (Salt/Mix); Eldadryl (Salt/Mix); Histacyl (Salt/Mix); Restamin (Salt/Mix); Spectrum_000980; 2-benzhydryloxyethyl-N,N-dimethylammonium; Antitussive (Salt/Mix); Prestwick0_000065; Prestwick1_000065; Prestwick2_000065; Prestwick3_000065; Spectrum2_000961; Spectrum3_000400; Spectrum4_000520; Spectrum5_000915; Lopac-D-3630; 2-[(diphenylmethyl)oxy]-N,N-dimethylethanamine; EC 200-396-7; Cambridge id 6699980; SCHEMBL4064; Lopac0_000377; Oprea1_254625; BSPBio_000249; BSPBio_002219; Dimethylamine benzhydryl ester; KBioGR_001099; KBioSS_001460; 2PM; MLS002222276; BIDD:GT0152; Diphenhydramine (JP17/INN); DivK1c_000368; SPBio_000961; SPBio_002170; BPBio1_000275; GTPL1224; 2-(Benzhydryloxy)-N,N-dimethylethylamine, hydrochloride; DTXSID4022949; KBio1_000368; KBio2_001460; KBio2_004028; KBio2_006596; KBio3_001439; ZINC20244; N,N-Dimethyl-2-(diphenylmethoxy)-ethylamine hydrochloride; NINDS_000368; O-Benzhydryl(dimethylamino)ethanol; HMS2089E06; HMS2230L19; HMS3373E03; HY-B0303; Tox21_110127; BDBM50017674; MFCD00274173; MFCD31699960; NSC665800; STK103720; AKOS003658554; Tox21_110127_1; (2-Benzhydryloxy-ethyl)-dimethyl-amine; CCG-204472; DB01075; GS-3196; MCULE-6260910826; NSC-665800; SDCCGSBI-0050365.P005; IDI1_000368; NCGC00015335-01; NCGC00015335-02; NCGC00015335-03; NCGC00015335-04; NCGC00015335-05; NCGC00015335-06; NCGC00015335-08; NCGC00015335-10; NCGC00015335-11; NCGC00015335-12; NCGC00015335-13; NCGC00015335-14; NCGC00015335-17; NCGC00015335-28; NCGC00024414-03; NCGC00024414-04; NCGC00024414-06; AC-13704; NCI60_002916; NCI60_022782; S 51; SMR001307259; SY246339; 2-(Benzohydryloxy)-N,N-dimethylethylamine; N,N-Dimethyl-2-diphenylmethyloxyethylamine; SBI-0050365.P004; 2-(Benzhydryloxy)-N,N-dimethylethanamine #; .beta.-(Dimethylamino)ethyl benzhydryl ether; .beta.-Dimethylamino-aethyl-benzhydryl-aether; AB00053460; CS-0013574; D4744; Ethylamine, 2-diphenylmethoxy-N,N-dimethyl-; FT-0625221; 2-[di(phenyl)methoxy]-N,N-dimethylethanamine; .alpha.-(2-Dimethylaminoethoxy)diphenylmethane; C06960; D00300; F19220; AB00053460-22; AB00053460-23; AB00053460_24; AB00053460_25; .beta.-(Dimethylamino)ethanol diphenylmethyl ether; 274D173; A831996; DIPHENHYDRAMINE; ANTISTOMINUM; BENZHYDRAMINE; Diphenylmethanol, (N,N-dimenthylaminoethyl) ether; L000227; Q413486; Q-201002; BRD-K47278471-003-05-7; BRD-K47278471-003-15-6; 110491-04-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4636	DB01075	DR00385	DR0514	255.35	C17H21NO	12.5	211	3.3	19	0	2	6	"1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3"	CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2	ZZVUWRFHKOJYTH-UHFFFAOYSA-N
DG00731	Droperidol	3168	"Droperidol; 548-73-2; Droleptan; Inapsine; Dehydrobenzperidol; Dridol; Properidol; Sintodril; Sintosian; Inapsin; Vetkalm; Halkan; Deidrobenzperidolo; Inopsin; Innovar; Inappin; Innovan; McN-JR-4749; Inoval; Dehidrobenzperidol; Droperidolum; Droperidolo; Leptofen; Thalamanol; Thalamonal; Innovar-vet; Dihidrobenzperidol; R-4749; McN-JR 4749; component of Innovar; R 4749; NSC 169874; 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; UNII-O9U0F09D5X; 1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; CHEMBL1108; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; MLS000028671; CHEBI:4717; O9U0F09D5X; 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; Dehydrobenzoperidol; MFCD00083290; NSC169874; NSC-169874; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; 1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one; 2H-Benzimidazol-2-one, 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-; NCGC00016504-01; CAS-548-73-2; Droperidolo [DCIT]; SMR000058855; DSSTox_CID_2973; DSSTox_RID_76811; DSSTox_GSID_22973; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one; Droperidolum [INN-Latin]; Neurolidol; Ina.psi.ne; Ina.psi.n; Ino.psi.n; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-; 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-; Droleptan (TN); 1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one; CCRIS 9070; HSDB 3320; R4749; SR-05000001546; INAPSINE (TN); EINECS 208-957-8; BRN 0579168; Droperidol USP; 1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone; 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2h-benzimidazol-2-one; Prestwick_705; Innovar (Salt/Mix); Droperidol [USAN:USP:INN:BAN:JAN]; HS-0065; Leptanal (Salt/Mix); Leptofen (Salt/Mix); Spectrum_001220; Thalamonal (Salt/Mix); Innovar-vet (Salt/Mix); Opera_ID_1751; Prestwick0_000360; Prestwick1_000360; Prestwick2_000360; Prestwick3_000360; Spectrum2_001386; Spectrum3_001426; Spectrum4_000407; Spectrum5_001305; SCHEMBL41426; BSPBio_000459; BSPBio_003132; KBioGR_000674; KBioSS_001700; 5-24-02-00388 (Beilstein Handbook Reference); MLS000758203; MLS001148120; MLS001424134; MLS002153445; DivK1c_000103; SPECTRUM1501002; SPBio_001372; SPBio_002380; BPBio1_000505; Droperidol (JP17/USP/INN); GTPL7172; DTXSID6022973; HMS500F05; KBio1_000103; KBio2_001700; KBio2_004268; KBio2_006836; KBio3_002352; NINDS_000103; HMS1569G21; HMS1921B03; HMS2051L06; HMS2092O16; HMS2096G21; HMS2232M09; HMS3374B05; HMS3393L06; HMS3652M12; HMS3713G21; HMS3885N03; Pharmakon1600-01501002; HY-B1240; Tox21_110461; BDBM50017705; CCG-39004; NSC757819; s4096; STL453109; ZINC19796080; AKOS015960779; Tox21_110461_1; AC-3537; CCG-101004; CS-4886; DB00450; NC00254; NSC-757819; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; 3-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; IDI1_000103; NCGC00016504-02; NCGC00016504-03; NCGC00016504-04; NCGC00016504-05; NCGC00016504-06; NCGC00016504-09; NCGC00016504-17; NCGC00094884-01; NCGC00094884-02; H920; SBI-0051628.P002; Droperidol 1.0 mg/ml in Dimethyl Sulfoxide; FT-0655846; SW220019-1; D00308; F17346; AB00052191_04; AB00052191_05; WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF; 548D732; A830387; L001006; Q174259; SR-05000001546-1; SR-05000001546-2; SR-05000001546-3; W-105600; BRD-K97158071-001-05-8; BRD-K97158071-001-08-2; Droperidol, British Pharmacopoeia (BP) Reference Standard; Droperidol, European Pharmacopoeia (EP) Reference Standard; Droperidol, United States Pharmacopeia (USP) Reference Standard; 2H-Benzimidazol-2-one,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-; 1-[1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-[1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone; 1-1-[3-(p-Fluorobenzoyl)propyl]-1,3,6-tetrahydro-4-pyridyl-2-benzimidazolinone; gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone; 1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one; 1-[1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,6-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one; 1-{1-[4-(4-Chloro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Droperidol); 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one; 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one; USS"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4717	DB00450	DR00771	.	379.4	C22H22FN3O2	52.6	615	3.5	28	1	4	6	"1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)"	C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F	RMEDXOLNCUSCGS-UHFFFAOYSA-N
DG00735	Ethoxzolamide	3295	"Ethoxzolamide; Ethoxyzolamide; 452-35-7; Ethoxazolamide; 6-Ethoxy-2-benzothiazolesulfonamide; Ethamide; Etoxzolamide; Cardrase; 6-Ethoxy-1,3-benzothiazole-2-sulfonamide; Glaucotensil; Diuretic C; Redupresin; 2-Benzothiazolesulfonamide, 6-ethoxy-; 6-Ethoxybenzo[d]thiazole-2-sulfonamide; 6-Ethoxybenzothiazole-2-sulfonamide; 6-Ethoxyzolamide; 6-Ethoxybenzothiazole-2-sulphonamide; U-4191; NSC 10679; UNII-Z52H4811WX; CHEMBL18; Redupresin;L-643786;PNU-4191; MLS000028637; 6-Ethoxy-benzothiazole-2-sulfonic acid amide; Mingoral; CHEBI:101096; Z52H4811WX; 6-Ethoxy-2-benzothiazole8ulfonamide; MFCD00057089; NSC-10679; NCGC00018249-04; SMR000059148; DSSTox_CID_3021; DSSTox_RID_76834; DSSTox_GSID_23021; C9H10N2O3S2; Cardrase (TN); CAS-452-35-7; EZL; Ethoxzolamide [USP]; HSDB 3268; EINECS 207-199-5; BRN 0212240; Athamid; AI3-50805; 3caj; 3dcw; 3mdz; Ethoxzolamide, EZM; 3dd0; Opera_ID_1207; 6-(ethyloxy)-1,3-benzothiazole-2-sulfonamide; SCHEMBL63941; 4-27-00-04404 (Beilstein Handbook Reference); MLS001077357; GTPL6814; DTXSID1023021; BDBM10882; ZINC56721; HMS2093J03; HMS2094M03; HMS2233N09; HMS3373K15; HMS3715F20; HMS3746M15; Pharmakon1600-01505426; BCP24088; HY-B1480; NSC10679; PNU-4191; Tox21_110848; 2179AH; 6-ethoxy-2-benzothiazole sulfonamide; NSC759129; WLN: T56 BN DSJ CSZW GO2; AKOS015915628; Tox21_110848_1; CCG-213432; CS-7836; DB00311; MCULE-3766215049; NSC-759129; VS-0126; Benzothiazole, 6-ethoxy-2-sulfonamide-; NCGC00018249-01; NCGC00018249-02; NCGC00018249-03; NCGC00018249-05; NCGC00022533-04; NCGC00186657-01; 6-Ethoxy-2-benzothiazolesulfonamide, 97%; SBI-0206851.P001; 6-Ethoxy-1,3-benzothiazole-2-sulfonamide #; FT-0707866; SW220095-1; D02441; AB00383049_12; AB00383049_13; Q265352; SR-01000000236; L-643786; SR-01000000236-2; BRD-K18131774-001-10-1; Ethoxzolamide, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:101096	DB00311	.	DR2284	258.3	C9H10N2O3S2	119	341	2	16	1	6	3	"1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)"	CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N	OUZWUKMCLIBBOG-UHFFFAOYSA-N
DG00739	Fleroxacin	3357	"Fleroxacin; 79660-72-3; Megalone; Fleroxicin; Megalocin; Quinodis; Fleroxacino; Fleroxacinum; 6,8-Difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; Fleroxacine; AM-833; Ro 23-6240; FLRX; Fleroxacin (Quinodis); Ro 23-6240/000; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; UNII-N804LDH51K; Ro-236240; CHEBI:31810; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; N804LDH51K; NCGC00167558-01; Fleroxacine [French]; Fleroxacinum [Latin]; Ro-236240000; Fleroxacino [Spanish]; RO 23-6240;AM-833; AM 833; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; DSSTox_CID_26714; DSSTox_RID_81846; DSSTox_GSID_46714; 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-; Megalosin; Megalocin (TN); Megalone (TN); SMR000466302; CAS-79660-72-3; CCRIS 3972; SR-01000759379; BRN 4300996; Fleroxacin (JAN/USAN/INN); Fleroxacin,(S); Fleroxacin [USAN:INN:BAN:JAN]; MFCD00864880; F0646; Ro-23-6240/000; CHEMBL6273; SCHEMBL48145; 3-Quinolinecarboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-; MLS000759401; MLS006010715; DTXSID1046714; HMS2090I08; HMS3715B11; BCP28939; HY-B0414; RKL10075; ZINC3786299; Tox21_112553; BDBM50247892; s2469; ZINC03786299; AKOS015907011; Tox21_112553_1; CCG-221125; DB04576; KS-5124; NCGC00167558-02; AM-833;AM833;AM 833; FT-0630874; D01716; Fleroxacin, VETRANAL(TM), analytical standard; J10168; AB00640001-02; AB00640001-03; AB00640001_04; 660F723; A839732; Q3746573; SR-01000759379-2; SR-01000759379-3; 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid-; 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid;Fleroxacin; 79660-53-0"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31810	DB04576	.	.	369.34	C17H18F3N3O3	64.099	595	-0.1	26	1	9	4	"1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)"	CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F	XBJBPGROQZJDOJ-UHFFFAOYSA-N
DG00746	Hydroxyurea	3657	"Hydroxyurea; 127-07-1; Hydroxycarbamide; N-Hydroxyurea; 1-HYDROXYUREA; Hydrea; Oxyurea; Carbamoyl oxime; Biosupressin; Hydroxycarbamine; Urea, hydroxy-; Onco-carbide; Carbamohydroxamic acid; Carbamohydroximic acid; Carbamyl hydroxamate; Hydura; Litalir; Hydurea; N-Carbamoylhydroxylamine; Droxia; Hidrix; Hydroxicarbamidum; Siklos; Hydroxylurea; Hydreia; Litaler; Idrossicarbamide [DCIT]; Hidroxicarbamida; Hydroxyharnstoff; Hydroxycarbamidum; Carbamohydroxyamic acid; N-Hydroxymocovina; Hydroxylamine, N-carbamoyl-; SQ 1089; Hydroxyharnstoff [German]; N-Hydroxymocovina [Czech]; hydroxy urea; NCI-C04831; Hydroxylamine, N-(aminocarbonyl)-; SK 22591; Hydroxycarbamidum [INN-Latin]; Hidroxicarbamida [INN-Spanish]; urea, N-hydroxy-; HU; CCRIS 958; HYDROXY-UREA; NSC 32065; UNII-X6Q56QN5QC; NSC32065; AI3-51139; Hydroxyurea (Cytodrox); MFCD00007943; CHEMBL467; SQ-1089; X6Q56QN5QC; CHEBI:44423; NSC-32065; 8029-68-3; NCGC00015520-03; Hydroxycarbamid; Oncocarbide; Idrossicarbamide; DSSTox_CID_5438; DSSTox_RID_77787; DSSTox_GSID_25438; NHY; Hydroxyurea (D4); N-HYDROXY UREA; Mylocel; carbamide oxide; CAS-127-07-1; SMR000059149; Hydroxyurea (USP); Droxia (TM); Droxia (TN); Hydrea (TM); hydroxyaminomethanamide; HSDB 6887; SR-01000075919; DRG-0253; EINECS 204-821-7; HYDREA (TN); Hydroxyurea [USAN:USP]; BRN 1741548; Hydroxycarbamide (JAN/INN); hydroxyl urea; Xromi; S-phase/G-1 interface inhibitor; aminohydroxamic acid; carbamic acid oxime; Carbomohydroxamic acid; Spectrum_000909; Hydroxycarbamide [INN]; WLN: ZVMQ; Hydrea (Bristol Meyers); Spectrum2_000064; Spectrum3_000462; Spectrum4_000012; Spectrum5_000836; Lopac-H-8627; MolMap_000029; H 8627; NCIMech_000139; Hydroxyurea, 98%, powder; Lopac0_000596; BSPBio_002164; KBioGR_000383; KBioSS_001389; 4-03-00-00170 (Beilstein Handbook Reference); hydroxycarbamide (hydroxyurea); MLS001332381; MLS001332382; MLS002153389; DivK1c_000556; N-(Aminocarbonyl)hydroxylamine; SPECTRUM1500344; SPBio_000247; GTPL6822; DTXSID6025438; tetratogen: inhibits ribonucleoside diphosphate reductase; HMS501L18; KBio1_000556; KBio2_001389; KBio2_003957; KBio2_006525; KBio3_001384; NINDS_000556; Bio1_000451; Bio1_000940; Bio1_001429; HMS1920F09; HMS2091L17; HMS2234I03; HMS3261H14; HMS3373G18; HMS3655K20; HMS3869C03; NCI C04831; Pharmakon1600-01500344; ACT02611; ALBB-028465; AMY40858; HY-B0313; STR02555; ZINC8034120; Tox21_110168; Tox21_300319; Tox21_500596; BBL009928; BDBM50017811; CCG-35236; NSC757072; s1896; STL145898; AKOS005716276; AKOS006222547; Tox21_110168_1; ZINC100019199; DB01005; LP00596; MCULE-9465284053; NSC-757072; SDCCGSBI-0050578.P006; IDI1_000556; NCGC00015520-01; NCGC00015520-02; NCGC00015520-04; NCGC00015520-05; NCGC00015520-06; NCGC00015520-07; NCGC00015520-08; NCGC00015520-09; NCGC00015520-10; NCGC00015520-11; NCGC00015520-20; NCGC00093974-01; NCGC00093974-02; NCGC00093974-03; NCGC00093974-04; NCGC00093974-05; NCGC00254007-01; NCGC00261281-01; AC-22674; NCI60_002773; SBI-0050578.P004; DB-041849; EU-0100596; FT-0627160; FT-0627175; FT-0670210; H0310; SW218071-2; C07044; D00341; Hydroxyurea, Vetec(TM) reagent grade, >=98%; AB00052018-09; AB00052018-10; AB00052018_11; AB00052018_12; 127H071; A805636; Q212272; J-504798; SR-01000075919-1; SR-01000075919-3; SR-01000075919-8; E0723DBA-5AF3-49D1-B5F6-59420AB87AC9; F8880-0905; Z1522566612; Hydroxycarbamide, European Pharmacopoeia (EP) Reference Standard; Hydroxyurea, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:44423	DB01005	DR01177	.	76.055	CH4N2O2	75.4	42.9	-1.8	5	3	2	0	"1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)"	C(=O)(N)NO	VSNHCAURESNICA-UHFFFAOYSA-N
DG00750	Lidocaine	3676	"Lidocaine; 137-58-6; Lignocaine; Xylocaine; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide; Lidoderm; Anestacon; Esracaine; Duncaine; Alphacaine; Cappicaine; Gravocain; Isicaina; L-Caine; Leostesin; Maricaine; Xylestesin; Xylocain; Xylocitin; Solcain; Isicaine; Rucaina; Xilina; Xycaine; Xylotox; Cito optadren; Lida-Mantle; Dalcaine; 2-(Diethylamino)-2',6'-acetoxylidide; Xyloneural (free base); Cuivasil; Jetocaine; Lidocainum; Remicaine; Xilocaina; 2-Diethylamino-N-(2,6-dimethylphenyl)acetamide; Acetamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)-; Diethylaminoaceto-2,6-xylidide; ELA-Max; 2',6'-Acetoxylidide, 2-(diethylamino)-; alpha-Diethylamino-2,6-dimethylacetanilide; Lidocaton; alfa-Dietilamino-2,6-dimetilacetanilide; CHEBI:6456; UNII-98PI200987; Xylocaine (TN); CHEMBL79; MFCD00026733; LIDOPEN; N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; MLS000069724; Dentipatch; Lignocainum; Xllina; NSC-40030; N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide; Lidocaine (VAN); .alpha.-Diethylaminoaceto-2,6-xylidide; NCGC00015611-10; Xilocaina [Italian]; Dilocaine; Lidocaina; SMR000058189; .alpha.-(Diethylamino)-2,6-acetoxylidide; Lidocaine Base; .alpha.-Diethylamino-2,6-dimethylacetanilide; .omega.-Diethylamino-2,6-dimethylacetanilide; 98PI200987; Lidocainum [INN-Latin]; DSSTox_CID_25166; DSSTox_RID_80716; DSSTox_GSID_45166; Lidocaina [INN-Spanish]; N-(2,6-Dimethylphenyl)-N2,N2-diethylglycinamide; 2-(Diethylamino)-N-(2,6-Dimethylphenyl)ethanamide; EMBOLEX; Versatis; Ztilido; ZTlido; 2-(Diethylamino)-N-(2,6-dimethylphenyl)-acetamide; Dentipatch (TN); CAS-137-58-6; LQZ; HSDB 3350; EINECS 205-302-8; NSC 40030; alfa-Dietilamino-2,6-dimetilacetanilide [Italian]; BRN 2215784; Qualigens; Xyline; Lignocaine base; LidocaineHClH2O; Lidocaine [USP:INN:BAN:JAN]; Lidocaine, powder; N1-(2,6-dimethylphenyl)-N2,N2-diethylglycinamide; Zingo (Salt/Mix); CDS1_000283; Lidocaine (Alphacaine); Spectrum_001118; Lidothesin (Salt/Mix); Xyloneural (Salt/Mix); Opera_ID_385; Maybridge1_002571; Prestwick0_000050; Prestwick1_000050; Prestwick2_000050; Prestwick3_000050; Spectrum2_001343; Spectrum3_001392; Spectrum4_000070; Spectrum5_001549; Lopac-L-5647; Lidaform HC (Salt/Mix); Epitope ID:116205; Lidamantle HC (Salt/Mix); 2', 2-(diethylamino)-; Neosporin Plus (Salt/Mix); Lopac0_000669; SCHEMBL15689; BSPBio_000179; BSPBio_001359; BSPBio_003004; KBioGR_000079; KBioGR_000599; KBioSS_000079; KBioSS_001598; 2-Diethylamino-N-(2,6-dimethyl-phenyl)-acetamide; 4-12-00-02538 (Beilstein Handbook Reference); MLS000758263; MLS001074177; MLS001423964; BIDD:GT0342; Diethylaminoacet-2,6-xylidide; DivK1c_000174; DivK1c_001323; Lidocaine, analytical standard; SPBio_001525; SPBio_002100; Lidocaine (JP17/USP/INN); ALGRX 3268; ALGRX-3268; BPBio1_000197; GTPL2623; DTXSID1045166; SCHEMBL17967359; HMS548M19; KBio1_000174; KBio2_000079; KBio2_001598; KBio2_002647; KBio2_004166; KBio2_005215; KBio2_006734; KBio3_000157; KBio3_000158; KBio3_002224; ZINC20237; Lidocaine 1.0 mg/ml in Methanol; NINDS_000174; Bio1_000379; Bio1_000868; Bio1_001357; Bio2_000079; Bio2_000559; HMS1791D21; HMS1989D21; HMS2051C21; HMS2089E15; HMS2235O14; HMS3371J04; HMS3393C21; HMS3428O07; HMS3651G09; AMY25560; BCP09081; HY-B0185; NSC40030; Tox21_110183; BDBM50017662; NSC789222; s1357; STK552033; AKOS001026768; Tox21_110183_1; CCG-100824; CS-2070; DB00281; MCULE-9294700940; NC00074; NSC-789222; SB19118; SDCCGSBI-0050648.P005; WLN: 2N2 & 1VMR B1 F1; .alpha.-Diethylamino-2,6-acetoxylidide; CAS-73-78-9; IDI1_000174; IDI1_033829; NCGC00015611-01; NCGC00015611-02; NCGC00015611-03; NCGC00015611-04; NCGC00015611-05; NCGC00015611-06; NCGC00015611-07; NCGC00015611-08; NCGC00015611-09; NCGC00015611-11; NCGC00015611-12; NCGC00015611-13; NCGC00015611-14; NCGC00015611-15; NCGC00015611-16; NCGC00015611-18; NCGC00015611-31; NCGC00022176-05; NCGC00022176-06; NCGC00022176-07; NCGC00022176-08; NCGC00022176-09; AC-10282; AS-13718; M620; SY052029; 2-(Diethylamino)-2'',6''-acetoxylidide; SBI-0050648.P004; AB00053581; L0156; SW196598-4; A18187; C07073; D00358; J10173; M06299; AB00053581-27; AB00053581-28; AB00053581_29; AB00053581_30; A833036; Q216935; (2,6-dimethylphenyl)carbamoylmethyl-diethyl-azanium; N1-(2,6-dimethylphenyl)-2-(diethylamino)acetamide; W-108233; 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide #; BRD-K52662033-001-02-6; BRD-K52662033-003-05-5; BRD-K52662033-003-14-7; Z55135799; Lidocaine, British Pharmacopoeia (BP) Reference Standard; Lidocaine, European Pharmacopoeia (EP) Reference Standard; N~1~-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide; Lidocaine, United States Pharmacopeia (USP) Reference Standard; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrate hydrochloride; Lidocaine, Pharmaceutical Secondary Standard; Certified Reference Material; Lidocaine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 91484-71-8"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6456	DB00281	DR00849	DR0953	234.34	C14H22N2O	32.299	228	2.3	17	1	2	5	"1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)"	CCN(CC)CC(=O)NC1=C(C=CC=C1C)C	NNJVILVZKWQKPM-UHFFFAOYSA-N
DG00754	Iopromide	3736	"Iopromide; 73334-07-3; Ultravist; Iopromidum; Iopromida; N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N1-methylisophthalamide; ZK 35760; UNII-712BAC33MZ; 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide; magnesium methanide propan-1-ide(1:1:1); 712BAC33MZ; Ultravist 300; CHEBI:63578; N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(2-methoxyacetamido)-N-methylisophthalamide; n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-n-methylisophthalamide; Ultravist 370; iopromid; DSSTox_CID_3163; DSSTox_RID_76898; DSSTox_GSID_23163; Proscope; SHL 414C; Iopromidum [INN-Latin]; Iopromida [INN-Spanish]; Ultravist 150; Ultravist 240; EINECS 277-385-9; Ultravist (pharmacy bulk); BRN 7085608; Iopromide [USAN:USP:INN:BAN]; Ultravist (TN); NCGC00016923-01; Proscope (TN); CAS-73334-07-3; BAY86-4877; BAY 86-4877; ZK-35760; Prestwick0_000872; Prestwick1_000872; Prestwick2_000872; Prestwick3_000872; CHEMBL1725; Iopromide (JAN/USP/INN); SCHEMBL24546; BSPBio_000943; MLS002154045; Iopromide, analytical standard; SPBio_002864; BPBio1_001039; DTXSID0023163; C18H24I3N3O8; HMS1570P05; HMS2097P05; HMS2233O23; HMS3370M05; HMS3714P05; BCP08449; HY-B1362; Tox21_110684; Ultravist 300 In Plastic Container; AC-535; MFCD00867924; s3207; AKOS025402129; Tox21_110684_1; CCG-220872; DB09156; Iopromid 100 microg/mL in Acetonitrile; NCGC00179367-01; NCGC00179367-03; 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-((methoxyacetyl)amino)-N-methyl-; 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((methoxyacetyl)amino)-N-methyl-2,4,6-triiodo-; BS-17441; I661; SMR001233368; AB00513942; CS-0013103; FT-0627283; D01893; 334I073; SR-01000841262; Q4202805; SR-01000841262-2; Iopromide, European Pharmacopoeia (EP) Reference Standard; Iopromide, United States Pharmacopeia (USP) Reference Standard; Iopromide for system suitability 1, European Pharmacopoeia (EP) Reference Standard; Iopromide for system suitability 2, European Pharmacopoeia (EP) Reference Standard; N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N-methyl-5-{[(methyloxy)acetyl]amino}benzene-1,3-dicarboxamide; N-(2,3-dihydroxypropyl)-3-[(2,3-dihydroxypropyl)(methyl)carbamoyl]-5-[(1-hydroxy-2-methoxyethylidene)amino]-2,4,6-triiodobenzene-1-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63578	DB09156	.	.	791.1	C18H24I3N3O8	169	647	-2.1	32	6	8	11	"1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)"	CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I	DGAIEPBNLOQYER-UHFFFAOYSA-N
DG00759	Isoproterenol	3779	"Isoproterenol; Isoprenaline; Novodrin; Isoprenalin; Isopropydrin; Norisodrine; 7683-59-2; Aludrine; Asiprenol; Assiprenol; Bellasthman; Respifral; Asmalar; Isopropylarterenol; Neodrenal; Proternol; Aludrin; Isadrine; neo-Epinine; N-Isopropylnoradrenaline; Bronkephrine; Isonorene; Isonorin; Isopropyladrenaline; Isorenin; Lomupren; Saventrine; N-Isopropylnorepinephrine; Isopropylnorepinephrine; Isopropylnoradrenaline; Isopropyl noradrenaline; Vapo-N-iso; Isupren; Racemic isoprenaline; dl-Isadrine; Racemic isoproterenol; (+-)-Isoproterenol; Epinephrine isopropyl homolog; Isoprenalinum; Aleudrine; (+-)-Isoprenaline; Isoprenalina; Aleudrin; Dihydroxyphenylethanolisopropylamine; DL-ISOPROTERENOL; WIN 5162; 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; ICI 46399; 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol; alpha-(Isopropylaminomethyl)protocatechuyl alcohol; N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine; Isoprenaline (INN); 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol; 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-; CHEMBL434; 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol; 149-53-1; 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol; Isoproterenolum; CHEBI:64317; 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-; Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol; 7683-59-2 (free); NSC-9975; NSC33791; Isoprenaline [INN]; NSC-33791; 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol; NCGC00015558-06; 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol; Isoproterenol [JAN]; Protocatechuyl alcohol,-; DSSTox_CID_3175; DL(+-)-Isoproterenol; L-Isoproterenol; Levisoprenaline; Proternol L; DSSTox_RID_76904; DSSTox_GSID_23175; Isoprenalinum [INN-Latin]; .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol; Isoprenalina [INN-Spanish]; Isoproterenol Chloride; WLN: QR BQ DYQ1MY1&1; 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol; 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol; 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol; CAS-7683-59-2; ISOPROP; CCRIS 3081; NSC 9975; 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-; EINECS 231-687-7; NSC 33791; Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol; 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; BRN 2213857; Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]-; Isoproterenol-l; Isoproterenol;; Isoproterenol (-); Isoproterenol,(+); Protocatechuyl alcohol, alpha-(isopropylaminomethyl)-; ISOPROTERONOL; Isoproterenol dl-form; Isuprel (Salt/Mix); Izadrin (Salt/Mix); Euspiran (Salt/Mix); (+/-)-isoprenaline; (+/-)-isoproterenol; Spectrum_000949; 114-45-4; Prestwick0_001097; Prestwick1_001097; Prestwick2_001097; Spectrum2_001061; Spectrum3_000474; Spectrum4_000024; Spectrum5_000880; (.+/-.)-Isoprenaline; (.+/-.)-Isoproterenol; SCHEMBL4165; DL(.+/-.)-Isoproterenol; Lopac0_000711; Oprea1_009434; BSPBio_002208; GTPL536; KBioGR_000427; KBioSS_001429; 3-13-00-02387 (Beilstein Handbook Reference); DivK1c_000894; SPBio_001042; SPBio_003057; SGCUT00015; 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol; DTXSID4023175; BDBM25392; KBio1_000894; KBio2_001429; KBio2_003997; KBio2_006565; KBio3_001428; NSC9975; NINDS_000894; 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol; HMS2089A12; HMS3742A11; BCP09043; Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-; to_000062; (A+/-)-Isoproterenol hydrochloride; Tox21_110172; PDSP1_001425; PDSP2_001409; STL558077; AKOS015913894; Tox21_110172_1; CCG-204727; CCG-204796; DB01064; MCULE-6061231962; SDCCGSBI-0050620.P003; SDCCGSBI-0050689.P005; IDI1_000894; NCGC00015558-04; NCGC00015558-05; NCGC00015558-07; NCGC00015558-08; NCGC00015558-09; NCGC00015558-10; NCGC00015558-11; NCGC00015558-12; NCGC00015558-14; NCGC00015558-25; NCGC00016665-02; NCGC00025274-03; NCGC00025274-04; NCGC00162220-01; A-21; SBI-0050689.P004; FT-0724367; C07056; D08090; AB00053487-09; AB00053487-10; AB00053487_11; AB00053487_12; 683I592; AG-219/03618046; L000936; Q415550; .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol; Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),-; 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol; 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol #; N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine; 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride; 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2; Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)-; 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI); Iso"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:64317	.	.	DR0887	211.26	C11H17NO3	72.7	187	-0.6	15	4	4	4	"1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3"	CC(C)NCC(C1=CC(=C(C=C1)O)O)O	JWZZKOKVBUJMES-UHFFFAOYSA-N
DG00764	Lofepramine	3947	"LOFEPRAMINE; Lopramine; 23047-25-8; Amplit; Leo 640; UNII-OCA4JT7PAW; Gamanil; 4'-Chlor-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)acetophenon; OCA4JT7PAW; CHEBI:47782; 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino}ethanone; Ethanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-; 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone; Acetophenone, 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin5-yl)propyl)methylamino)-; Lofepramina; Lofepraminum; Lomont; Lofepramine [INN:BAN]; Lofepraminum [INN-Latin]; Lofepramina [INN-Spanish]; 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin5-yl)propyl)methylamino)acetophenone; 1-(4-Chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)(methyl)amino)ethan-1-one; 1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone; Ethanone, 1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]-; HSDB 7184; NCGC00166397-02; EINECS 245-396-8; DB 2182; Lofepramine (INN); Lofepramine- Bio-X; Gamanil (Salt/Mix); Gamonil (Salt/Mix); Timelit (Salt/Mix); Tymelyt (Salt/Mix); SCHEMBL35028; CHEMBL87708; GTPL7551; DTXSID2023220; BDBM82437; HMS3269O19; HMS3413F21; HMS3677F21; HMS3715L16; NSC_3947; ZINC1542929; Lofepramin hydrochloride (Salt/Mix); AKOS024457158; CCG-221257; DB13411; 4'-Chloro-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]acetophenone; NCGC00166397-01; NCGC00166397-03; BL164630; HY-12390; US8629135, SW-06; CAS_23047-25-8; B7097; CS-0011244; FT-0670832; D08140; AB00698521-05; A854424; L000944; Q368941; J-014957; 1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz(Z)[b,f]azepin-5-yl)propyl]methylamino]ethanone; 1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](methyl)amino]ethanone #; N-Methyl-N(4-chlorobenzoylmethyl)-3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propylamine hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:47782	.	.	.	419	C26H27ClN2O	23.6	523	6.8	30	0	3	7	"1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3"	CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl	SAPNXPWPAUFAJU-UHFFFAOYSA-N
DG00768	Mecamylamine	4032	"Mecamylamine; Versamine; Mecamine; Revertina; Mecamilamina; Mekamine; 2-Methylaminoisocamphane; 60-40-2; Mevasine; 3-Methylaminoisocamphane; N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine; N-Methyl-2-isocamphanamine; 2-Methylamino-2,3,3-trimethylnorbornane; N,2,3,3-Tetramethyl-2-norbornamine; N,2,3,3-Tetramethyl-2-norcamphanamine; 2-Norbornanamine, N,2,3,3-tetramethyl-; Bicyclo(2.2.1)heptan-2-amine, N,2,3,3-tetramethyl-; CHEBI:6706; CHEMBL267936; Mecamylaminum; Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-; NCGC00015703-03; Mecamilamina [DCIT]; Mecamilamina [Italian]; DSSTox_CID_3240; DSSTox_RID_76937; DSSTox_GSID_23240; Mecamylamine [INN:BAN]; Mecamylaminum [INN-Latin]; Mecamylamine base; 3-Methylaminoisokamfan; 3-Methylaminoisokamfan [Czech]; CAS-60-40-2; EINECS 200-476-1; 3-beta-Methylamino-2,2,3-trimethylbicyclo(2.2.1)heptane; Inversine (Salt/Mix); Spectrum_000304; SpecPlus_000736; Prestwick0_001111; Prestwick1_001111; Prestwick2_001111; Prestwick3_001111; Spectrum3_000736; Spectrum4_001257; Spectrum5_001616; Lopac0_000841; SCHEMBL34252; BSPBio_001242; BSPBio_002292; KBioGR_001814; KBioSS_000784; DivK1c_006832; SPBio_003111; BPBio1_001367; GTPL3990; DTXSID0023240; KBio1_001776; KBio2_000784; KBio2_003352; KBio2_005920; KBio3_001512; HMS3604D12; 107538-05-6; ALBB-023410; Tox21_110198; BDBM50061565; AKOS003662515; Tox21_110198_1; CCG-204924; DB00657; SDCCGSBI-0050817.P005; NCGC00015703-02; NCGC00015703-04; NCGC00015703-06; NCGC00015703-12; NCGC00162272-01; NCGC00162272-02; SBI-0050817.P004; AB00053764; C07511; AB00053764_03; Q3332124; BRD-A20119038-001-01-5; BRD-A20119038-003-01-1; N,2,3,3-Tetramethylbicyclo[2.2.1]heptan-2-amine #; Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; (+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; (-)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; 3-.beta.-Methylamino-2,2,3-trimethylbicyclo(2.2.1)heptane; (+/-)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine; methyl(2,3,3-trimethylbicyclo[2.2.1]hept-2-yl)amine hydrochloride; Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amine(Mecamylamine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6706	DB00657	.	.	167.29	C11H21N	12	197	2.6	12	1	1	1	"1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3"	CC1(C2CCC(C2)C1(C)NC)C	IMYZQPCYWPFTAG-UHFFFAOYSA-N
DG00775	Midodrine	4195	"Midodrine; Midodrin; 42794-76-3; Midodrina; Midodrinum; Midodrinum [INN-Latin]; Midodrina [INN-Spanish]; ProAmatine; 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide; St 1085; Midodrine free base; ST-1085; 1-(2',5'-Dimethoxyphenyl)-2-glycinamidoethanol; DL-N1-(beta-Hydroxy-2,5-dimethoxyphenethyl)glycinamid; Acetamide, 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)-; CHEBI:6933; 42794-76-3 (free base); 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethyl)acetamide; 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)acetamide; Midodrine [INN:BAN]; 97476-58-9; Midodrine (INN); 133163-28-7; EINECS 255-945-3; 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethyl)acetamid; 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethylacetamide; (RS)-N'-(beta-Hydroxy-2,5-dimethoxy-phenethyl)glycinamid; HSDB 7854; Spectrum_001641; Prestwick0_000191; Prestwick1_000191; Prestwick2_000191; Prestwick3_000191; Spectrum2_001545; Spectrum3_001585; Spectrum4_000192; Spectrum5_000962; BSPBio_000141; BSPBio_003150; KBioGR_000763; KBioSS_002121; DivK1c_000955; SCHEMBL131436; SPBio_001390; SPBio_002062; BPBio1_000157; GTPL7240; CHEMBL1201212; DTXSID0023321; SCHEMBL20996761; KBio1_000955; KBio2_002121; KBio2_004689; KBio2_007257; KBio3_002650; NINDS_000955; HMS3886M20; N-{2-[2,5-bis(methyloxy)phenyl]-2-hydroxyethyl}glycinamide; 2-AMINO-N-[2-(2,5-DIMETHOXYPHENYL)-2-HYDROXY-ETHYL]ACETAMIDE; s5735; AKOS015967099; CS-4688; DB00211; MCULE-7047456030; ( inverted exclamation markA)-Midodrine; IDI1_000955; NCGC00178238-01; NCGC00178238-02; DA-05918; HY-12749; SBI-0051934.P002; AB00053715; FT-0740719; C07890; D08220; AB00053715_08; A913477; Q415051; BRD-A79981887-003-05-7; BRD-A79981887-003-09-9; rac-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]glycinamide; (+-)-2-amino-N-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide; (+/-)-2-amino-n-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide; 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]ethanimidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6933	DB00211	DR01164	DR1088	254.28	C12H18N2O4	93.8	263	-0.6	18	3	5	6	"1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)"	COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O	PTKSEFOSCHHMPD-UHFFFAOYSA-N
DG00782	Nicardipine	4474	"Nicardipine; 55985-32-5; Nicardipinum; Nicardipinum [INN-Latin]; Nicardipino [INN-Spanish]; Cardene; Perpidine; CHEBI:7550; YC-93 (free base); Cardene (TN); 2-(Benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate; 3-(2-(benzyl(methyl)amino)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Dagan; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(benzylmethylamino)ethyl methyl ester; 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015747-03; Nicardipino; DSSTox_CID_3363; Nicardipine [INN:BAN]; DSSTox_RID_76992; DSSTox_GSID_23363; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester; Nicardipine (INN); CAS-55985-32-5; EINECS 259-932-3; BRN 0504321; Flusemide; Nicardipine (stn); FlusemideNicardipine; 3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; (R,S)-nicardipine; Spectrum_001372; Prestwick0_000383; Prestwick1_000383; Prestwick2_000383; Prestwick3_000383; Spectrum2_001415; Spectrum3_001452; Spectrum4_000422; Spectrum5_001320; CHEMBL1484; CBiol_001802; Lopac0_000809; Oprea1_436998; SCHEMBL34277; BSPBio_000565; BSPBio_001389; BSPBio_002943; KBioGR_000109; KBioGR_000744; KBioSS_000109; KBioSS_001852; BIDD:GT0621; DivK1c_000540; SPBio_001490; SPBio_002486; BPBio1_000623; GTPL2559; CHEMBL3302409; DTXSID6023363; KBio1_000540; KBio2_000109; KBio2_001852; KBio2_002677; KBio2_004420; KBio2_005245; KBio2_006988; KBio3_000217; KBio3_000218; KBio3_002443; CHEBI:180905; NINDS_000540; Bio1_000088; Bio1_000577; Bio1_001066; Bio2_000109; Bio2_000589; HMS1791F11; HMS1989F11; HMS2089C09; HMS3886G17; BCP21397; EX-A4680; Tox21_110211; BDBM50101815; s5255; AKOS001637090; Tox21_110211_1; CCG-204893; CS-3685; DB00622; SDCCGSBI-0050786.P004; IDI1_000540; IDI1_033859; NCGC00015747-02; NCGC00015747-04; NCGC00015747-05; NCGC00015747-06; NCGC00015747-07; NCGC00015747-09; NCGC00015747-11; NCGC00015747-18; NCGC00162262-01; NCGC00162262-02; NCGC00162262-03; NCGC00162262-04; AC-19947; AS-56335; BN166182; HY-12515; methyl 2-[methyl(phenylmethyl)amino]ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; SBI-0050786.P003; DB-052833; AB00514658; FT-0630688; V1328; C07264; D08270; AB00053604-03; AB00053604_04; AB00053604_05; 985N325; A924111; L000715; Q729213; BRD-A26711594-001-02-7; BRD-A26711594-003-05-6; BRD-A26711594-003-06-4; L-GLUTAMICACID,N-(1-DEOXY-D-FRUCTOS-1-YL)-; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-[methy(phenyl-methyl)amino]ethyl ester; 106664-28-2; 2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[ 2-(N-benzyl-N-methylamino)ethoxycarbonyl]-1,4-dihydropyridine; 2-(Benzylmethylamino) ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3-(2-[Benzyl(methyl)amino]ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #; 5-O-[2-[Benzyl(methyl)amino]ethyl] 3-O-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Methyl 2-(benzyl-methyl-amino)ethyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7550	DB00622	DR00280	.	479.5	C26H29N3O6	114	856	3.8	35	1	8	10	"1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3"	CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	ZBBHBTPTTSWHBA-UHFFFAOYSA-N
DG00784	Nimodipine	4497	"Nimodipine; 66085-59-4; Nimotop; Periplum; Admon; Nimodipino; Nimodipinum; Bay-E 9736; Nimodipinum [INN-Latin]; Nimodipino [INN-Spanish]; BAY e 9736; Bay-e-9736; 3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; CHEBI:7575; Nimodipine (Nimotop); 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester; C21H26N2O7; MLS000863294; 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Nymalize; MFCD00153848; NSC-758476; 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015714-09; SMR000058300; DSSTox_CID_3370; DSSTox_RID_76998; isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; DSSTox_GSID_23370; 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; nemotan; NimoGel; DRG-0139; Nimotop(TM); 1-methylethyl 2-(methyloxy)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-methoxyethyl ester 5-isopropyl ester; SR-01000075335; NIMOTOP (TN); EINECS 266-127-0; BRN 0459792; Nimodipine ap; NimoVent; Nimodipime,(S); Nimodipine [USAN:USP:INN:BAN]; Nymalize (TN); CAS-66085-59-4; EG-1961; Opera_ID_14; Spectrum_001880; SpecPlus_000716; Nimodipine (USP/INN); Prestwick0_000918; Prestwick1_000918; Prestwick2_000918; Prestwick3_000918; Spectrum2_001562; Spectrum3_000766; Spectrum4_000791; Spectrum5_001687; N-149; CBiol_001832; Lopac0_000891; SCHEMBL34041; BSPBio_000796; BSPBio_001397; BSPBio_002412; KBioGR_000117; KBioGR_001262; KBioSS_000117; KBioSS_002408; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-methoxyethyl 1-methylethyl ester; MLS000069381; MLS001076550; MLS001424155; MLS002154061; MLS002172461; MLS003899190; DivK1c_006812; SPECTRUM1503600; SPBio_001464; SPBio_002985; BPBio1_000876; GTPL2523; CHEMBL3197349; DTXSID5023370; SCHEMBL22882841; KBio1_001756; KBio2_000117; KBio2_002403; KBio2_002685; KBio2_004971; KBio2_005253; KBio2_007539; KBio3_000233; KBio3_000234; KBio3_001632; 3-isopropyl 5-(2-methoxyethyl); BRD8407; Bio1_000118; Bio1_000607; Bio1_001096; Bio2_000117; Bio2_000597; HMS1361F19; HMS1570H18; HMS1791F19; HMS1922E04; HMS1989F19; HMS2052M05; HMS2089H13; HMS2093G11; HMS2097H18; HMS2234B05; HMS3262D04; HMS3266O22; HMS3369G07; HMS3394M05; HMS3402F19; HMS3411I12; HMS3657I03; HMS3675I12; HMS3714H18; Pharmakon1600-01503600; 3,5-pyridinecarboxylic acid 2-methoxyethyl 1-methylethyl ester; ACT02628; ALBB-015317; AMY40399; BCP21152; BRD-8407; HY-B0265; 2,6-dimethyl-4-(3-nitrophenyl)-; Nimotop; ; ; Admon; ; ; BAY-e 9736; Tox21_110202; Tox21_500891; BBL028286; BDBM50101971; CA-211; CCG-39340; NSC758476; s1747; STK642934; AKOS005174934; AKOS015852459; Nimodipine - CAS 66085-59-4; Tox21_110202_1; AC-8484; CCG-101085; DB00393; KS-1304; LP00891; MCULE-4717687158; NC00335; NSC 758476; SDCCGSBI-0050866.P004; IDI1_033867; isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; NCGC00015714-04; NCGC00015714-05; NCGC00015714-06; NCGC00015714-07; NCGC00015714-08; NCGC00015714-10; NCGC00015714-11; NCGC00015714-12; NCGC00015714-13; NCGC00015714-16; NCGC00015714-28; NCGC00021456-02; NCGC00024675-02; NCGC00024675-03; NCGC00024675-04; NCGC00024675-05; NCGC00024675-06; NCGC00024675-07; NCGC00024675-08; NCGC00024675-09; NCGC00261576-01; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methoxyethyl 1-methylethyl ester; Nimodipine 100 microg/mL in Acetonitrile; O5-isopropyl O3-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; SMR002530605; SBI-0050866.P003; AB00513963; EU-0100891; FT-0602600; N0896; SW219238-1; C07267; D00438; F20554; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-; AB00053314-03; AB00053314-04; AB00053314_05; AB00053314_06; 085N594; Q421429; SR-01000075335-1; SR-01000075335-2; SR-01000075335-4; SR-01000075335-5; SR-01000075335-7; BRD-A58048407-001-06-3; BRD-A58048407-001-09-7; BAY E 9736 pound>> BAY-E-9736 pound>> BAYE97; Nimodipine, British Pharmacopoeia (BP) Reference Standard; Nimodipine, European Pharmacopoeia (EP) Reference Standard; Nimodipine, United States Pharmacopeia (USP) Reference Standard; Nimodipine, Pharmaceutical Secondary Standard; Certified Reference Material; Nimodipine for peak identification, EuropePharmacopoeia (EP) Reference Standard; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methyloxyethyl 1-methylethyl ester; 2-Methoxyethyl 1-Methylethyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; 3-Isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #; isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate; O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7575	DB00393	DR01211	DR1161	418.4	C21H26N2O7	120	736	3.1	30	1	8	9	"1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3"	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	UIAGMCDKSXEBJQ-UHFFFAOYSA-N
DG00791	Papaverine	4680	"Papaverine; Papaverin; 58-74-2; Papanerine; Robaxapap; Papanerin; Pavabid; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline; Papaverina; Papaverine [BAN]; 6,7-Dimethoxy-1-veratrylisoquinoline; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; Papaverine free base; NSC 136630; UNII-DAA13NKG2Q; Isoquinoline, 6,7-dimethoxy-1-veratryl-; Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; S-M-R; Papaverine (BAN); 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; DAA13NKG2Q; 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline; 58-74-2 (free base); CHEMBL19224; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene; CHEBI:28241; HSDB 3147; Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-; NSC-136630; Pavacot; Papaverina [Italian]; Ceraspan; Mesotina (TN); EV1; NSC35443; CAS-61-25-6; NCGC00015810-02; EINECS 200-397-2; BRN 0312930; Papaverinum; 2wey; RS 47; TNP00305; Spectrum_000071; Prestwick0_000583; Prestwick1_000583; Prestwick2_000583; Prestwick3_000583; Spectrum2_000978; Spectrum3_000537; Spectrum4_000467; Spectrum5_001188; Lopac-P-3510; Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl); Lopac0_000957; Oprea1_387689; Oprea1_810508; SCHEMBL34702; BSPBio_000426; BSPBio_002153; KBioGR_000914; KBioSS_000471; 5-21-06-00182 (Beilstein Handbook Reference); DivK1c_000321; 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline; SPBio_001015; SPBio_002645; BPBio1_000470; MEGxp0_001880; DTXSID4023418; ACon1_000238; ACon1_002094; BDBM14754; KBio1_000321; KBio2_000471; KBio2_003039; KBio2_005607; KBio3_001653; ZINC56555; 1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; NINDS_000321; HMS3561N11; HMS3746M21; ALBB-010475; 1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline; BBL012345; NSC136630; STK039035; Isoquinoline,7-dimethoxy-1-veratryl-; AKOS000277460; CCG-202821; CS-7800; DB01113; KS-5336; MCULE-9598291893; SDCCGMLS-0003037.P003; SDCCGSBI-0050931.P005; IDI1_000321; NCGC00015810-01; NCGC00015810-03; NCGC00015810-04; NCGC00015810-05; NCGC00015810-06; NCGC00015810-07; NCGC00015810-08; NCGC00015810-09; NCGC00015810-13; NCGC00015810-24; NCGC00015810-29; NCGC00024428-03; NCGC00024428-04; HY-18077; NCI60_003183; Papaverine 100 microg/mL in Acetonitrile; SBI-0050931.P004; DB-053252; AB00053515; Y1354; C06533; D07425; AB00053515_14; Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI); WLN: T66 CNJ B1R CO1 DO1& HO1 IO1; Q410374; 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride; 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline #; BRD-K15567136-001-01-1; BRD-K15567136-003-06-6; BRD-K15567136-003-18-1; Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-; SR-01000003098-10; 6,7-DIMETHOXY-1-(3.4-DIMETHOXYBENZYL)-ISOQUINOLINE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:28241	DB01113	DR00967	DR2299	339.4	C20H21NO4	49.8	407	3.9	25	0	5	6	"1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3"	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	XQYZDYMELSJDRZ-UHFFFAOYSA-N
DG00801	Promazine	4926	"Promazine; Protactyl; Romtiazin; Sinophenin; Prazine; Promazin; Prazin; Ampazine; Berophen; Promazina; Promwill; Verophen; Esparin; Liranol; 58-40-2; Neo-Hibernex; Tomil; Promazinum; Sparine; N-(3-Dimethylaminopropyl)phenothiazine; N-Dimethylamino-1-methylethyl thiodiphenylamine; RP 3276; WY 1094; 10-(3-(Dimethylamino)propyl)phenothiazine; 10H-Phenothiazine-10-propanamine, N,N-dimethyl-; A 145; UNII-O9M39HTM5W; NSC 31447; N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine; 10-[3-(Dimethylamino)propyl]phenothiazine; 3276 R. P.; O9M39HTM5W; CHEBI:8459; Propazinum; NSC-31447; 10H-Phenothiazine-10-propanamine, N,N-dimethyl- (9CI); Promazina [Italian]; Promazine [INN:BAN]; Phenothiazine, 10-(3-(dimethylamino)propyl)-; Phenothiazine, 10-[3-(dimethylamino)propyl]-; Promazinum [INN-Latin]; dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine; Promazina [INN-Spanish]; Promazine (INN); 10H-Phenothiazine-10-propanamine, N,N-dimethyl-, monohydrochloride; HSDB 3172; CAS-53-60-1; NCGC00015829-02; EINECS 200-382-0; Combelen [veterinary] (TN); SR-01000000228-4; Wy-1094; N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine; P2Z; N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride; Sparine (Salt/Mix); Spectrum_000866; Dimethyl(3-phenothiazin-10-ylpropyl)amine; Prestwick0_000693; Prestwick1_000693; Prestwick2_000693; Prestwick3_000693; Spectrum2_000839; Spectrum3_001018; Spectrum4_001148; Spectrum5_001116; Lopac-P-6656; CHEMBL564; cid_5887; Lopac0_000961; Oprea1_813117; US9504692, Promazine; BSPBio_000845; BSPBio_002775; Chlorpromazine EP Impurity C; KBioGR_001695; KBioSS_001346; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine; DivK1c_000419; SCHEMBL140489; SPBio_000797; SPBio_002766; BPBio1_000931; GTPL7281; DTXSID2023517; BDBM67545; KBio1_000419; KBio2_001346; KBio2_003914; KBio2_006482; KBio3_001995; ZINC10402; NINDS_000419; NSC31447; CCG-205041; DB00420; SDCCGSBI-0050934.P005; IDI1_000419; NCGC00015829-01; NCGC00015829-03; NCGC00015829-04; NCGC00015829-05; NCGC00015829-06; NCGC00015829-07; NCGC00015829-08; NCGC00015829-09; NCGC00015829-14; NCGC00015829-16; NCGC00024337-04; N-[3-(Dimethylamino)propyl]phenothiazine; WLN: T C666 BN ISJ B3N1&1; SBI-0050934.P004; WLN: T C666 BN ISJ BY2&N1&1; AB00053534; C07379; D08430; 10-(3-DIMETHYLAMINOPROPYL)-PHENOTHIAZINE; AB00053534_14; 058P402; A899796; L000671; Q419822; BRD-K06980535-003-15-0; dimethyl(3-phenothiazin-10-ylpropyl)amine;hydrochloride; N,N-Dimethyl-3-(10H-phenothiazin-10-yl)-1-propanamine #; N,N-dimethyl-3-(10H-phenothiazin-10-yl)-propan-1-amine; N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;hydrochloride; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine;hydrochloride; Promazine; Deschloro Chlorpromazine; N,N-Dimethyl-10H-phenothiazine-10-propanamine; 3-(10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8459	DB00420	DR00887	DR1351	284.4	C17H20N2S	31.8	285	4.5	20	0	3	4	"1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31	ZGUGWUXLJSTTMA-UHFFFAOYSA-N
DG00802	Mepyramine	4992	"Pyrilamine; Mepyramine; 91-84-9; Pyranisamine; Anthisan; Dorantamin; Mepiramine; Kriptin; Antalergan; Antallergan; Histapyran; Neoantergan; Anhistabs; Anhistol; Antamine; Copsamine; Coradon; Harvamine; Histacap; Histalon; Histasan; Maranhist; Mepyren; Nyscaps; Paraminyl; Pyramal; Stamine; Stangen; Statomin; Thylogen; Dipane; Isamin; Parmal; Neo-Bridal; Afko-Hist; Mepyramin; PYRA; Wait's green mountain antihistamine; Pyrilamide; RP 2786; NCI-C60651; UNII-HPE317O9TL; N',N'-Dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)ethylenediamine; 1,2-Ethanediamine, N-((4-methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-; NSC13136; CHEMBL511; HPE317O9TL; N1-(4-Methoxybenzyl)-N2,N2-dimethyl-N1-(pyridin-2-yl)ethane-1,2-diamine; CHEBI:6762; 2-((p-Methoxybenzyl)(2-(dimethylamino)ethyl)amino)pyridine; Pyridine, 2-((p-methoxybenzyl)(2-(dimethylamino)ethyl)amino)-; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridyl-1,2-ethanediamine; [3H]mepyramine; [3H]pyrilamine; 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-; NSC-13136; 102206-59-7; NCGC00015822-09; 2-((2-(Dimethylamino)ethyl)-(p-methoxybenzyl)amino)pyridine; Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-; DSSTox_CID_3542; N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine; N-((4-Methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine; DSSTox_RID_77071; DSSTox_GSID_23542; Mepyramin [German]; p-Methoxy-benzyl-.alpha.-pyridyl-dimethyl-aethylendiamin; 2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine; Mepiramina; Mepyraminum; Mepyramine [INN:BAN]; Pyridine, 2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]-; N-(4-methoxybenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-(.alpha.-pyridyl)ethylenediamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-(alpha-pyridyl)ethylenediamine; Mepyraminum [INN-Latin]; Mepiramina [INN-Spanish]; N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine; CAS-91-84-9; [11C]pyrilamine; [11C]-pyrilamine; [11C]-Mepyramine; CCRIS 4865; HSDB 5187; CAS-59-33-6; EINECS 202-102-2; NSC 13136; BRN 0269019; 2-[(p-Methoxybenzyl)[2-(dimethylamino)ethyl]amino]pyridine; Pyriliamine; Neobridal; 2-[[2-(Dimethylamino)ethyl]-(p-methoxybenzyl)amino]pyridine; Pyridine, 2-[(p-methoxybenzyl)[2-(dimethylamino)ethyl]amino]-; Pyrlex; 3H]pyrilamine; N,N-dimethyl-N'-{[4-(methyloxy)phenyl]methyl}-N'-pyridin-2-ylethane-1,2-diamine; N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; Mepyramine (INN); Histan (Salt/Mix); Pymafed (Salt/Mix); Antihist (Salt/Mix); Minihist (Salt/Mix); Spectrum_000904; Tocris-0660; Prefrin A (Salt/Mix); N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine; N-p-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine; p-Methoxybenzyl-alpha-pyridyl-dimethyl-aethylendiamin [German]; N-(para-Methoxybenzyl)-N',N'-dimethyl-N-2-pyridylethylenediamine; N-para-Methoxybenzyl-N',N'-dimethyl-N-alpha-pyridylethylenediamine; Prestwick0_000289; Prestwick1_000289; Prestwick2_000289; Prestwick3_000289; Spectrum2_001306; Spectrum3_000605; Spectrum4_000493; Spectrum5_001264; Lopac-P-5514; Lopac0_000890; Oprea1_317349; SCHEMBL19114; BSPBio_000198; BSPBio_002110; KBioGR_001005; KBioSS_001384; 5-22-08-00381 (Beilstein Handbook Reference); BIDD:GT0215; DivK1c_000175; p-Methoxybenzyl-alpha-pyridyl-dimethyl-aethylendiamin; SPBio_001371; SPBio_002417; BPBio1_000218; CCRIS 1330 (Salt/Mix); GTPL1227; GTPL3957; 2-[(2-Dimethylaminoethyl)(p-methoxybenzyl)amino]pyridine; DTXSID9023542; BDBM22567; KBio1_000175; KBio2_001384; KBio2_003952; KBio2_006520; KBio3_001610; NINDS_000175; HMS2089M19; Tox21_110230; Tox21_200978; ZINC19144216; N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine; Tox21_110230_1; CCG-204972; DB06691; R.d. 2786; SDCCGSBI-0050865.P005; IDI1_000175; WLN: T6NJ BN2N1&1&1R DO1; WLN: T6NJ DN1R DO1&2N1&1; N-(p-Methoxybenzyl)-N',2-ethanediamine; NCGC00015822-01; NCGC00015822-02; NCGC00015822-03; NCGC00015822-04; NCGC00015822-05; NCGC00015822-06; NCGC00015822-07; NCGC00015822-08; NCGC00015822-10; NCGC00015822-11; NCGC00015822-12; NCGC00015822-13; NCGC00015822-15; NCGC00015822-17; NCGC00015822-21; NCGC00023513-02; NCGC00023513-04; NCGC00023513-05; NCGC00023513-06; NCGC00258531-01; SBI-0050865.P004; AB00053539; FT-0628211; D08183; AB00053539-19; AB00053539_20; AB00053539_21; L000391; Q3800087; BRD-K97564742-050-04-6; BRD-K97564742-050-05-3; BRD-K97564742-103-01-9; 1, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-; Ethylenediamine, N',N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)-; Ethylenediamine,N'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)-; n,n-dimethyl-n'-(4-methoxybenzyl)-n'-(2-pyridyl)ethylenediamine; N,N-Dimethyl-N'-(p-methoxybenzyl)-N'-(2 -Pyridyl)ethylenediamine; N-(p-Methoxybenzyl)-N',N'-dimethyl-N-2-(pyridylethylene)diamine; N-p-Methoxybenzyl-N',N'-dimethyl-N-.alpha.-pyridylethylenediamine; Pyridine, 2-[[2-(dimethylamino)ethyl][p-methoxybenzyl)amino]]-; N,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(.alpha.-pyridyl)-ethylenediaminene; N-(4-methoxybenzyl)-N ,N -dimethyl-N-pyridin-2-ylethane-1,2-diamine; N-Dimethylamino-aethyl-N-p-methoxy-benzyl-.alpha.-amino-pyridin-maleat; 1,2-Ethanediamine, N-((4-methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl- (9CI); 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6762	DB06691	.	.	285.4	C17H23N3O	28.6	277	3.3	21	0	4	7	"1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3"	CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2	YECBIJXISLIIDS-UHFFFAOYSA-N
DG00805	Raloxifene	5035	"Raloxifene; 84449-90-1; Keoxifene; Raloxifenum; Evista; Raloxifenum [Latin]; Raloxifeno [Spanish]; Raloxifeno; Pharoxifene; LY 139481; LY-139481; UNII-YX9162EO3I; Optruma; CHEMBL81; (6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone; (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone; Keoxifene; LY 139481;; CHEBI:8772; YX9162EO3I; NSC-747974; Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-; LY139481; 2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]benzoyl}-1-benzothiophen-6-ol; Raloxifene [INN:BAN]; 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol; Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-; CCRIS 7129; HSDB 7460; NCGC00015889-05; CAS-82640-04-8; Raloxiphene; Eviden; Raxeto; Raloxifene D4; Raloxifene, 6; [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone; [2-(4-hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone; Raloxifene (INN); Eviden (TN); Raxeto (TN); Prestwick0_000862; Prestwick1_000862; Prestwick2_000862; Prestwick3_000862; Lopac-R-1402; DSSTox_CID_3550; SCHEMBL6144; DSSTox_RID_77076; DSSTox_GSID_23550; Lopac0_001051; BSPBio_000903; KBioGR_002361; KBioSS_002364; BIDD:ER0216; BIDD:GT0795; SPBio_002824; BPBio1_000995; GTPL2820; DTXSID3023550; BDBM19441; KBio2_002361; KBio2_004929; KBio2_007497; KBio3_002840; cid_11071264; cMAP_000032; HMS2089F06; HMS3742O11; ZINC538275; BCP09772; Tox21_202603; MFCD00866415; NSC747974; NSC761389; s5781; AKOS015896267; AC-8399; CCG-205128; DB00481; MCULE-4598311006; NSC 747974; NSC-761389; SDCCGSBI-0051021.P003; [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone; MRF-0000684; SMP2_000095; NCGC00015889-01; NCGC00015889-02; NCGC00015889-04; NCGC00015889-06; NCGC00015889-07; NCGC00015889-08; NCGC00015889-10; NCGC00015889-22; NCGC00092353-02; NCGC00092353-04; NCGC00260151-01; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; AS-35086; HY-13738; J22.982B; SBI-0051021.P002; CAS-84449-90-1; CS-0007764; FT-0674305; VU0155042-3; C07228; D08465; 449R901; A916152; Q425223; BRD-K63828191-003-11-5; 6-hydroxy-2-(4-hydoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydoxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-Hydroxy-2-(4-Hydroxyphenyl)-3-[4(2-Piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]-thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2piperidinoethoxy)-benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo [b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hydroxyphenyl)-3[-4-(2piperidinoethoxy)benzoyl]benzo[b]thiophene; 6-hydroxy-2-(4-hyroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene; [2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; Raloxifeno; [6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo-[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone; [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1piperidinyl)ethoxy]phenyl]methanone; 1020061-04-4; 6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-piperidinyl)ethoxy]phenyl methanone"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8772	DB00481	DR01347	DR1388	473.6	C28H27NO4S	98.2	655	6.1	34	2	6	7	"1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2"	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O	GZUITABIAKMVPG-UHFFFAOYSA-N
DG00806	Salsalate	5161	"Salsalate; 552-94-3; sasapyrine; Salicylsalicylic acid; Disalicylic acid; Disalcid; 2-Carboxyphenyl salicylate; Sasapyrinum; Saloxium; Salicyloylsalicylic acid; Diacesal; Diplosal; Sasapirin; Sasapyrin; Disalyl; Nobacid; Salical; Salina; Salysal; o-Salicylsalicylic acid; Sal Ester Sal; 2-(2-hydroxybenzoyl)oxybenzoic acid; Disalicylsaeure; Salicylic acid, salicylate; Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester; Salsalato; Salsalatum; Salflex; Salsalatum [INN-Latin]; NSC-49171; Salicylic acid, bimolecular ester; Salicyloxysalicylic acid; 2-((2-Hydroxybenzoyl)oxy)benzoic acid; O-Salicylcylsalicylsaeure; UNII-V9MO595C9I; 2-Hydroxybenzoic acid 2-carboxyphenyl ester; MFCD00020252; Salicylsalicylic acid;Disalicylic acid; CHEBI:9014; V9MO595C9I; Salicylic acid bimolecular ester; NSC49171; NCGC00096014-01; DSSTox_CID_3572; DSSTox_RID_77088; DSSTox_GSID_23572; Salsalato [INN-Spanish]; Mono-gesic; O-Salicyloylsalicylic Acid; Disalicylic acid;; Disalcid (TN); CAS-552-94-3; Sasapyrine (JAN); Salsalate (USP/INN); EINECS 209-027-4; NSC 49171; 2-Salicyloyloxybenzoic Acid; BRN 2590908; Disalgesic; Salicylsalicylic Acid (2-[(2-Hydroxybenzoyl)oxy]benzoic Acid); Disalicyclic acid; Salsalate [USAN:USP:INN:BAN]; Aspirin Impurity E; 2-(2-hydroxybenzoyloxy)benzoic acid; Spectrum_001998; 2-Salicylsalicylic acid; Carboxyphenyl Salicylate ; Spectrum2_000693; Spectrum3_000173; Spectrum4_000940; Spectrum5_000670; 2-{[(2-hydroxyphenyl)carbonyl]oxy}benzoic acid; 2-salicyloyloxy-benzoic acid; SCHEMBL15562; BSPBio_001665; KBioGR_001500; KBioSS_002572; SPECTRUM200331; SPBio_000845; Acetylsalicylic Acid Impurity E; CHEMBL154111; ZINC2062; DTXSID1023572; Salsalate, >=98% (HPLC); BDBM85244; KBio2_002563; KBio2_005131; KBio2_007699; KBio3_001165; HMS2091A05; HMS3652P07; HMS3885J09; Pharmakon1600-00200331; HY-B1245; NSC_5161; Benzoic acid, 2-carboxyphenyl ester; Tox21_111548; CCG-39652; NSC755823; s4188; Salicylic Acid 2-Carboxyphenyl Ester; AKOS003368478; Tox21_111548_1; 2-Carboxyphenyl salicylate, AldrichCPR; CS-4891; DB01399; MCULE-7200376848; NSC-755823; NCGC00096014-02; NCGC00096014-03; AC-18298; AS-12645; CAS_552-94-3; 2-[(2-Hydroxybenzoyl)oxy]benzoic acid #; SBI-0206687.P002; DB-020760; FT-0632376; SW219189-1; 2-[(2-hydroxyphenyl)carbonyloxy]benzoic acid; C75590; D00428; AB01563259_01; AB01563259_02; A830578; SR-05000001536; Q-100630; Q1320691; SR-05000001536-1; 2-[(2-Hydroxybenzoyl)oxy]benzoic Acid (Salicylsalicylic Acid); Salsalate, United States Pharmacopeia (USP) Reference Standard; Aspirin Impurity E; 2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester; Salicylic Acid Salicylate; 2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester; Salsalate (Aspirin Impurity E), Pharmaceutical Secondary Standard; Certified Reference Material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9014	DB01399	.	.	258.23	C14H10O5	83.8	341	3	19	2	5	4	"1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)"	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O	WVYADZUPLLSGPU-UHFFFAOYSA-N
DG00812	Sulfamethazine	5327	"Sulfamethazine; Sulfadimidine; 57-68-1; Sulfamezathine; Sulphamethazine; Sulfadimethyldiazine; Sulfadimerazine; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; Sulfadimethylpyrimidine; Sulphamezathine; Sulfadimezine; Sulfadimidin; Sulphadimidine; Sulphadimethylpyrimidine; Sulfadimesin; Sulfadimesine; Sulfadimezin; Sulfadimidinum; Sulfametazyny; Sulfamethiazine; Sulphamethasine; Sulphamidine; Sulphodimezine; Sulfadine; Cremomethazine; Sulfadimidina; Sulfametazina; Sulfodimezine; Azolmetazin; Dimezathine; Intradine; Kelametazine; Pirmazin; Spanbolet; Sulfodimesin; Superseptil; Superseptyl; Vertolan; Diazil; Mermeth; Neasina; Neazina; Sulfa-Isodimerazine; Dimidin-R; Hava-Span; Calfspan Tablets; Sa III; 4,6-Dimethyl-2-sulfanilamidopyrimidine; 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 2-Sulfanilamido-4,6-dimethylpyrimidine; SulfaSURE SR Bolus; N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; 4,6-Dimethylsulfadiazine; Sulfamidine; Diazil (the sulfanilamide); Primazin; 2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; Benzenesulfonamide, 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)-; 4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide; A-502; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin; N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; NCI-C56600; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; Sulmet; Sulfadimidine;Sulfadimerazine; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin; Sulfamethazine (USP); Sulfamethazine [USP]; UNII-48U51W007F; 2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine; CHEBI:102265; Sulfadimezinum; MFCD00006066; Sulfanilamide, N(sup1)-(4,6-dimethyl-2-pyrimidinyl)-; MLS000069711; 4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide; Solfadimidina; n(sup1)-(2,6-Dimethylpyrimid-4-yl)sulfanilamide; N(Sup1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; NSC67457; Sulfadimidine-d4; Sulfanilamide, N1-(4,6-dimethyl-2-pyrimidinyl)-; Sulka S Boluses; N(Sup1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; NSC-67457; NSC683529; 48U51W007F; NSC-683529; NCGC00018243-07; SMR000017409; Solfadimidina [DCIT]; Sulfametazyny [Polish]; DSSTox_CID_1290; DSSTox_RID_76062; DSSTox_GSID_21290; SMZ; Sulfadimidinum [INN-Latin]; Sulfadimidina [INN-Spanish]; Sulfametazina [Italian]; Sulfadimidine [INN:BAN]; CAS-57-68-1; BN 2409; CCRIS 3701; Sulfamezathine (TN); Sulfadimidine (INN); HSDB 4157; EINECS 200-346-4; NSC 67457; BRN 0261304; N(sup 1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; sulfamethazone; Diazilsulfadine; N(sup 1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; Calfspan; Panazin; AI3-26817; Sulka k boluses; S-Dimidine; Dimidim-R; 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide; (p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin [German]; 6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin [German]; Sulfadimidine,(S); Sulfanilamide, N(1)-(4,6-dimethyl-2-pyrimidinyl)-; Sulfadimidine-13C6; 4-Amino-N-(4,6-dimethyl-2-pyrimidyl)benzenesulfonamide; Sulfanilamide, N(sup1)-(2,6-dimethyl-4-pyrimidinyl)-; Sentry aq mardel biospheres maracyn plus; Spectrum_000990; [(4-Aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)amine; 4-amino-N-(4; Opera_ID_1374; Prestwick0_000775; Prestwick1_000775; Prestwick2_000775; Prestwick3_000775; Spectrum2_001321; Spectrum3_001700; Spectrum4_000344; Spectrum5_001270; Sulfamethazine, >=99%; CHEMBL446; Epitope ID:122238; Cambridge id 5251384; NCIOpen2_003489; BIDD:PXR0093; Oprea1_142608; Oprea1_677935; BSPBio_000850; BSPBio_003260; CBDivE_012932; KBioGR_000747; KBioSS_001470; 5-25-10-00250 (Beilstein Handbook Reference); MLS000103403; MLS001077331; MLS002454449; DivK1c_000293; SCHEMBL151305; SPECTRUM1500548; SPBio_001441; SPBio_002789; BPBio1_000936; DTXSID6021290; Sulfanilamide, N(sup 1)-(4,6-dimethyl-2-pyrimidinyl)-; ASWVTGNCAZCNNR-UHFFFAOYSA-; HMS500O15; KBio1_000293; KBio2_001470; KBio2_004038; KBio2_006606; KBio3_002480; ZINC57494; NINDS_000293; HMS1921A17; HMS2092I19; HMS3652K03; Pharmakon1600-01500548; ALBB-033473; BCP28439; HY-B0035; Tox21_110847; Tox21_202221; Tox21_303006; CCG-39259; NSC757326; s3133; STK097514; AKOS000119894; Tox21_110847_1; BN-2409; DB01582; MCULE-7831442410; MS-1576; NSC-757326; IDI1_000293; NCGC00018243-01; NCGC00018243-02; NCGC00018243-03; NCGC00018243-04; NCGC00018243-05; NCGC00018243-06; NCGC00018243-08; NCGC00018243-09; NCGC00021490-03; NCGC00021490-04; NCGC00021490-05; NCGC00021490-06; NCGC00256371-01; NCGC00259770-01; Sulfadimidine solution, 1 mg/mL in H2O; WLN: T6N CNJ BMSWR DZ& D1 F1; AC-16126; H462; Sulfanilamide,6-dimethyl-4-pyrimidinyl)-; SBI-0051522.P003; SULFAMETHAZINE (TRISULFAPYRIMIDINES); FT-0655603; FT-0674743; N1-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide; SW219689-1; Benzenesulfonamide,6-dimethyl-4-pyrimidinyl)-; Sulfamethazine 100 microg/mL in Acetonitrile; C19530; D02436; N1-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide; AB00052097_12; AB00052097_13; A831551; SR-01000000211; Sulfamethazine, Vetec(TM) reagent grade, >=99%; Sulfamethazine, VETRANAL(TM), analytical standard; Q3976823; SR-01000000211-3; W-105450; 4-amino-N-(4,6-dimethyl-2-pyridyl)benzenesulfonamide; BRD-K11640013-001-02-6; BRD-K11640013-236-03-6; 2-(4-Aminobenzenesulfonylamino)-4,6-dimethylpyrimidine; F1443-4796; N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide sulfadimidine; Sulfadimidine, European Pharmacopoeia (EP) Reference Standard; (4-AMINO-N-(4,6-DIMETHYL-2-PYRIMIDINYL)BENZENE SULFONAMIDE; 4-amino-N~1~-(4,6-dimethyl-2-pyrimidinyl)-1-benzenesulfonamide; HSDB 4157; HSDB 4157; HSDB 4157;Sulfadimidine;Sulfadimerazine; Sulfamethazine, United States Pharmacopeia (USP) Reference Standard; Sulfadimidine for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:102265	DB01582	DR01210	.	278.33	C12H14N4O2S	106	377	0.3	19	2	6	3	"1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)"	CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C	ASWVTGNCAZCNNR-UHFFFAOYSA-N
DG00813	Sulfaphenazole	5335	"Sulfaphenazole; 526-08-9; Sulphaphenazole; Sulfabid; Plisulfan; Raziosulfa; Sulfaphenazol; Sulfaphenazon; Depocid; 4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide; Depotsulfonamide; Sulfafenazol; Sulphenazole; Sulfaphenylpyrazole; Sulfaphenylpipazol; Sulfaphenazolum; Merian; Sulfafenazolo; Eftolon; Firmazolo; Paidazolo; Inamil; Isarol; Orisul; 1-Phenyl-5-sulfanilamidopyrazole; 5-Sulfanilamido-1-phenylpyrazole; Microtan pirazolo; N'-(1-Phenylpyrazol-5-yl)sulfanilamide; Sulfafenazolo [Italian]; 3-(p-Aminobenzenesulfonamido)-2-phenylpyrazole; Sulfafenazol [INN-Spanish]; Sulfaphenazol [INN-French]; Sulfaphenazolum [INN-Latin]; Benzenesulfonamide, 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)-; 4-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide; UNII-0J8L4V3F81; N1-(1-Phenylpyrazol-5-yl)sulfanilamide; 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzene-1-sulfonamide; CHEMBL1109; N(1)-(1-Phenylpyrazol-5-yl)sulfanilamide; CHEBI:77780; 0J8L4V3F81; Sulfaphenylpyrazol; Phenylsulfapyrazole; MFCD00057226; NSC-757859; NCGC00015925-02; Solfafenazolo; CAS-526-08-9; Solfafenazolo [DCIT]; DSSTox_CID_24131; DSSTox_RID_80106; DSSTox_GSID_44131; Orisulf; Isarol V; SMR000326684; Prestwick_454; SR-01000075649; N(sup 1)-(1-Phenylpyrazol-5-yl)sulfanilamide; EINECS 208-384-3; Lopac-S-0758; Sulfaphenazole (JAN/INN); BRN 0308518; Sulfonylpyrazol; Sulfaphenazole [INN:BAN:JAN]; Sulfabid (TN); Spectrum_001406; Prestwick0_000021; Prestwick1_000021; Prestwick2_000021; Prestwick3_000021; Spectrum2_001943; Spectrum3_001741; Spectrum4_000443; Spectrum5_001185; Sulfaphenazole, >=98%; Sulfanilamide, N1-(1-phenylpyrazol-5-yl)-; Lopac0_001095; BSPBio_000081; BSPBio_003442; KBioGR_000826; KBioSS_001886; 5-25-09-00415 (Beilstein Handbook Reference); MLS000859612; MLS001056713; DivK1c_000303; SCHEMBL122040; SPECTRUM1501143; SPBio_002002; SPBio_002005; BPBio1_000091; DTXSID2044131; GTPL11352; HMS500P05; KBio1_000303; KBio2_001886; KBio2_004454; KBio2_007022; KBio3_002662; ZINC57490; 4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)-benzenesulfonamide; 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide; Sulfanilamide, N(sup 1)-(1-phenylpyrazol-5-yl)- (8CI); NINDS_000303; HMS1568E03; HMS1921J13; HMS2095E03; HMS2235J21; HMS3263K12; HMS3373E16; HMS3712E03; Pharmakon1600-01501143; Sulfaphenazole, >=98% (HPLC); ALBB-025160; BCP27626; HY-B1218; STR05485; Tox21_110262; Tox21_501095; BDBM50090677; CCG-39431; NSC757859; Pyrazole, 1-phenyl-5-sulfanilamido-; s3673; STK663863; AKOS003348743; Tox21_110262_1; CS-4843; DB06729; LP01095; MCULE-5658431414; NSC 757859; SDCCGSBI-0051065.P004; IDI1_000303; NCGC00015925-01; NCGC00015925-03; NCGC00015925-04; NCGC00015925-05; NCGC00015925-06; NCGC00015925-07; NCGC00015925-08; NCGC00015925-09; NCGC00015925-10; NCGC00015925-12; NCGC00015925-13; NCGC00015925-17; NCGC00094368-01; NCGC00094368-02; NCGC00094368-03; NCGC00094368-04; NCGC00094368-05; NCGC00261780-01; SBI-0051065.P003; AB00052218; EU-0101095; FT-0761575; Z3406; Sulfaphenazole 100 microg/mL in Acetonitrile; BIM-0051065.0001; D01954; D70410; S 0758; AB00052218_10; Q6577293; SR-01000075649-2; SR-01000075649-7; SR-01000075649-8; SR-01000075649-9; BRD-K10671814-001-05-6; BRD-K10671814-001-09-8; 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)-1-benzenesulfonamide; BRN-0308518; BRN0308518; BRN 0308518;Sulfabid;Sulfaphenylpyrazol;Sulphaphenazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77780	DB06729	DR01009	.	314.4	C15H14N4O2S	98.4	451	1.5	22	2	5	4	"1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2"	C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)N	QWCJHSGMANYXCW-UHFFFAOYSA-N
DG00816	Sulfisoxazole	5344	"Sulfisoxazole; Sulfafurazole; 127-69-5; Sulphafurazole; Sulfisoxazol; Sulfafurazol; Sulfaisoxazole; Sulfofurazole; Sulfisoxasole; Sulphaisoxazole; Gantrisin; Sulfadimethylisoxazole; Alphazole; Amidoxal; Sulfalar; Sulfoxol; Sulfisoxazole dialamine; Sulphafurazolum; Renosulfan; Sulfasoxazole; Sulfisonazole; Accuzole; Soxomide; Sulfazin; Sulfizin; Sulsoxin; Sosol; Roxosul tablets; Sulphafurazol; Sulphisoxazol; Sulphofurazole; Chemouag; Cosoxazole; Gantrisona; Gantrosan; Isoxamin; Neazolin; Neoxazol; Sulfagan; Sulfasol; Uritrisin; Entusil; Entusul; Pancid; Soxisol; Stansin; Sulbio; Thiasin; Unisulf; Sulphadimethylisoxazole; Norilgan-S; Tl-azole; V-Sul; SK-Soxazole; 4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide; Sulfafurazolum; Sulphisoxazole; Dorsulfan; Gantrisine; Novazolo; Novosaxazole; Saxosozine; Sodizole; Soxamide; Soxazole; Soxitabs; Sulfapolar; Sulfisin; Sulfizol; Sulfizole; Urisoxin; Roxosul; Urogan; Vagilia; Azo Gantrisin; Dorsulfan warthausen; Koro-sulf; SOXO; J-Sul; 3,4-Dimethyl-5-sulfonamidoisoxazole; 3,4-Dimethyl-5-sulfanilamidoisoxazole; 5-Sulfanilamido-3,4-dimethylisoxazole; Benzenesulfonamide, 4-amino-N-(3,4-dimethyl-5-isoxazolyl)-; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide; 3,4-Dimethyl-5-sulphonamidoisoxazole; 3,4-Dimethylisoxazole-5-sulfanilamide; G-sox; 3,4-Dimethyl-5-sulphanilamidoisoxazole; 3,4-Dimethylisoxazole-5-sulphanilamide; 5-Sulphanilamido-3,4-dimethyl-isoxazole; 5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole; 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole; 5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole; N1-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide; NCI-C50022; ERYZOLE; NU 445; Pediazole; U.S.-67; C11H13N3O3S; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide; 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide; Sulfafurazole (INN); N(Sup1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; UNII-740T4C525W; CHEBI:102484; Gantrisin (TN); Sulfisoxazolum; component of Azo-Sulfizin; MFCD00003150; component of Azo Gantrisin; CHEMBL453; N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulphanilamide; 4-amino-N-(dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide; NSC13120; 3,4-Dimethylisoxale-5-sulfanilamide; NSC-13120; NSC683536; Sulfafurazole [INN]; 740T4C525W; NSC-683536; Sulfazin (VAN); NCGC00016384-03; NCGC00016384-10; Azosulfizin; Solfafurazolo; Sulphafuraz; 4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide; Astrazolo; Bactesulf; Barazae; CAS-127-69-5; Resoxol; Roxoxol; Sulfagen; Suloxsol; Ganda; 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide; Solfafurazolo [DCIT]; DSSTox_CID_1292; NU-445; N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide; DSSTox_RID_76064; DSSTox_GSID_21292; N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide; 5-(p-Aminobenzenesulfonamido)-3,4-dimethylisooxale; Sulfafurazolum [INN-Latin]; WLN: T5NOJ CMSWR DZ& D1 E1; Sulfanilamide,4-dimethyl-5-isoxazolyl)-; SMR000037657; CCRIS 568; HSDB 797; Benzenesulfonamide,4-dimethyl-5-isoxazolyl)-; N1-(3,4-dimethylisoxazole-5-yl)sulfanilamide; SR-01000003085; EINECS 204-858-9; NSC 13120; Sulfisoxazole [USP:JAN]; NSC 683536; BRN 0263871; Gantrizin; AI3-24003; Component of Azo Gantrisin Accuzole; Prestwick_726; N(sup 1)-(3,4-Dimethyl-5-isoxazolyl)sulfanilamide; Spectrum_001024; Tocris-0731; Prestwick0_000334; Prestwick1_000334; Prestwick2_000334; Prestwick3_000334; Spectrum2_001325; Spectrum3_001728; Spectrum4_000349; Spectrum5_001222; Azo-Sulfizin (Salt/Mix); Azo Gantrisin (Salt/Mix); Epitope ID:122240; Sulfisoxazole (JP17/USP); Sulfisoxazole, >=99.0%; Oprea1_680668; Oprea1_828173; SCHEMBL23467; Sulfanilamide, N1-(3,4-dimethyl-5-isoxazolyl)-; BSPBio_000367; BSPBio_003376; KBioGR_000757; KBioSS_001504; 4-27-00-04747 (Beilstein Handbook Reference); MLS000028495; MLS000037737; MLS000563718; BIDD:GT0322; DivK1c_000579; SPECTRUM1500555; SPBio_001449; SPBio_002288; BPBio1_000405; DTXSID6021292; Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-; HMS501M21; KBio1_000579; KBio2_001504; KBio2_004072; KBio2_006640; KBio3_002596; [(4-aminophenyl)sulfonyl](3,4-dimethylisoxazol-5-yl)amine; 4-amino-N-(3,4-dimethylisoxazol-5-yl)-benzenesulfonamide; NINDS_000579; HMS1569C09; HMS2092K13; HMS2096C09; HMS2233G23; HMS3259C06; HMS3266N17; HMS3374K11; HMS3411F03; HMS3655B03; HMS3675F03; HMS3713C09; NU445; Pharmakon1600-01500555; ALBB-014131; HY-B0323; NSC33807; NSC38588; STR04988; Tox21_110409; Tox21_112958; Tox21_202265; Tox21_302851; BDBM50034452; CCG-39263; NSC-33807; NSC-38588; NSC757343; s1916; STK400452; ZINC96006009; AKOS000119074; AKOS000310021; Tox21_110409_1; AC-1941; DB00263; MCULE-3522661051; NC00536; NSC-757343; IDI1_000579; NCGC00016384-01; NCGC00016384-02; NCGC00016384-04; NCGC00016384-05; NCGC00016384-06; NCGC00016384-07; NCGC00016384-08; NCGC00016384-09; NCGC00016384-11; NCGC00016384-12; NCGC00016384-14; NCGC00016384-15; NCGC00023116-02; NCGC00023116-05; NCGC00023116-06; NCGC00023116-07; NCGC00023116-08; NCGC00256605-01; NCGC00259814-01; R536; SBI-0051529.P003; DB-041869; UPCMLD00X127-69-5:001; AB00052104; BB 0259593; FT-0631743; SW196872-3; U0098; C07318; D00450; H10712; J10241; N1-(3,4-Dimethyl-5-isoxazolyl)sulphanilamide; AB00052104-14; AB00052104_15; AB00052104_16; Q372598; Sulfisoxazole, VETRANAL(TM), analytical standard; 5-(4-Aminophenylsulphonamido)-3,4-dimethylisoxazole; J-005528; SR-01000003085-2; SR-01000003085-5; SR-01000003085-6; 5-(p-Aminobenzenesulphonamide)-3,4-dimethylisoxazole; BRD-K50859149-001-05-4; BRD-K50859149-001-10-4; Sulfanilamide, N(sup1)-(3,4-dimethyl-5-isoxazolyl)-; Sulfanilamide, N.sup1.-(3,4-dimethyl-5-isoxazolyl)-; F0848-0391; 4-amino-N-(3,4-dimethyl-5-isoxazolyl)benzene-sulfonamide; 4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide #; Sulfafurazole, European Pharmacopoeia (EP) Reference Standard; Sulfisoxazole, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:102484	DB00263	.	DR1510	267.31	C11H13N3O3S	107	374	1	18	2	6	3	"1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3"	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	NHUHCSRWZMLRLA-UHFFFAOYSA-N
DG00819	Tazarotene	5381	"Tazarotene; 118292-40-3; Tazorac; Zorac; Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate; Avage; AGN-190168; Fabior; AGN 190168; Tazarotene (Avage); UNII-81BDR9Y8PS; C21H21NO2S; 81BDR9Y8PS; CHEMBL1657; ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate; CHEBI:32184; ethyl 6-[2-(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]pyridine-3-carboxylate; NCGC00167525-01; ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinate; DSSTox_CID_26691; DSSTox_RID_81825; DSSTox_GSID_46691; tazaroteno; tazarotenum; Suretin; Tazoral; Zora; 6-(4,4-Dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester; Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate;6-(4,4-dimethyl-thiochroman-6-ylethynyl)-nicotinic acid ethyl ester; Tazorac (TN); Avage (TN); CAS-118292-40-3; Acnitaz; ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylate; ethyl 6-(2-(4,4-dimethylthiochroman-6-yl)-ethynyl)nicotinate; Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)-ethynyl]nicotinate; Tazarotene (JAN/USAN/INN); Tazarotene [USAN:INN:BAN]; Zorac; ; ; Tazorac; Tazarotene,(S); Tazarotene- Bio-X; Fabior (TN); 3-Pyridinecarboxylic acid, 6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-, ethyl ester; SCHEMBL3134; Idp-123; MLS003915630; BIDD:GT0293; GTPL6952; DTXSID5046691; HMS3655K05; HMS3747C19; HMS3747E19; ACT06773; AMY31169; BCP22966; ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl] nicotinate; ZINC1542199; Tox21 112522; Tox21_112522; AC-755; BDBM50265951; MFCD00867628; s1569; AKOS015902872; Tox21_112522_1; BS-1012; CCG-268046; CS-1029; DB00799; NCGC00167525-02; NCGC00167525-03; 6-[(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester; BT164442; HY-15388; SMR002096194; BCP0726000163; DB-014992; FT-0652578; SW220026-1; T3108; AGN190168, AGN-190168; D01132; AB01274801-01; AB01274801_02; 292T403; A846572; SR-01000931253; Q-102516; Q3981685; SR-01000931253-2; Ethyl 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinate; 6-(4,4-dimethylthiochroman-6-ylethynyl) nicotinic acid ethyl ester; (+/-)OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLICACIDHYDROCHLORIDE; 6-(2-(4,4-dimethyl-thiochroman-6yl)ethynyl)-nicotinic acid ethyl ester; Ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate; 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]- 3-pyridinecarboxylic Acid Ethyl Ester; 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester; 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylicacidethylester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32184	DB00799	.	DR1536	351.5	C21H21NO2S	64.5	547	4.9	25	0	4	5	"1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3"	CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C	OGQICQVSFDPSEI-UHFFFAOYSA-N
DG00824	Tiapride	5467	"Tiapride; 51012-32-9; Thiapride; N-(2-(Diethylamino)ethyl)-2-methoxy-5-(methylsulfonyl)benzamide; UNII-LAH70H9JPH; Thiapride; Tiapride; N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide; LAH70H9JPH; Benzamide, N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)-; BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-METHOXY-5-(METHYLSULFONYL)-; Tiaprida; Tiapridum; Tiapridum [INN-Latin]; Tiaprida [INN-Spanish]; FLO 1347; Tiapride [INN:BAN:DCF]; NSC-758225; NCGC00015996-02; EINECS 256-907-9; CAS-51012-33-0; BRN 2390588; Tiapridal (TN); Tiapride (INN); Spectrum_001354; Prestwick0_000216; Prestwick1_000216; Prestwick2_000216; Prestwick3_000216; Spectrum2_001521; Spectrum3_001556; Spectrum4_000778; Spectrum5_001048; Lopac-T-0410; Lopac0_001124; SCHEMBL34750; BSPBio_000231; BSPBio_003032; KBioGR_001196; KBioSS_001834; CHEMBL84158; DivK1c_000738; SPBio_001302; SPBio_002152; BPBio1_000255; DTXSID0023664; BDBM82073; CHEBI:94666; JTVPZMFULRWINT-UHFFFAOYSA-; KBio1_000738; KBio2_001834; KBio2_004402; KBio2_006970; KBio3_002532; N-(2-(Diethylamino)ethyl)-5-(methylsulfonyl)-o-anisamide; NINDS_000738; NSC_5467; ZINC1542927; AKOS015888370; CCG-205199; DB13025; MCULE-5546780960; NSC 758225; SDCCGSBI-0051092.P004; IDI1_000738; NCGC00015996-01; NCGC00015996-03; NCGC00015996-04; NCGC00015996-05; NCGC00015996-06; NCGC00015996-07; NCGC00015996-14; NCGC00024353-03; AC-12185; SBI-0051092.P003; CAS_51012-32-9; AB00053640; D08590; AB00053640_12; 012T329; L001185; Q416414; BRD-K57432881-003-05-1; BRD-K57432881-003-14-3; N-(2-Diethylaminoethyl)-2-Methoxy-5-Methylsulfonyl-Benzamide; N-(DIETHYLAMINOETHYL) 2-METHOXY 5-METHYLSULFONYLBENZAMIDE; diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride; N-[2-(diethylamino)ethyl]-2-(methyloxy)-5-(methylsulfonyl)benzamide; N-[2-(diethylamino)ethyl]-5-methanesulfonyl-2-methoxybenzene-1-carboximidic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94666	DB13025	.	.	328.4	C15H24N2O4S	84.1	443	0.9	22	1	5	8	"1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)"	CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC	JTVPZMFULRWINT-UHFFFAOYSA-N
DG00831	Tropicamide	5593	"Tropicamide; 1508-75-4; Mydriacyl; Mydriaticum; Bistropamide; N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide; Tropicamidum; Visumidriatic; Ro 1-7683; N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide; Mydriafair; Tropicacyl; Minims tropicamide; Epitromina; Tropikamid; Mydrum; Tropimil; MFCD00058580; NSC-757372; NCGC00016065-07; Tropicamida; Benzeneacetamide, N-ethyl-.alpha.-(hydroxymethyl)-N-(4-pyridinylmethyl)-; DSSTox_CID_25220; DSSTox_RID_80757; DSSTox_GSID_45220; Tropicamidum [INN-Latin]; Tropicamida [INN-Spanish]; Tropicamid; Mydriacyl (TN); N-Ethyl-N-(4-pyridylmethyl)tropamid; N-Ethyl-N-(4-pyridylmethyl)tropamide; SMR000058523; SR-01000075351; EINECS 216-140-2; N-Ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)benzeneacetamide; BRN 0285563; Tropicamide, solid; Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-; Prestwick_487; CAS-1508-75-4; component of Paremyd; Hydracrylamide, N-ethyl-2-phenyl-N-(4-pyridylmethyl)-; Tropicamide [USAN:USP:INN:BAN:JAN]; (+-)-N-Ethyl-2-phenyl-N-(4-pyridylmethyl)hydracrylamide; Spectrum_000584; Prestwick0_000228; Prestwick1_000228; Prestwick2_000228; Prestwick3_000228; Spectrum2_000936; Spectrum3_000655; Spectrum4_000377; Spectrum5_001585; T 9778; Lopac0_001223; SCHEMBL23975; BSPBio_000275; BSPBio_002289; KBioGR_000873; KBioSS_001064; 5-22-09-00359 (Beilstein Handbook Reference); MLS001306442; MLS002154240; DivK1c_000448; SPECTRUM1500599; SPBio_000872; SPBio_002196; BPBio1_000303; CHEBI:9757; GTPL7319; Tropicamide (JP17/USP/INN); CHEMBL1200604; DTXSID8045220; BDBM82371; HMS501G10; KBio1_000448; KBio2_001064; KBio2_003632; KBio2_006200; KBio3_001509; NINDS_000448; HMS1568N17; HMS1921I09; HMS2089M05; HMS2092A18; HMS2095N17; HMS2235J15; HMS3259M18; HMS3263F08; HMS3267A13; HMS3373B07; HMS3411F14; HMS3651K04; HMS3675F14; HMS3712N17; HMS3742C05; HMS3884E16; Pharmakon1600-01500599; BCP13504; HY-B0321; NSC_5593; Tox21_110297; Tox21_501223; AC-816; BBL028074; CCG-40076; NSC757372; s1913; STK934612; AKOS005664076; Tox21_110297_1; AM84467; DB00809; KS-5174; LP01223; MCULE-4102613027; NC00589; NSC 757372; SDCCGSBI-0051190.P004; Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-, (+-)-; IDI1_000448; SMP1_000304; NCGC00016065-03; NCGC00016065-04; NCGC00016065-05; NCGC00016065-06; NCGC00016065-08; NCGC00016065-09; NCGC00016065-11; NCGC00016065-22; NCGC00024866-02; NCGC00024866-03; NCGC00024866-04; NCGC00024866-05; NCGC00024866-06; NCGC00261908-01; CAS_1508-75-4; SBI-0051190.P003; RO-1-7683; AB00052120; EU-0101223; FT-0657590; SW196691-3; T1470; C72868; D00397; Q29310; AB00052120-10; AB00052120_11; AB00052120_12; 508T754; L001262; Q-201902; SR-01000075351-1; SR-01000075351-3; SR-01000075351-5; SR-01000075351-7; BRD-A79672927-001-05-8; BRD-A79672927-001-10-8; Tropicamide, European Pharmacopoeia (EP) Reference Standard; N-Ethyl-3-hydroxy-2-phenyl-N-(4-pyridinylmethyl)propanamide #; Tropicamide, United States Pharmacopeia (USP) Reference Standard; Tropicamide for peak identification, European Pharmacopoeia (EP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9757	DB00809	.	.	284.35	C17H20N2O2	53.4	310	1.5	21	1	3	6	"1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3"	CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2	BGDKAVGWHJFAGW-UHFFFAOYSA-N
DG00839	L-alanine	5950	"L-alanine; alanine; 56-41-7; (S)-Alanine; L-alpha-alanine; L-2-Aminopropionic acid; (S)-2-Aminopropanoic acid; H-Ala-OH; (2S)-2-Aminopropanoic acid; L-(+)-Alanine; L-2-Aminopropanoic acid; 2-Aminopropionic acid; alpha-Alanine; L-alpha-Aminopropionic acid; alpha-Aminopropionic acid; L-2-Aminopropionsaeure; Alaninum [Latin]; (S)-(+)-Alanine; L-S-Aminopropionic acid; (L)-Alanine; Alanine (VAN); (S)-2-Aminopropionsaeure; Poly-L-alanine; 2-Aminopropanoic acid, L-; (S)-alpha-Aminopropionsaeure; Alanine [USAN:INN]; Alanina [DCIT,Spanish]; ALANINE, L-; L-Alanine, homopolymer; L-a-Aminopropionic acid; L-Alanin; Propanoic acid, 2-amino-, (S)-; HSDB 1801; (S)-2-Aminopropionic acid; NSC 206315; L-Alanine homopolymer; 25191-17-7; MFCD00064410; L-.alpha.-Aminopropionic acid; CHEMBL279597; CHEBI:16977; Alanine (L-Alanine); polyalanine; Alaninum; Poly-DL-alanine; L-a-Alanine; 14C-L-Alanine; a-Aminopropionic acid; (2S)-2-aminopropanoate; (C14)L-Alanine; .alpha.-Alanine; L-.alpha.-Alanine; L-&alpha-alanine; Alanine (USP); L-Alanine (9CI); 2-Ammoniopropanoate; Propanoic acid, 2-amino-; .alpha.-Aminopropionic acid; L-Alanine, labeled with carbon-14; EINECS 200-273-8; Ritalanine; Racemic alanine; L-aAlanine; a-Aminopropionate; L-Alanine, labeled with tritium; 3h-l-alanine; L-Alanine Powder; Propanoic acid, 2-amino-, (S); [3H]alanine; L-a-Aminopropionate; L-Ala; [14C]alanine; [3H]-alanine; alpha-Aminopropanoate; alpha-Aminopropionate; L-2-Aminopropanoate; L-2-Aminopropionate; L-Alanine,(S); [14C]-alanine; L-alpha-Aminopropionate; Tocris-0205; 2-Ammoniopropanoic acid; ALA-OH; starbld0003382; L-Alanine (JP17); (S)-2-Aminopropanoate; alpha-Aminopropanoic acid; L-Ala-2; (S)-2-amino-Propanoate; L-Alanine, >=99%; bmse000028; bmse000994; EC 200-273-8; L-CH3CH(NH2)COOH; GTPL720; (S)-2-amino-Propanoic acid; (2S)-2-azanylpropanoic acid; Alanine, L- (7CI,8CI); GTPL4542; GTPL4543; L-Alanine, Cell Culture Reagent; DTXSID20873899; L-Alanine, >=98% (TLC); L-Alanine, 99%, natural, FG; F4F207FF-8FF8-4789-99A1-147AE0A36673; HY-N0229; STR01663; ZINC4658553; L-Alanine, >=99.0% (NT); AC-014; BDBM50000099; s5631; (S)-2-aminopropanoic acid;H-Ala-OH; AKOS010367904; AKOS015840030; CCG-266017; CS-W020002; DB00160; MCULE-7791919887; L-Alanine, purum, >=98.0% (NT); NCGC00024494-01; AC-24031; BP-13281; L-Alanine, BioUltra, >=99.5% (NT); DB-029940; L-Alanine, SAJ special grade, >=99.0%; A0179; AM20100374; A15652; C00041; D00012; D84362; 064A410; A803529; Q218642; SR-01000597687; J-015860; Q-201274; SR-01000597687-3; L-Alanine, certified reference material, TraceCERT(R); Alanine, European Pharmacopoeia (EP) Reference Standard; F0001-2354; Z940713326; UNII-0O72R8RF8A component QNAYBMKLOCPYGJ-REOHCLBHSA-N; UNII-1FU7983T0U component QNAYBMKLOCPYGJ-REOHCLBHSA-N; UNII-OF5P57N2ZX component QNAYBMKLOCPYGJ-REOHCLBHSA-N; L-Alanine, United States Pharmacopeia (USP) Reference Standard; L-Alanine, Pharmaceutical Secondary Standard; Certified Reference Material; 115967-49-2; 77160-91-9; L-Alanine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=98.5%; L-Alanine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16977	.	DR00142	.	89.09	C3H7NO2	63.3	61.8	-3	6	2	3	1	"1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1"	C[C@@H](C(=O)O)N	QNAYBMKLOCPYGJ-REOHCLBHSA-N
DG00843	Cysteamine	6058	"CYSTEAMINE; 2-Aminoethanethiol; 60-23-1; Mercaptamine; Thioethanolamine; Becaptan; Mercamine; Cysteinamine; beta-Mercaptoethylamine; 2-Mercaptoethylamine; Cysteamin; Lambraten; Lambratene; beta-Aminoethanethiol; Cystagon; Riacon; Decarboxycysteine; Mercaptoethylamine; 2-Amino-1-ethanethiol; Ethanethiol, 2-amino-; Cisteamina; 2-Aminoethyl mercaptan; beta-Aminoethylthiol; 2-Mercaptoethanamine; Mercaptamin; (2-Mercaptoethyl)amine; MEA (mercaptan); Ethanethiolamine; 2-AMINO-ETHANETHIOL; beta-MEA; Aminoethyl mercaptan; Mercaptamina; Mercaptaminum; Cysteamide; Mecramine; Mercamin; Merkamin; Cisteamina [Italian]; Cystaran; Mercaptaminum [INN-Latin]; Mercaptamina [INN-Spanish]; 1-Amino-2-mercaptoethylamine; L-1573; Cysteamine (USAN); WR 347; 2-aminoethane-1-thiol; UNII-5UX2SD1KE2; b-Mercaptoethylamine; NSC 647528; Cysteamine [USAN]; Mercaptamine (INN); .beta.-Mercaptoethylamine; 5UX2SD1KE2; CHEBI:17141; 2-aminoethane-1-thiol; Cysteamine; Mercaptamine [INN]; NSC647528; NSC-647528; NCGC00015691-03; Cysteamine [USAN:BAN]; beta-Mercaptoethylamine;2-Aminoethanethiol;2-Mercaptoethylamine; C2H7NS; Cysteamine bitartate; CCRIS 3083; HSDB 7353; EINECS 200-463-0; L 1573; Cystagone; b-Aminoethylthiol; b-mea; b-Aminoethanethiol; mercapto ethylamine; DHL; MFCD00008196; 2-amino-ethyl thiol; CASH; .beta.-MEA; Cysteamine, ~95%; Cysteamine, free base; .beta.-Aminoethylthiol; Spectrum_001755; .beta.-Aminoethanethiol; SpecPlus_000654; Lopac-M-6500; DSSTox_CID_2875; bmse000388; CHEMBL602; C-9500; DSSTox_RID_76770; DSSTox_GSID_22875; KBioSS_002235; DivK1c_006750; BDBM7968; GTPL7440; 2,3-DESHYDROLANTHIONINE; DTXSID3022875; KBio1_001694; KBio2_002235; KBio2_004803; KBio2_007371; Cysteamine, >=98.0% (RT); BCP15015; ZINC8034121; Tox21_113092; HY-77591A; s6402; STK315355; AKOS003793343; CCG-204834; DB00847; MCULE-1838427828; SDCCGSBI-0050727.P004; CAS-60-23-1; NCGC00015691-01; NCGC00015691-02; NCGC00015691-04; NCGC00015691-14; NCGC00162236-01; NCGC00162236-02; AMY202100105; AS-56218; BP-13401; NCI60_002000; SBI-0050727.P003; DB-053562; A0648; FT-0611243; V0810; C01678; D03634; D88299; D88360; AB00053754_09; AB00053754_10; A832648; Cysteamine, 2-Mercaptoethylamine, Thioethanolamine; Q617563; F0001-1576; 2DFDA1F8-7010-4225-8280-AB1C4C43F546; 2-Aminoethanethiol;cysteamine, beta-Mercaptoethylamine, 2-Mercaptoethylamine, Decarboxycysteine, Thioethanolamine, Mercaptamine; 2-Mercaptoethylamine, polymer-bound, 70-90 mesh, extent of labeling: 0.6-1.1 mmol/g loading, 1 % cross-linked with divinylbenzene"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:17141	DB00847	.	.	77.15	C2H7NS	27	10	-0.4	4	2	2	1	"1S/C2H7NS/c3-1-2-4/h4H,1-3H2"	C(CS)N	UFULAYFCSOUIOV-UHFFFAOYSA-N
DG00844	Methoxamine	6082	"Methoxamine; Methoxamin; Pseudomethoxamine; 390-28-3; Vasoxyl; 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol; Methoxamedrine; 2,5-Dimethoxynorephedrine; Metossamina; 2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol; CHEMBL524; Benzenemethanol, alpha-(1-aminoethyl)-2,5-dimethoxy-; CHEBI:6839; alpha-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol; Benzenemethanol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-; Benzyl alcohol, .alpha.-(1-aminoethyl)-2,5-dimethoxy-; Methoxamine (BAN); Benzyl alcohol, alpha-(1-aminoethyl)-2,5-dimethoxy-; Spectrum_001021; Prestwick0_000535; Prestwick1_000535; Prestwick2_000535; Prestwick3_000535; Spectrum2_000776; Spectrum3_000498; Spectrum4_000051; Spectrum5_001821; (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol; Lopac0_000769; SCHEMBL34158; BSPBio_000549; BSPBio_001995; GTPL483; KBioGR_000541; KBioSS_001501; 2-amino-1-[2,5-bis(methyloxy)phenyl]propan-1-ol; SPBio_000852; SPBio_002470; BPBio1_000605; NRL001; DTXSID0023290; KBio2_001501; KBio2_004069; KBio2_006637; KBio3_001495; NRL-001; BDBM50026777; CCG-204854; DB00723; MCULE-1220066468; SDCCGSBI-0050747.P004; NCGC00015692-03; NCGC00015692-04; NCGC00015692-06; NCGC00015692-08; NCGC00015692-13; NCGC00089793-02; SBI-0050747.P003; AB00053731; C07513; D08201; 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol; 2-Amino-1-(2,5-dimethoxyphenyl)-1-propanol #; AB00053731_12; AB00053731_13; 390M283; L000757; Q685119; BRD-A39189014-003-14-4; (.+/-.)-.alpha.-(1-Aminoethyl)-2,5-dimethoxybenzyl alcohol; 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol (methoxamine); 2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol(Methoxamine); 2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6839	DB00723	DR01182	.	211.26	C11H17NO3	64.7	189	0.5	15	2	4	4	"1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3"	CC(C(C1=C(C=CC(=C1)OC)OC)O)N	WJAJPNHVVFWKKL-UHFFFAOYSA-N
DG00849	Trifluridine	6256	"Trifluridine; TRIFLUOROTHYMIDINE; 70-00-8; Viroptic; 5-Trifluorothymidine; Trifluoromethyldeoxyuridine; Trifluridina; Virophta; F3DThd; 5-(Trifluoromethyl)deoxyuridine; F3TDR; Trifluridinum; 5-Trifluoromethyl-2-deoxyuridine; Trifluorothymine deoxyriboside; 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; TFDU; 2'-Deoxy-5-trifluoromethyluridine; UNII-RMW9V5RW38; alpha,alpha,alpha-Trifluorothymidine; NSC 75520; NSC 529182; Uridine, 2'-deoxy-5-(trifluoromethyl)-; 2'-Deoxy-5-(trifluoromethyl)uridine; Trifluridine (Viroptic); MFCD00006534; CHEMBL1129; RMW9V5RW38; MLS000028361; CHEBI:75179; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione; Triflurdine (Viroptic); Fluridine; SMR000058583; Trifluridinum [INN-Latin]; Trifluridina [INN-Spanish]; F3T; DSSTox_CID_26602; DSSTox_RID_81757; DSSTox_GSID_46602; 5-Trifluoromethyl-2'-deoxyuridine; 5-Trifluoro-2'-deoxythymidine; 5-(Trifluoromethyl)-2'-deoxyuridine; CF3dUrd; Viroptic (TN); Thymidine, alpha,alpha,alpha-trifluoro-; CCRIS 2348; EINECS 200-722-8; BRN 0568095; NSC75520; NSC-75520; NSC529182; Trifluridine [USAN:USP:INN]; HSDB 8126; NSC-529182; CAS-70-00-8; NCGC00166323-01; HS-0007; Opera_ID_1810; 5-Trifluoromethylthymidine; Trifluoromethyl Deoxyuridine; cid_6256; SCHEMBL3479; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)-; MLS001148248; MLS006010219; Trifluridine (JAN/USP/INN); GTPL8697; DTXSID4046602; cid_6708818; HMS2233N19; HMS3715C14; 5-trifluoromethyl-2''-deoxyuridine; BCP09147; HY-A0061; ZINC3842753; Tox21_112411; BDBM50132298; Trifluorothymidine, >=99% (HPLC); AKOS015919482; Tox21_112411_1; CCG-221056; CS-1602; DB00432; NCGC00166323-02; NCGC00166323-16; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione; SRI-10817-12; SRI-10817_14; AM20100660; S1778; SW199522-2; T2511; D00391; 006T534; A836733; SR-01000721911; J-700255; J-700357; Q2359590; SR-01000721911-2; BRD-K03243820-001-12-1; BRD-K03243820-001-25-3; Trifluridine, British Pharmacopoeia (BP) Reference Standard; Trifluridine;FTD;5-Trifluorothymidine;NSC 529182;NSC 75520; Trifluridine, United States Pharmacopeia (USP) Reference Standard; 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; 1-((2R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75179	DB00432	DR00096	DR1643	296.2	C10H11F3N2O5	99.1	464	-0.5	20	3	8	2	"1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1"	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O	VSQQQLOSPVPRAZ-RRKCRQDMSA-N
DG00855	Amfepramone	7029	"DIETHYLPROPION; Amfepramone; Diethylpropione; Anorex; Tepanil; 90-84-6; Frekentine; Danylen; Magrene; Tylinal; alpha-Benzoyltriethylamine; Amfepramonum; Prefamone; Regenon; Diethylcathinone; Dobesin; alpha-Diethylaminopropiophenone; Anfepramona; 1-Propanone, 2-(diethylamino)-1-phenyl-; Amfepramonum [INN-Latin]; Anfepramona [INN-Spanish]; 2-(Diethylamino)propiophenone; Amfepramone [INN]; 2-(diethylamino)-1-phenylpropan-1-one; 1-Phenyl-2-diethylamino-1-propanone; 2-(Diethylamino)-1-phenyl-1-propanone; Tenuate; Amfepramon; DEA No. 1610; Propiophenone, 2-(diethylamino)-; Amfepramone (INN); Amphepramon; Amphepramone; Nopropiophenone; Adiposon; Neobes; Tenuate Dospan; Amphepramonum hydrochloride; Diethylpropione hydrochloride; Cegramine; Obesitex; Silutin; Derfon; Regenon hydrochloride; CHEBI:4530; Anfamon; Keramik; Keramin; Modulor; Parabolin; C06954; D07444; Tenuate hydrochloride; UR 1423; (+-)-diethylpropion; Diethylpropion (BAN); Fenyl-(1-diethylaminoethyl)keton [Czech]; Fenyl-(1-diethylaminoethyl)keton; HSDB 3059; NCGC00167475-01; EINECS 202-019-1; BRN 2804400; Anferpramon; 1-Phenyl-2-diethylaminopropanone-1 hydrochloride; Propiophenone, 2-(diethylamino)-, hydrochloride; Propiophenone, 2-diethylamino-; (+/-)-diethylpropion; .alpha.-benzoyltriethylamine; SCHEMBL27330; 4-14-00-00144 (Beilstein Handbook Reference); GTPL7161; CHEMBL1194666; DTXSID6022929; MFCD00056154; AKOS025401369; DIETHYLPROPION, DONYLEN,DOBESIN; DB00937; J4.327C; MCULE-3905795013; 2-Diethylaminopropiophenone hydrochloride; AC-13099; 2-(Diethylamino)-1-phenyl-1-propanone #; 1-Phenyl-2-diethylamino-1-propanone hydrochloride; Q2356505; BRD-A37288617-003-01-4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4530	.	DR01090	.	205.3	C13H19NO	20.3	193	2.8	15	0	2	5	"1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3"	CCN(CC)C(C)C(=O)C1=CC=CC=C1	XXEPPPIWZFICOJ-UHFFFAOYSA-N
DG00859	Chymopapain	9001	"TIRON; Tiferron; 149-45-1; Disodium 4,5-dihydroxybenzene-1,3-disulfonate; Sodium catechol sulfate; 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt; Sodium 4,5-dihydroxybenzene-1,3-disulfonate; 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt; UNII-4X87R5T106; 3,5-Disulfocatechol disodium salt; Sodium pyrocatechol-3,5-disulfonate; Disodium pyrocatechol-3,5-disulfonate; Sodium 1,2-dihydroxybenzenedisulfonate; Dihydroxy benzene disulfonate disodium salt; Disodium 4,5-dihydroxy-m-benzenedisulfonate; Sodium 1,2-dihydroxy-3,5-benzenedisulfonate; CHEBI:9607; Catechol-3,5-disulfonic Acid Disodium Salt; Disodium 1,2-dihydroxybenzene-3,5-disulfonate; Disodium 4,5-dihydroxybenzene-1,3-disulphonate; Disodium 4,5-dihydroxy-1,3-benzenedisulfonate; 4,5-Dihydroxy-m-benzenedisulfonic acid disodium salt; 4X87R5T106; CHYMOPAPAIN; m-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt; 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2); SDD; EINECS 205-741-5; NSC 12861; Pyrocatechol-3,5-disulfonic acid disodium salt; Tiron (1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt); Tiron, p.a. 99%; DSSTox_CID_23950; DSSTox_RID_80093; DSSTox_GSID_43950; SCHEMBL22220; CHEMBL110526; DTXSID7043950; AMY37894; Tox21_302148; MFCD00007473; AKOS002248727; AKOS015913779; NCGC00255944-01; CAS-149-45-1; CS-0010164; D0567; Q2436330; W-108084; 4,5-Dihydroxy-1,3-benzenedisulfonic acid, Disodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9607	.	.	.	314.2	C6H4Na2O8S2	172	413	.	18	2	8	0	"1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2"	C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]	ISWQCIVKKSOKNN-UHFFFAOYSA-L
DG00861	Nandrolone	9904	"Nandrolone; 19-Nortestosterone; 434-22-0; 19-Norandrostenolone; Nortestosterone; 17beta-Hydroxy-4-estren-3-one; 4-Estren-17beta-ol-3-one; Nortestosteronum; Nandrolon; Norandrostenolone; Nortestonate; Menidrabol; Nandrolona; Nandrolonum; Oestrenolon; Norandrostenolon; 17beta-Hydroxy-19-nor-4-androsten-3-one; 17beta-hydroxyestr-4-en-3-one; (17beta)-17-hydroxyestr-4-en-3-one; 17-beta-Hydroestr-4-en-3-one; (17-beta)-17-Hydroxyestr-4-en-3-one; UNII-6PG9VR430D; (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one; CHEMBL757; 6PG9VR430D; CHEBI:7466; Estr-4-en-3-one, 17-hydroxy-, (17b)-; NSC 3351; NCGC00159416-02; U 2410; DSSTox_CID_3350; (+)-19-Nortestosterone; DSSTox_RID_76987; DSSTox_GSID_23350; Nandrolonum [INN-Latin]; Nandrolona [INN-Spanish]; decadura (TN); CAS-434-22-0; Nandrolone (INN); SMR000058610; HSDB 3368; Nandrolone [INN:BAN]; EINECS 207-101-0; Estr-4-en-3-one, 17-hydroxy-, (17beta)-; Estr-4-en-3-one, 17beta-hydroxy-; NSC-3351; Nandrolone Base; Nandrolone cIII; NCGC00164479-01; 19-nor-testosterone; Estr-4-en-3-one, 17-beta-hydroxy-; 17.beta.-Nandrolone; Nandrolone Decanoic acid; Estr-4-en-3-one, 17-hydroxy-, (17.beta.)-; enta[a]phenanthren-3-one; 17.beta.-Nortestosterone; EC 207-101-0; SCHEMBL20140; MLS001423989; MLS002222325; Nandrolone(19-nortestosterone); GTPL6949; DTXSID7023350; Deca-Durabolin (decanoate ester); Durabolin (phenylpropionate ester); HMS2051I04; HMS2098E05; HMS2272P06; HMS3715E05; ZINC3814379; Tox21_113167; Tox21_113199; Tox21_201212; BDBM50080092; LMST02010044; AKOS015894933; Nandrolone 1.0 mg/ml in Acetonitrile; Tox21_113167_1; CCG-100835; CS-1416; DB13169; GS-6819; NC00085; NCGC00159416-03; NCGC00159416-04; NCGC00258764-01; (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; AC-15207; AC-30575; CPD000058610; HY-17432; 19-Nortestosterone, >=99.0% (HPLC); Estr-4-en-3-one, 17beta-hydroxy- (8CI); C07254; D08250; Nandrolone, VETRANAL(TM), analytical standard; 434N220; Q421709; SR-01000781257; SR-01000781257-3; W-106227; Estr-4-en-3-one, 17-hydroxy-, (17beta)- (9CI); Estr-4-en-3-one, 17-hydroxy-, (17-beta)- (9CI); Nandrolone, British Pharmacopoeia (BP) Reference Standard; Nandrolone, United States Pharmacopeia (USP) Reference Standard; (1S,2R,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop; (8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-Methyl-17-Oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1~{h}-Cyclopenta[a]phenanthren-3-One; (8R,10R,13S,17S)-17-Hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one; 6VW; Nandrolone solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7466	DB13169	DR00854	DR1129	274.4	C18H26O2	37.3	466	2.6	20	1	2	0	"1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34	NPAGDVCDWIYMMC-IZPLOLCNSA-N
DG00863	Lucanthone	10180	"LUCANTHONE; 479-50-5; Lucanthon; Lucanthonum; Lucantona; Lucanthonum [INN-Latin]; Lucantona [INN-Spanish]; 1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one; 1-{[2-(Diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one; UNII-FC6D57000M; CHEBI:51052; 1-((2-(diethylamino)ethyl)amino)-4-methyl-9H-thioxanthen-9-one; FC6D57000M; Lucanthone [INN:BAN]; 1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone; 1-diethylaminoethylethylamino-4-methyl-thioxanthenone; 1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one; NSC14574; CCRIS 1106; EINECS 207-532-4; BRN 0312369; AI3-16160; NCIMech_000830; SCHEMBL9156; 5-18-11-00503 (Beilstein Handbook Reference); CHEMBL279014; DTXSID6023230; HY-B2098; Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-; ZINC3831012; 9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-; BDBM50030282; CCG-35817; s6471; CS-6665; DB04967; BS-49111; NCI60_000988; 479L505; Q6696022; 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one; 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:51052	DB04967	.	.	340.5	C20H24N2OS	57.6	426	4	24	1	4	6	"1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3"	CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O	FBQPGGIHOFZRGH-UHFFFAOYSA-N
DG00868	Methamphetamine	10836	"METHAMPHETAMINE; Metamfetamine; d-Methamphetamine; d-Deoxyephedrine; d-Desoxyephedrine; Metamphetamine; Methylamphetamine; d-N-Methylamphetamine; d-Methylamphetamine; d-Phenylisopropylmethylamine; N-Methylamphetamine; (S)-Methamphetamine; Norodin; (+)-Methylamphetamine; d-(S)-Methamphetamine; D-1-Phenyl-2-methylaminopropane; Desyphed; (+)-N-Methylamphetamine; (S)-Methylamphetamine; (+)-(S)-Deoxyephedrine; Methyl-beta-phenylisopropylamine; 537-46-2; 1-Phenyl-2-methylaminopropane; (S)-(+)-Deoxyephedrine; Metamfetamina; Metamfetaminum; (2S)-N-methyl-1-phenylpropan-2-amine; (+)-methamphetamine; Metanfetamina; S-(+)-Methamphetamine; (S)-N,alpha-Dimethylbenzeneethanamine; D-N,alpha-dimethylphenethylamine; Metamfetaminum [INN-Latin]; Metamfetamina [INN-Spanish]; Metanfetamina [INN-Spanish]; Methamphetaminum [INN-Latin]; (+)-2-(N-Methylamino)-1-phenylpropane; Meth; Metamfetamine [INN]; N-Methyl-beta-phenylisopropylamine; 1-Phenyl-2-methylamino-propan [German]; (+)-N,alpha-Dimethylphenethylamine; d-1-Phenyl-2-methylaminopropan [German]; (+)-N,alpha-Dimethyl-beta-phenylethylamine; D-1-Phenyl-2-methylaminopropan; 2S-(+)-Methamphetamine; dextromethamphetamine; (S)-(+)-Methamphetamine; (+)-(S)-N-alpha-Dimethylphenethylamine; N-Methyl-beta-phenylisopropylamin [German]; NSC 25115; (S)-N,alpha-Dimethylbenzeneethanoamine; UNII-44RAL3456C; CHEBI:6809; (S)-(+)-N,alpha,dimethylphenethylamine; Metamfetamine (INN); (alphaS)-N,alpha-dimethylbenzeneethanamine; Benzeneethanamine, N,alpha-dimethyl-, (S)-; Methyl-.beta.-phenylisopropylamine; d-N,.alpha.-Dimethylphenethylamine; Stimulex; Speed; 44RAL3456C; Benzeneethanamine, N,alpha-dimethyl-, (alphaS)-; 1-Phenyl-2-methylamino-propan; NSC-25115; N-Methyl-beta-phenylisopropylamin; Crank; Methamphetaminum; Methamphetaminum [JP]; Crystal Meth; Metamfetaminum [Latin]; Metanfetamina [Spanish]; Meth (Street Name); ICE [Street Name]; Crank [Street Name]; Speed [Street Name]; Crystal Meth [Street Name]; HSDB 3359; N-Methyl-1-phenyl-2-propanamine; (+ )-Methylamphetamine; EINECS 208-668-7; Phenethylamine, N,alpha-dimethyl-, (+)-; Benzeneethanamine, N,alpha-dimethyl-, (+)-; DEA No. 1105; B40; Benzeneethanamine, N,.alpha.-dimethyl-, (S)-; Methamphetamine, its salts, isomers, and salts of its isomers; Phenethylamine, N,.alpha.-dimethyl-, (S)-(+)-; Epitope ID:178090; intra-venous methamphetamine; Phenethylamine, N,alpha-dimethyl-, (S)-(+)-; (s)-phenylmethylaminopropane; Benzeneethanamine,.alpha.-dimethyl-, (S)-; d-N,a-dimethylphenethylamine; SCHEMBL42615; Phenethylamine,.alpha.-dimethyl-, (S)-(+)-; CHEMBL1201201; DTXSID8037128; WLN: 1MY1&1R -D; N,I+/--Dimethyl-phenethyl amine; Desyphed hydrochloride (Salt/Mix); NSC25115; ZINC6021043; N-Methyl-1-phenyl-2-propanamine #; BDBM50359499; PDSP1_001404; PDSP1_001405; PDSP2_001388; PDSP2_001389; (+)-N,.alpha.-Dimethylphenethylamine; (S)-N-methyl-1-phenylpropan-2-amine; DB01577; J6.362B; Desoxyephedrine hydrochloride (Salt/Mix); methyl[(2S)-1-phenylpropan-2-yl]amine; Phenethylamine,.alpha.-dimethyl-, (+)-; (+)-(S)-N-.alpha.-Dimethylphenethylamine; Benzeneethanamine,.alpha.-dimethyl-, (+)-; Phenethylamine, N,.alpha.-dimethyl-, (+)-; Benzeneethanamine, N,.alpha.-dimethyl-, (+)-; C07164; D08187; (+)-N,.alpha.-Dimethyl-.beta.-phenylethylamine; Q191924; Phenethylamine, N,alpha-dimethyl-, (S)-(+)- (8CI); Benzeneethanamine, N,alpha-dimethyl-, (alphaS)- (9CI); UNII-13ZT6YG5SD component MYWUZJCMWCOHBA-VIFPVBQESA-N; (+)-N,.alpha.-Dimethylphenethylamine hydrochloride (Salt/Mix); S(+)-Methamphetamine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6809	.	DR00256	DR1036	149.23	C10H15N	12	95	2.1	11	1	1	3	"1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1"	C[C@@H](CC1=CC=CC=C1)NC	MYWUZJCMWCOHBA-VIFPVBQESA-N
DG00869	Acetylcysteine	12035	"N-Acetyl-L-cysteine; acetylcysteine; 616-91-1; N-Acetylcysteine; mercapturic acid; Acetadote; L-Acetylcysteine; Broncholysin; Mucomyst; N-Acetyl-cysteine; Fluimucil; Parvolex; Fluimucetin; Fluprowit; Acetein; Airbron; Fabrol; Flumucetin; Mucosolvin; Mucosil; Respaire; Brunac; Fluimicil Infantil; Acetilcisteina; Acetylcysteinum; Lysomucil; Mucofilin; Exomuc; Inspir; Ac-Cys-OH; Mucolyticum Lappe; Mucolytikum Lappe; (R)-2-Acetamido-3-mercaptopropanoic acid; Acetyl-L-cysteine; N-Acetyl cysteine; Mucolyticum; LNAC; Syntemucol; acetyl cysteine; N-Acetyl-3-mercaptoalanine; Tixair; N-Acetyl-L-(+)-cysteine; Neo-fluimucil; NAC-TB; (2R)-2-acetamido-3-sulfanylpropanoic acid; component of Naxid; Mercapturic acid, (R)-; Cysteine, N-acetyl-, L-; cysteine, N-acetyl-; L-Cysteine, N-acetyl-; (R)-mercapturic acid; Fluatox; Mucolator; Mucret; UNII-WYQ7N0BPYC; (2R)-2-Acetamido-3-sulfanyl-propanoic acid; L-alpha-Acetamido-beta-mercaptopropionic acid; NSC 111180; Mucolyticum-Lappe; WYQ7N0BPYC; MFCD00004880; MLS000028419; CHEBI:28939; NSC-111180; RK-0202; NCGC00022304-05; N-Acetyl-L-cysteine hydrochloride; SMR000058377; DSSTox_CID_21; (R)-2-acetylamino-3-mercaptopropanoic acid; (2R)-2-acetylamino-3-sulfanylpropanoic acid; DSSTox_RID_75324; DSSTox_GSID_20021; Cetylev; Flumil; Ilube; N-acetylcystein; Muco sanigen; MUCOSIL-10; MUCOSIL-20; Acetylcysteinum [INN-Latin]; CAS-616-91-1; Acetilcisteina [INN-Spanish]; CCRIS 3764; HSDB 3003; SR-01000075439; EINECS 210-498-3; Fluimicil; Mucocedyl; Oristar nalc; AcCys; NSC111180; N-acetyl-l-cys; Sodium 2-acetamido-3-mercaptopropionate; SC2; Ilube (eye drops); N-A-C Sustain; N-acetyl-L-cystein; N-acetyi-l-cysteine; Naxid (Salt/Mix); N-Acety-L-Cysteine; Acetyl Cysteine,(S); Acetylcysteine [USAN:USP:INN:BAN:JAN]; N-acetyl-(R)-cysteine; Opera_ID_452; MUCOMYST (TN); Acetylcysteine Ph. Eur.; Spectrum2_000086; Spectrum3_000287; Spectrum4_000137; Spectrum5_000764; CHEMBL600; NAC & TNF; SCHEMBL5292; (2R)-2-(acetylamino)-3-sulfanylpropanoic acid; Lopac0_000081; BSPBio_001794; KBioGR_000554; MLS001076125; MLS006011563; SPECTRUM1500105; SPBio_000012; Acetylcysteine(N-acetylcysteine); DTXSID5020021; GTPL10945; KBio3_001294; N-Acetyl-L-cysteine, USP grade; Acetylcysteine (JP17/USP/INN); HMS1920A11; HMS2091G11; HMS2234J22; HMS3260A04; HMS3655G11; HMS3715D03; HMS3884E04; HY-B0215; ZINC3589203; 2-Acetylamino-3-mercapto-propionate; Tox21_110877; Tox21_201078; Tox21_500081; acetylcysteine (n-acetyl-l-cysteine); BDBM50420190; CCG-38902; s1623; AKOS015841009; Tox21_110877_1; CCG-204176; DB06151; GS-3121; LP00081; SDCCGSBI-0050069.P002; NCGC00015086-04; NCGC00022304-03; NCGC00022304-04; NCGC00022304-06; NCGC00022304-07; NCGC00022304-08; NCGC00022304-17; NCGC00022304-23; NCGC00258631-01; NCGC00260766-01; AC-16071; AC-24117; BP-12854; I630; SBI-0051272.P003; DB-038288; A0905; AM20100502; EU-0100081; SW199597-2; (2R)-2-acetylamino-3-mercapto-propionic acid; EN300-72028; 16A911; A 7250; A-1100; C06809; D00221; L-Cysteine, N-acetyl- & Tumor necrosis factor; N-Acetyl-L-cysteine, BioXtra, >=99% (TLC); AB00051908_02; AB00382974-12; AB00382974_13; L-.alpha.-Acetamido-.beta.-mercaptopropionic acid; Q375613; J-507685; N-Acetyl-L-cysteine & Tumor necrosis factor (TNF); N-Acetyl-L-cysteine 100 microg/mL in Acetonitrile; SR-01000075439-1; SR-01000075439-3; SR-01000075439-5; BRD-K59058747-001-20-9; N-Acetyl-L-cysteine, cell culture tested, BioReagent; N-Acetyl-L-cysteine, Vetec(TM) reagent grade, 98%; F1905-7178; CABC898A-E48B-4E13-9F72-98D0609A1854; N-Acetyl-L-cysteine, SAJ special grade, 98.0-102.0%; N-Acetyl-L-cysteine, Sigma Grade, >=99% (TLC), powder; UNII-2SPH1IMO2V component PWKSKIMOESPYIA-BYPYZUCNSA-N; Acetylcysteine, British Pharmacopoeia (BP) Reference Standard; Acetylcysteine, European Pharmacopoeia (EP) Reference Standard; Acetylcysteine, United States Pharmacopeia (USP) Reference Standard; N-Acetyl-L-cysteine, Pharmaceutical Secondary Standard; Certified Reference Material; N-Acetyl-L-cysteine, PharmaGrade, Ajinomoto, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, suitable for cell culture"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB06151	.	.	163.2	C5H9NO3S	67.4	148	0.4	10	3	4	3	"1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1"	CC(=O)N[C@@H](CS)C(=O)O	PWKSKIMOESPYIA-BYPYZUCNSA-N
DG00872	Citicoline	13804	"Citicoline; cytidine 5'-diphosphocholine; CDP-choline; 987-78-0; citicholine; cytidine diphosphate choline; Citidoline; Cytidoline; Difosfocin; Cyscholin; Citicolinum; Citicolina; CDP-colina; cyticholine; Cytidine 5'-diphosphoric choline; Haocolin; Nicholin; Niticolin; Recofnan; Recognan; Somazina; Suncholin; Colite; Ensign; Cytidindiphosphocholin; Cytidine 5'-(choline diphosphate); Cytidine 5'-(cholinyl pyrophosphate); Cytidine diphosphocholine; Cytidine diphosphorylcholine; Choline cytidine diphosphate; Cytidine choline diphosphate; citidin difosfato de colina; Emicholin; Meibis; Choline 5'-cytidine diphosphate; CDP-cholin; Cereb; Cytidine 5'-diphosphate choline; Cytidine diphosphate choline ester; Cytidinediphosphoric choline; [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM; UNII-536BQ2JVC7; Cytidine 5'-(trihydrogen diphosphate), P'-(2-(trimethylammonio)ethyl) ester, inner salt; IP 302; IP-302; Choline cytidine 5'-pyrophosphate ester; Choline, ester with cytidine 5'-pyrophosphate; CDP-cholin [German]; CDP-colina [Spanish]; Startonyl; Ubelin; Citicoline [INN:JAN]; Citicolinum [INN-Latin]; Citicolina [INN-Spanish]; 536BQ2JVC7; CHEBI:16436; 2-(((((((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)-N,N,N-trimethylethanaminium; Cytidindiphosphocholin [German]; Cytidine diphosphate cholin ester; C14H26N4O11P2; EINECS 213-580-7; Citidin difosfato de colina [Spanish]; Cytidine 5-diphosphocholine; NSC 122002; BRN 4170138; Cytidine, 5'-pyrophosphate, ester with choline; Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl] ester, inner salt; Nicholin (TN); Citicoline (JP17/INN); cytidine diphosphate-choline; CDP-choline (neutral charge); SCHEMBL221081; AOB5033; MFCD00868097; AKOS025312525; CCG-269597; DB04290; DB12153; Choline, hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt; Cytidine 5'-(trihydrogen diphosphate), mono(2-(trimethylammonio)ethyl) ester, hydroxide, inner salt; K771; C00307; D00057; D81851; A847982; W-100063; Q28529682; 5'-O-[(S)-hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine; 5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine; Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl]ester, inner salt; {2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]ethyl}trimethylazanium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16436	.	.	DR2077	488.32	C14H26N4O11P2	214	821	-4	31	4	11	10	"1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1"	C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	RZZPDXZPRHQOCG-OJAKKHQRSA-N
DG00876	Abametapir	15664	"5,5'-Dimethyl-2,2'-bipyridine; 1762-34-1; Abametapir; 6,6'-Bi-3-picoline; 5,5'-Dimethyl-2,2'-bipyridyl; 5,5'-Dimethyl-2,2'-dipyridyl; 2,2'-BIPYRIDINE, 5,5'-DIMETHYL-; HA-44; BRN 0123183; 6,6'-Di-3-picolyl; 6,6'-Di-3-picoline; UNII-6UO390AMFB; 5-methyl-2-(5-methylpyridin-2-yl)pyridine; 6UO390AMFB; CHEMBL2205807; 5,5'-dimethyl-2,2'-bipyridinyl; MFCD01740554; Xeglyze; Abametapir [USAN:INN]; Xeglyze(Abametapir); Xeglyze (TN); Abametapir (USAN/INN); SCHEMBL351152; HA44; YSSJ3184; 2,2 -Bis-(5-methylpyridyl); 2,2'dimethyl-5,5'-dipyridyl; 5,5'dimethyl-2,2'-dipyridyl; DTXSID00170095; ZINC403335; 9238AA; BDBM50401351; LT0042; s5752; 5,5''-Dimethyl-2,2''-bipyridine; AKOS005257775; CS-W004546; DB11932; HY-W004546; MCULE-8581798506; SB17220; 5,5'-Dimethyl-2,2'-dipyridyl, 98%; DS-15219; SY052805; FT-0689891; D10687; D70523; W-108621; Q27265547; 5,5 inverted exclamation mark -Dimethyl-2,2 inverted exclamation mark -bipyridyl"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB11932	.	.	184.24	C12H12N2	25.8	161	2.2	14	0	2	1	"1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3"	CC1=CN=C(C=C1)C2=NC=C(C=C2)C	PTRATZCAGVBFIQ-UHFFFAOYSA-N
DG00880	Doxifluridine	18343	"Doxifluridine; 5'-Deoxy-5-fluorouridine; 5-fluoro-5'-deoxyuridine; Furtulon; 3094-09-5; 5'-Dfur; Flutron; Uridine, 5'-deoxy-5-fluoro-; Doxifluridina; Doxifluridinum; Ro 21-9738; Ro 219738; 5'dFUrd; 1-(beta-D-5-Desoxyribofuranoxyl)-5-fluoruracil; UNII-V1JK16Y2JP; CHEMBL1130; V1JK16Y2JP; Capecitabine related compound b; 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione; CHEBI:31521; NCGC00093926-03; Doxifluridine (5-Fluoro-5'-deoxyuridine); DSSTox_CID_2967; 5'FDUR; DSSTox_RID_76809; DSSTox_GSID_22967; 5'-Doxifluridine; 5'-dFUrd; Furtulon (TN); 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione; SMR000326811; CAS-3094-09-5; Uridine-5'-deoxy-5-fluoro-; SR-01000075886; Doxifluridine [INN:JAN]; 5-DFUR; Doxifluridinum [INN-Latin]; Doxifluridina [INN-Spanish]; Fulturon; MFCD00866530; NSC-758890; EINECS 221-440-1; 5-Deoxy-5-fluorouridine; 5-Fluoro-5`-deoxyuridine; SCHEMBL8094; Doxifluridine (JP17/INN); Lopac0_000537; MLS001332579; MLS001332580; MLS002172440; MLS002207077; DTXSID2022967; HMS2090C22; HMS2231I05; HMS3261L15; AMC 0101; AMY13408; HY-B0021; ZINC1319177; Tox21_111231; Tox21_500537; BDBM50132295; s2045; CAPECITABINE IMPURITY B (USP); AKOS015852921; AKOS015896821; Tox21_111231_1; CCG-204627; CS-1270; DB12947; KS-5065; LP00537; NSC 758890; SDCCGSBI-0050520.P002; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione; NCGC00093926-01; NCGC00093926-02; NCGC00093926-05; NCGC00093926-11; NCGC00261222-01; Ro-21-9738; SRI-11552-08; SRI-11552_09; 5''-Deoxy-5-Fluorouridine (5''-Dfur); RO-219738; EU-0100537; D01309; F 8791; 094F095; Q1253473; SR-01000075886-1; SR-01000075886-5; 5'-DFUR (5'-Deoxy-5-fluorouridine, Doxifluridine); BRD-K58262659-001-09-7; Capecitabine impurity B, European Pharmacopoeia (EP) Reference Standard; Capecitabine Related Compound B, United States Pharmacopeia (USP) Reference Standard; 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione; 1-((2R,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione; 1-((4S,2R,3R,5R)-3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,3-dihydropyrimidine-2,4-dione; 1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione (5'-Deoxy-5-fluorouridine)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31521	DB12947	.	.	246.19	C9H11FN2O5	99.1	399	-1.7	17	3	6	1	"1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1"	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O	ZWAOHEXOSAUJHY-ZIYNGMLESA-N
DG00882	Cephaloglycin	19150	"Cefaloglycin; CEPHALOGLYCIN; Cephaloglycine; D-Cephaloglycine; Cephaoglycin acid; 3577-01-3; Cefaloglycine; Cephaloglycin anhydrous; Cefaloglicina; Cefaloglycinum; D-(-)-Cephaloglycin; 7-(D-alpha-Aminophenyl-acetamido)cephalosporanic acid; 7-(2-D-alpha-Aminophenylacetamido)cephalosporanic acid; CHEBI:34613; Kefglycin; CEG; Cephaloglycin dihydrate; UNII-HD2D469W6U; HD2D469W6U; (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup3)-cephem-4-carboxylic acid; Cefaloglycine [INN-French]; Cefaloglycinum [INN-Latin]; Cefaloglicina [INN-Spanish]; Lilly 39435; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[(2R)-aminophenylacetyl]amino]-8-oxo-,(6R,7R)-; Cefaloglycin (JAN); Kefocin; HSDB 3214; EINECS 222-696-7; Cefaloglycin [INN]; Cefaloglycin dihydrate; Cephaloglycin anhdyous; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate (ester); Epitope ID:174844; SCHEMBL2947; 7-(D-2-Amino-2-phenylacetamido)-3-acetoxymethyl-delta(sup 3)-cephem-4-carboxylic acid; 3-((Acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((aminophenylacetyl)amino)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7-(2-Amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, acetate inner salt; CHEMBL1200971; DTXSID4022781; ZINC3830503; DB00689; 3-acetoxymethyl-7beta-[(2R)-2-amino-2-phenylacetamido]-3,4-didehydrocepham-4-carboxylic acid; NCGC00521078-02; (6R,7R)-3-(acetoxymethyl)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2R)-2-amino-2-phenylacetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), D-; HY-16137; CS-0006156; D01949; Q5057214; (6R,7R)-3-[(acetyloxy)methyl]-7-[(2R)-2-amino-2-phenylacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34613	DB00689	DR01373	.	405.4	C18H19N3O6S	164	718	-3	28	3	8	7	"1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O	FUBBGQLTSCSAON-PBFPGSCMSA-N
DG00884	Beclomethasone	20469	"Beclomethasone; Beclometasone; 4419-39-0; Beclomethasone Solution; Beclometasona; Beclometasonum; UNII-KGZ1SLC28Z; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; MLS000028668; KGZ1SLC28Z; SMR000058899; CHEBI:3001; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9alpha-Chloro-16beta-methylprednisolone; NCGC00164402-01; DSSTox_CID_20750; DSSTox_RID_79587; DSSTox_GSID_40750; Beclometasonum [INN-Latin]; Beclometasona [INN-Spanish]; (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; CAS-4419-39-0; BMJ 5800; EINECS 224-585-9; Beclometasone [INN:BAN]; pulvinal; 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione (Beclometasone); Beclometason (TN); Beclometasone (INN); Opera_ID_1081; SCHEMBL3183; CHEMBL1586; cid_20469; MLS001076089; BIDD:GT0556; GTPL7059; DTXSID5040750; BCBcMAP01_000159; BDBM53488; AMY7469; 9alpha-Chloro-16beta-methyl-1,4-pregnadiene-11beta,17alpha,21-triol-3,20-dione; HMS2233A18; EX-A4423; HY-B1540; ZINC4097285; Tox21_112116; 8060AH; MFCD00135614; AKOS037645177; Tox21_112116_1; CS-5872; Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-; SMP1_000039; NCGC00179392-03; AS-58067; C06842; D07495; A905224; SR-01000000273; SR-01000000273-4; Beclometasone. Short expiry date due to chemical nature of component(s); 9alpha-Chloro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione,9-chloro-11,17,21-trihydroxy-16-methyl-, (11b,16b)-; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Beclometasone; (1R,2S,10S,11S,13S,14R,15S,17S)-1-Chloro-14-(2-glycoloyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one; GXR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3001	.	DR01368	.	408.9	C22H29ClO5	94.8	805	2.2	28	3	5	2	"1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C	NBMKJKDGKREAPL-DVTGEIKXSA-N
DG00892	Xipamide	26618	"XIPAMIDE; 14293-44-8; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide; Diurexan; Xipamid; Aquaphor; Diurex (lacer); Aquaphor (diuretic); UNII-4S9EY0NUEC; Be 1293; C15H15ClN2O4S; MJF 10,938; Benzamide, 5-(aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-; 4-Chloro-5-sulfamoyl-2',6'-salicyloxylidide; MJF-10938; 4S9EY0NUEC; 2',6'-Salicyloxylidide, 4-chloro-5-sulfamoyl-; BE-1293; 4-Chlor-5-sulfamoyl-2',6'-salicyloxylidid; NCGC00182543-01; Aquaphoril; Zipix; Aquaphor(tm), original formula ointment base; DSSTox_CID_3744; DSSTox_RID_77179; DSSTox_GSID_23744; Chronexan; Xipamida; Xipamidum; Xipamidum [INN-Latin]; Xipamida [INN-Spanish]; Xipamide [USAN:INN:BAN]; CAS-14293-44-8; EINECS 238-216-4; MJF 10938; BRN 2778357; Lumitens; Xipamide (USAN); 4-Chlor-5-sulfamoyl-2',6'-salicyloxylidid [German]; SCHEMBL43532; CHEMBL517199; GTPL7900; DTXSID5023744; CHEBI:135499; ZINC538538; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoyl-benzamide; BEI-1293; Tox21_112975; 5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide; AC-911; MFCD00865927; s5076; AKOS015889012; Tox21_112975_1; CCG-268092; CS-W023041; DB13803; DS-1401; HY-W042301; NCGC00182543-02; FT-0659690; FT-0675876; 4-Chloro-5-sulfamoyl-2',6'-salicyloxilidide; D06341; 293X448; A807988; Q600951; Q-201936; 4-Chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulphamoylbenzamide; 4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoyl-benzamide;Xipamide; 5-(Aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxybenzamide #; Benzamide,5-(aminosulfonyl)-4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135499	.	.	.	354.8	C15H15ClN2O4S	118	526	2.9	23	3	5	3	"1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)"	CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N	MTZBBNMLMNBNJL-UHFFFAOYSA-N
DG00897	Carbimazole	31072	"Carbimazole; 22232-54-8; Athyromazole; Carbimazol; Neomercazole; Carbethoxymethimazole; Carbinazole; Neo-Thyreostat; Basolest; Thyrostat; Carbimazolum; TYRAZOL; Carbimazolum [INN-Latin]; Ethyl 3-methyl-2-thioimidazoline-1-carboxylate; Carbimazol [INN-Spanish, French]; 1-Ethoxycarbonyl-3-methyl-2-thioxo-4-imidazoline; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate; 1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, ethyl ester; UNII-8KQ660G60G; Neo-Mercazole; CHEBI:617099; Atirozidina; Carbotiroid; Mertiran; CG1; 3-Methyl-2-thioxo-4-imidazoline-1-carboxylic acid ethyl ester; 4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester; Carbimazol spofa; Neo-Tireol; ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate; CHEMBL508102; 8KQ660G60G; Ethyl 3-methyl-2-thionoimidazoline-1-carboxylate; MFCD00027421; NSC-758966; NCGC00016760-01; CAS-22232-54-8; DSSTox_CID_2736; DSSTox_RID_76708; DSSTox_GSID_22736; Carbimazole [INN:BAN:DCF]; Carbimazol henning; Carbimazole (INN); 1-Ethoxycarbonyl-3-methyl-2-thioimidazol; SR-01000872660; Carbimazol henning (TN); EINECS 244-854-4; BRN 0144339; Prestwick_788; 1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo, ethyl ester; Fenobucarb Bassa BPMC; Prestwick0_000439; Prestwick1_000439; Prestwick2_000439; Prestwick3_000439; Spectrum2_001251; Spectrum3_001968; 3-methyl-1-ethoxycarbonylimidazoline-2-thione; Epitope ID:116890; SCHEMBL44211; BSPBio_000458; BSPBio_003568; 4-24-00-00064 (Beilstein Handbook Reference); MLS004734638; SPECTRUM1505323; SPBio_001182; SPBio_002397; BPBio1_000504; ZINC1091; DTXSID9022736; KBio3_002918; HMS1569G20; HMS1922D12; HMS2096G20; HMS3652G04; HMS3713G20; Pharmakon1600-01505323; BCP12935; HY-B0558; Tox21_110596; Tox21_302320; BDBM50275889; CCG-39106; ethyl 3-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxylate; NSC758966; s4048; AKOS001647527; Tox21_110596_1; AC-8348; AM84794; DB00389; MCULE-1170558032; NSC 758966; NCGC00016760-02; NCGC00016760-03; NCGC00016760-04; NCGC00016760-05; NCGC00016760-08; NCGC00095167-01; NCGC00095167-02; NCGC00177988-01; NCGC00177988-02; NCGC00255133-01; AS-13267; BE164282; H765; SMR001233183; SBI-0207026.P001; FT-0602919; SW196926-3; A16427; C07615; C74138; D07616; A816030; Q414013; SR-01000872660-1; SR-01000872660-2; W-107493; BRD-K87156652-001-05-1; BRD-K87156652-001-06-9; ethyl 3-methyl-2-thioxo-imidazole-1-carboxylate;Carbimazole; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate #; Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate, AldrichCPR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:617099	DB00389	.	.	186.23	C7H10N2O2S	64.9	240	0.7	12	0	3	2	"1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3"	CCOC(=O)N1C=CN(C1=S)C	CFOYWRHIYXMDOT-UHFFFAOYSA-N
DG00901	Benznidazole	31593	"BENZNIDAZOLE; 22994-85-0; Benznidazol; Radanil; Benzonidazole; Benznidazolum; Ro 07-1051; Rochagan; N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide; N-benzyl-2-(2-nitroimidazol-1-yl)acetamide; N-Benzyl-2-nitroimidazole-1-acetamide; N-Benzyl-2-nitroimidazol-1-yl-acetamide; 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide; N-Benzyl-2-nitro-1H-imidazole-1-acetamide; Ro 71051; 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-; UNII-YC42NRJ1ZD; Imidazole-1-acetamide, N-benzyl-2-nitro-; YC42NRJ1ZD; CHEMBL110; benzonidazol; MMV688773; NSC299972; NSC-299972; Ro-7-1051; NCGC00166238-01; Ro 07-1051;Ro 71051; DSSTox_CID_26570; DSSTox_RID_81729; DSSTox_GSID_46570; Benznidazol [INN-Spanish]; Benznidazolum [INN-Latin]; SMR000857153; NSC 299972; CAS-22994-85-0; CCRIS 2200; SR-01000841264; N-benzyl-2-nitro-1-imidazoleacetamide; BRN 0551486; Ragonil; Acetamide, N-benzyl-2-(nitroimidazol-1-yl)-; benznidazole (TN); Rochagan (TN); Radanil (TN); Benznidazole (USAN/INN); Benznidazole [USAN:INN]; SCHEMBL45081; MLS001332409; MLS001332410; MLS001360496; DTXSID9046570; SCHEMBL22493029; ZINC56949; CHEBI:133833; HMS2233G13; HMS3369C11; HY-B1548; Tox21_112364; BDBM50089916; MFCD00243089; s3741; AKOS015916722; AKOS024283499; Tox21_112364_1; CCG-267054; DB11989; MCULE-5592629788; NCGC00166238-02; AS-68694; QC-10765; CS-0013411; FT-0662547; RO-07-1051; Benznidazol (Ro 07-1051; Ro 71051); C74184; D02489; N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide; N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide; A912716; N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide; N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 97%; Q425300; 2-(2-nitroimidazol-1-yl)-N-(phenylmethyl)acetamide; J-014932; SR-01000841264-3; SR-01000841264-4; BRD-K56156805-001-05-4; 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)- (9CI); N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole); Pyridinium,1-dodecyl-2-[(hydroxyimino)methyl]-,iodide(1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133833	DB11989	.	.	260.25	C12H12N4O3	92.7	325	0.9	19	1	4	4	"1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)"	C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-]	CULUWZNBISUWAS-UHFFFAOYSA-N
DG00904	Amdinocillin	36273	"Mecillinam; AMDINOCILLIN; 32887-01-7; Penicillin HX; Coactin; Hexacillin; Mecillinamum; Mecilinamo; FL 1060; Ro 10-9070; Mecillinam (INN); UNII-V10579P3QZ; Selexidin; (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; V10579P3QZ; Mecillinam [INN]; (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; DSSTox_CID_2584; DSSTox_RID_76643; DSSTox_GSID_22584; Mecilinamo [INN-Spanish]; Mecillinamum [INN-Latin]; (2S,5R,6R)-6-{[(1E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 79580-20-4; SMR000466361; Coactin (TN); Ro 109070; CAS-32887-01-7; FL-1060; MICILLINAM; Amdinocillin (USAN); EINECS 251-277-1; 6-((Hexahydro-1H-azepin-1-yl)methyleneamino)penicillanic acid; Amdinocillin [USAN:USP]; (2S,5R,6R)-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; NCGC00164583-01; Ro-10-9070; CHEMBL530; SCHEMBL34387; SCHEMBL34388; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-; MLS000759478; MLS001424041; CHEMBL258646; DTXSID3022584; HMS2051E14; ACT03258; HY-A0269; ZINC3830206; Tox21_112209; MFCD00056869; s6584; ZINC12469558; Tox21_112209_1; CCG-100873; DB01163; FS-4354; NC00123; 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylic acid; NCGC00164583-02; NCGC00188988-01; AC-32602; CS-0017618; C21545; D02888; Mecillinam, VETRANAL(TM), analytical standard; AB01209740-01; BRD-K41051431-001-01-6; Q13019044; 6beta-{[(azepan-1-yl)methylidene]amino}-2,2-dimethylpenam-3alpha-carboxylic acid; (2S,5R,6R)-6-(((E)-Azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01163	.	.	325.4	C15H23N3O3S	98.5	500	2.1	22	1	5	3	"1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C	BWWVAEOLVKTZFQ-NTZNESFSSA-N
DG00912	Cefoperazone	44187	"Cefoperazone; 62893-19-0; Cefobid; Cefoperazono; Cefoperazonum; Medocef; Cefob; UNII-7U75I1278D; Cefoperazone (Cefobid); CHEBI:3493; Cefoperazine; MFCD00865067; 7U75I1278D; Cefobid (TN); Cefoperazonum [INN-Latin]; Cefoperazono [INN-Spanish]; 62893-20-3; (6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; Cefoperazone (sodium salt); Cefozon; (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; C25H27N9O8S2; 113826-44-1; Cefoperazone [INN:BAN]; Bioperazone; Cefoperazon; Myticef; Pathozone; Peracef; Cefoperazone,(S); EINECS 263-749-4; Cefoperazone (INN); BRN 0603333; CP 52640; Prestwick0_000327; Prestwick1_000327; Prestwick2_000327; Prestwick3_000327; Peracef [veterinary] (TN); SCHEMBL37056; BSPBio_000333; BIDD:GT0677; SPBio_002254; BPBio1_000367; CHEMBL507674; DTXSID2022759; GTPL12025; HMS2090M09; C25H31N9O10S2; HY-B0210; ZINC3830432; BDBM50390999; s1611; AKOS015895629; CCG-270325; DB01329; NCGC00179599-01; (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; AS-13298; H832; SW198793-3; Y0421; C-2485; C06883; D07645; 893C190; Cefoperazone, Antibiotic for Culture Media Use Only; Q2325775; BRD-K02292852-335-03-1; (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-; 7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid; sodium,(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3493	DB01329	.	.	645.7	C25H27N9O8S2	271	1250	-0.7	44	4	13	9	"1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1"	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	GCFBRXLSHGKWDP-XCGNWRKASA-N
DG00914	Butoconazole	47472	"Butoconazole; 64872-76-0; Butaconazole; Butoconazol; Butoconazolum; Butoconazol [INN-Spanish]; Butoconazolum [INN-Latin]; Gynazole-1; CHEBI:3240; NSC-758658; Butoconazole [INN:BAN]; C19H17Cl3N2S; Gynofort; MLS002153798; 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole; 1-[4-(4-Chloro-phenyl)-2-(2,6-dichloro-phenylsulfanyl)-butyl]-1H-imidazole; 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-; Gynofort (TN); Butoconazole (INN); MFCD00058159; SMR001233176; RS 35887-10-3; Prestwick0_000408; Prestwick1_000408; Prestwick2_000408; Prestwick3_000408; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanyl-butyl]imidazole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole; 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole; CHEMBL1295; SCHEMBL44237; BSPBio_000336; 67085-13-6; cid_47471; MLS006010743; SPBio_002275; BPBio1_000370; 1-[(2S)-4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanyl-butyl]imidazole; DTXSID2048537; BDBM79206; HY-B0293A; HMS3264E14; Pharmakon1600-01504140; ALBB-028967; AMY32540; BUTOCONAZOLE, Butoconazole Nitrate; (+-)-1-((4-(p-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)imidazole; NSC758658; s5359; AKOS015900067; CCG-213264; DB00639; NSC 758658; (+-)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole; 1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-; NCGC00179596-01; NCGC00179596-04; AC-15961; K049; SMR001550002; DB-054743; AB00513831; CS-0013455; FT-0630751; C08065; D07598; AB00513831-07; AB00513831_08; AB00513831_09; Butoconazole, VETRANAL(TM), analytical standard; 872B760; A834909; Q2928948; BRD-A16665823-001-01-2; BRD-A16665823-008-03-3; 1-(4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)butyl)-1H-imidazole; 1-[2-[(2,6-Dichlorophenyl)thio]-4-(4-chlorophenyl)butyl]-1H-imidazole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imid-azole; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)-n-butyl]-imidazole; (.+/-.)-1-[4-(p-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole; 1-(4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl)-1H-imidazole #; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (1)-; 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, nitrate (1:1)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3240	DB00639	.	.	411.8	C19H17Cl3N2S	43.1	383	6.4	25	0	2	7	"1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2"	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl	SWLMUYACZKCSHZ-UHFFFAOYSA-N
DG00916	Naftifine	47641	"Naftifine; 65472-88-0; Naftifin; Naftifinum; Naftifina; (E)-N-Cinnamyl-N-methyl-1-naphthalenemethylamine; UNII-4FB1TON47A; CHEMBL626; 4FB1TON47A; CHEBI:7451; (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine; Naftifine [INN:BAN]; Naftifina [INN-Spanish]; Naftifinum [INN-Latin]; Naftifine (INN); (E)-N-methyl-N-(1-naphthylmethyl)-3-phenyl-prop-2-en-1-amine; (E)-N-Cinnamyl-N-methyl-1-naphthylmethylamin; (E)-N-Cinnamyl-N-methyl-1-naphthalinmethylamin; Naft-500; Prestwick2_001063; Prestwick3_001063; SN 105-843; 1-Naphthalenemethanamine, N-methyl-N-(3-phenyl-2-propenyl)-, (E)-; SCHEMBL49141; BSPBio_001046; BPBio1_001152; SCHEMBL3692459; DTXSID6048545; CHEBI:93305; ZINC1530977; BDBM50170647; STL483692; AKOS025310693; N-Methyl-N-(1-naphthyl methyl)-3-phenyl-2-propen-1-amine(E), hydrochloride; NCGC00179332-01; AC-22577; AB00514711; C08071; D08245; AB00514711_07; AB00514711_08; 472N880; A934003; Q413586; trans-N-cinnamyl-N-methyl-(1-naphthylmethyl)amine; Methyl-naphthalen-1-ylmethyl-(3-phenyl-allyl)-amine; BRD-K43813806-003-01-0; BRD-K74141488-003-03-9; N-(3-Phenylallyl)-N-methylnaphthalene-1-methaneamine; Methyl-naphthalen-1-ylmethyl-((E)-3-phenyl-allyl)-amine; (2E)-N-methyl-N-(1-naphthylmethyl)-3-phenylprop-2-en-1-amine; (2E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7451	DB00735	.	.	287.4	C21H21N	3.2	342	5.1	22	0	1	5	"1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+"	CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32	OZGNYLLQHRPOBR-DHZHZOJOSA-N
DG00917	Triclabendazole	50248	"Triclabendazole; 68786-66-3; Fasinex; 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole; UNII-4784C8E03O; 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole; NVP-EGA230; CPD000466357; EGA230B; MLS001424101; CHEMBL1086440; CGA89317; 4784C8E03O; NSC-759250; NCGC00164610-01; Triclabendazol; SMR000466357; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)benzimidazole; Egaten; Triclabendazolum; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole; 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole; 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-(METHYLSULFANYL)-1H-1,3-BENZODIAZOLE; Triclabendazol [INN-Spanish]; Triclabendazolum [INN-Latin]; CCRIS 8988; CGA 89317; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole; 5-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole; 6-Chloro-5-(2,3-dichlorophenoxy)-2-methylthio-benzimidazole; Fasinex (TN); Egaten (TN); 1H-BENZIMIDAZOLE, 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-(METHYLTHIO)-; DSSTox_CID_23952; DSSTox_RID_80094; DSSTox_GSID_43952; Oprea1_236106; Triclabendazole (USAN/INN); cid_50248; MLS000759473; MLS000876812; SCHEMBL165712; DTXSID7043952; BDBM58491; CHEBI:94759; Triclabendazole [USAN:INN:BAN]; HMS2051E16; HMS2232D14; HMS3370H02; HMS3393E16; HMS3652M16; HMS3715P16; HMS3744I09; KUC103451N; Pharmakon1600-01505786; HY-B0621; ZINC1444556; Tox21_112231; 5-Chloro-6-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole; CGA-89317; MFCD00864519; NSC759250; s4114; STK332284; AKOS005439340; AKOS015950804; AC-7627; AT10531; CCG-100881; CCG-268150; DB12245; KS-5329; MCULE-8131756770; NC00131; NSC 759250; SB17173; NCGC00164610-02; I018; SBI-0207022.P001; CAS-68786-66-3; FT-0602564; SW197511-2; T2826; Triclabendazole 100 microg/mL in Acetonitrile; D07364; AB00639964-10; AB00639964_12; AB00639964_13; 786T663; A836250; Q419739; SR-01000759363; SR-01000759363-4; Triclabendazole, VETRANAL(TM), analytical standard; BRD-K81916719-001-05-5; 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)benzimidazole; Triclabendazole, EuropePharmacopoeia (EP) Reference Standard; 5-Chloro-6-(2',3'-dichlorophenoxy)-2-(methylthio)benzimidazole; 5-chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-1,3-benzodiazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfanyl)-1H-benzimidazole; 5-[2,3-bis(chloranyl)phenoxy]-6-chloranyl-2-methylsulfanyl-1H-benzimidazole; 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole;Triclabendazole; Triclabendazole for system suitability, EuropePharmacopoeia (EP) Reference Standard; JA9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94759	DB12245	.	DR1639	359.7	C14H9Cl3N2OS	63.2	365	5.7	21	1	3	3	"1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)"	CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl	NQPDXQQQCQDHHW-UHFFFAOYSA-N
DG00918	Doxofylline	50942	"DOXOFYLLINE; 69975-86-6; Doxophylline; Ansimar; Dioxyfilline; Maxivent; Ventax; UNII-MPM23GMO7Z; ABC 12/3; 7-(1,3-Dioxolan-2-ylmethyl)theophylline; MPM23GMO7Z; Theophylline, 7-(1,3-dioxolan-2-ylmethyl)-; 7-((1,3-dioxolan-2-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; MFCD00865218; NSC-759645; NCGC00159330-02; DSSTox_CID_2968; 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; DSSTox_RID_76810; DSSTox_GSID_22968; Doxofilina; Doxofyllinum; Doxofylline [USAN:INN]; Doxofilina [INN-Spanish]; Doxofyllinum [INN-Latin]; 7-((1,3-dioxolan-2-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; CAS-69975-86-6; SR-01000789760; EINECS 274-239-6; BRN 0561195; Synasma; 2-(7'-Theophyllinemethyl)-1,3-dioxolane; Doxofylline,(S); Maxivent (TN); 2-(7'-Teofillinmetil)-1,3-diossolano [Italian]; 2-(7'-Teofillinmetil)-1,3-diossolano; Doxofylline (USAN/INN); 1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-; 7-(1,3-Dioxolon-2-ylmethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-purindion; SCHEMBL37963; 5-26-14-00120 (Beilstein Handbook Reference); MLS001214637; ZINC3837; CHEMBL1527608; DTXSID7022968; CHEBI:94714; Doxofylline, >=98% (HPLC); 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione; HMS2090E04; HMS2877P10; HMS3652H03; HMS3714M21; HMS3885B09; Pharmakon1600-01502358; ABC-12/3; ABC-1213; BCP12155; HY-B0004; Tox21 111577; Tox21_111577; BBL012263; DO-309; NSC759645; s4164; STK735429; 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione; AKOS005535592; Tox21_111577_1; AC-3492; CCG-213050; CS-8019; DB09273; DS-7424; MCULE-4193802883; NSC 759645; NCGC00159330-03; NCGC00159330-04; NCGC00159330-10; BD164389; H488; SMR000543614; D4302; FT-0630792; SW199176-2; D03898; D90272; AB00828111-06; AB00828111_07; AB00828111_08; 975D866; A836720; L001990; Q425887; 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethylxanthine; SR-01000789760-2; SR-01000789760-3; 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-1H-purine-2,6-dione; Doxofylline, United States Pharmacopeia (USP) Reference Standard; 1H-Purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl- (9CI); 7-[(1,3-dioxolan-2-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94714	DB09273	.	DR0545	266.25	C11H14N4O4	76.9	398	-0.9	19	0	5	2	"1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3"	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3	HWXIGFIVGWUZAO-UHFFFAOYSA-N
DG00919	Cefaclor	51039	"Cefaclor; 53994-73-3; Cephaclor; Ceclor; Cefaclorum; Cefaclor anhydrous; Kefral; Panoral; Raniclor; Cefaclorum [INN-Latin]; UNII-3Z6FS3IK0K; 3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid; S 6472; Cefaclor Impurity C; CHEBI:3478; CCL; 3Z6FS3IK0K; MLS000069617; (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 143059-69-2; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-aminophenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-; 53994-73-3 (free); MFCD00151471; (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; NCGC00022612-04; Alfacet; SMR000058250; DSSTox_CID_2748; DSSTox_RID_76713; DSSTox_GSID_22748; Dystaclor MR; L-Kefral; Ceclor CD; Alenfral (TN); Cefaclor [INN]; (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CAS-53994-73-3; NSC-757422; S-6472; Cefaclor,(S); EINECS 258-909-5; Cefaclor (JP17); Spectrum_001070; SpecPlus_000947; Prestwick0_000485; Prestwick0_001102; Prestwick1_000485; Prestwick1_001102; Prestwick2_000485; Prestwick2_001102; Prestwick3_000485; Prestwick3_001102; Spectrum2_001189; Spectrum3_001858; Spectrum4_000093; Spectrum5_001727; CHEMBL680; Epitope ID:117133; SCHEMBL33540; BSPBio_000349; BSPBio_001204; BSPBio_003276; KBioGR_000386; KBioSS_001550; cid_51039; MLS001424193; DivK1c_007043; SPECTRUM1500771; SPBio_001237; SPBio_002270; SPBio_003082; BPBio1_000385; BPBio1_001326; DTXSID3022748; BDBM42131; KBio1_001987; KBio2_001550; KBio2_004118; KBio2_006686; KBio3_002777; BCPP000294; HMS1571M06; HMS1921G22; HMS2052C11; HMS2092K08; HMS2233M13; Pharmakon1600-01500771; HY-B0198; ZINC3812869; Tox21_110880; CCG-40264; NSC757422; AKOS024282614; Tox21_110880_1; BCP9000501; Cefaclor, analytical reference material; DB00833; NC00354; 7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid; NCGC00015260-22; NCGC00022612-05; NCGC00022612-06; NCGC00022612-07; NCGC00022612-10; NCGC00022612-11; 7-((2R)-2-amino-2-phenylacetylamino)(7R,7aR)-3-chloro-6-oxo-2H,7H-azetidino[2, 1-b]1,3-thiazine-4-carboxylic acid; AS-74992; SBI-0051606.P002; AB00052174; C-2461; C06877; D00256; AB00052174_15; AB00052174_16; Cefaclor, Antibiotic for Culture Media Use Only; A900728; Q415167; SR-05000001556; SR-05000001556-1; BRD-K20338176-002-03-5; 7-(D-2-AMINO-2-PHENYLACETAMIDO)-3-CHLORO-3-CEPHEM-4-CARBOXYLIC; (6R,7R)-7-((S)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(R)-2-AMINO-2-PHENYLACETAMIDO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4,2,0]OCT-2-ENE-2-CARBOXYLIC ACID; (6R,7R)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-chloro-8-oxo-, (6R-(6-alpha,7-beta(R*)))-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6R,7R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3478	DB00833	DR00259	.	367.8	C15H14ClN3O4S	138	606	-1.8	24	3	6	4	"1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl	QYIYFLOTGYLRGG-GPCCPHFNSA-N
DG00924	Mifepristone	55245	"Mifepristone; 84371-65-3; Mifegyne; Mifeprex; RU-486; Corlux; Korlym; RU486; RU 486; RU 38486; Mifepriston; RU-38486; UNII-320T6RNW1F; MLS000069785; 320T6RNW1F; VGX-410C; CHEBI:50692; VGX-410; NCGC00025179-05; SMR000058481; Mifepristonum [Latin]; Mifepristona [Spanish]; DSSTox_CID_3322; C-1073; DSSTox_RID_76976; DSSTox_GSID_23322; (11beta,17beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one; (8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE; Mifepristona; Mifepristonum; (11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one; RU486 (tetramethyl-rhodamine conjugated); Mifepristone [USAN:INN:BAN]; HSDB 6841; SR-01000076011; R 38486; BRN 5779404; Pictovir; RU 486-6; CCRIS 9332; 1nhz; NSC-759862; 11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one; Mifeprex (TN); Pictovir (TM); Prestwick_570; CAS-84371-65-3; Korlym (TN); 2w8y; Mifepristone (Mifeprex); Opera_ID_562; Mifepristone, >=98%; Prestwick0_000299; Prestwick1_000299; Prestwick2_000299; Prestwick3_000299; Spectrum5_002045; 11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on; 17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one; BIDD:PXR0123; Lopac0_000801; SCHEMBL16087; BSPBio_000238; 11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on; 11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one; MLS001074115; MLS001424271; (non-labelled)Mifepristone-d3; SPBio_002457; RU-486; MIFEPRISTONE; BPBio1_000262; CHEMBL438575; GTPL2805; Mifepristone (JAN/USAN/INN); CHEMBL1276308; DTXSID5023322; BDBM18627; AOB6893; HMS1568L20; HMS2052L05; HMS2090L22; HMS2095L20; HMS2230P21; HMS3262B03; HMS3412D17; HMS3649J08; HMS3676D17; HMS3712L20; HMS3884D12; ACT02598; BCP02145; ZINC3831128; Tox21_110952; Tox21_301841; Tox21_500801; BDBM50072024; HSCI1_000369; MFCD00867226; s2606; VX-410; AKOS015895416; Tox21_110952_1; CCG-101164; CI-1073; CS-1435; DB00834; LP00801; NC00414; NSC 759862; SDCCGSBI-0050778.P002; Mifepristone 1.0 mg/ml in Acetonitrile; NCGC00025179-06; NCGC00025179-07; NCGC00025179-08; NCGC00025179-09; NCGC00025179-12; NCGC00025179-13; NCGC00025179-23; NCGC00179632-01; NCGC00255152-01; NCGC00261486-01; (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; AS-13938; CPD000058481; Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11-beta,17-beta)-; HY-13683; RU486;C-1073; EU-0100801; C07652; D00585; M 8046; 371M653; A840767; Q411240; SR-01000721888; Q-201405; SR-01000076011-1; SR-01000076011-3; SR-01000076011-5; SR-01000076011-9; SR-01000721888-4; BRD-K37270826-001-04-5; BRD-K37270826-001-31-8; Mifepristone, United States Pharmacopeia (USP) Reference Standard; (11 ,17 )-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; 11.beta.-[4-(Dimethylamino)phenyl]-17.beta.-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one; 11beta-(4-Dimethyl-amino)-phenyl-17beta-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one; 11ss-[p-(Dimethylamino)fenyl]-17ss-hydroxy- 17-(1-propynyl)estra-4,9-dien-3-on; (10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,6-dien-5-one; (10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one; (11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one; (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one; 122742-25-0; 83203-42-3; Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11b,17b)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:50692	DB00834	DR00714	DR1091	429.6	C29H35NO2	40.5	921	3.8	32	1	3	3	"1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1"	CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O	VKHAHZOOUSRJNA-GCNJZUOMSA-N
DG00931	Esmolol	59768	"ESMOLOL; 81147-92-4; 103598-03-4; (+-)-Esmolol; Brevibloc; ASL 8052-001; methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate; Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate; Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester; CHEBI:88206; Esmolol [INN:BAN]; methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate; Esmolol (INN); NCGC00185766-01; BRN 5287174; SR-01000763706; Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester; (+/-)-esmolol; CHEMBL768; SCHEMBL3605; GTPL7178; DTXSID4022995; HMS2090P06; HMS3743M15; HMS3886F03; methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate; BDBM50404796; methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate; MFCD00864566; s5778; AKOS015960734; methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate; methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate; DB00187; SL-8052; MRF-0000253; NCGC00185766-02; NCGC00185766-05; AC-12058; ASL-8052-001; DB-015362; E1106; FT-0630886; C06980; D07916; D90594; AB00698516-07; AB00698516-09; AB00698516_10; 147E924; L001332; Q418139; SR-01000763706-3; (+/-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate; Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate; 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester; 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester; Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate / 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:88206	DB00187	DR00853	DR0626	295.37	C16H25NO4	67.8	288	1.9	21	2	5	10	"1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3"	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O	AQNDDEOPVVGCPG-UHFFFAOYSA-N
DG00933	Doxacurium	60169	"Doxacurium; bis[3-[6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate; 106791-39-3; Doxacurium ion; Doxacurium cation; C07549; CHEBI:4706; CHEMBL1237123; SCHEMBL10119676; DB01135; L000825"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4706	DB01135	.	.	1035.2	C56H78N2O16+2	163	1540	7.4	74	0	16	29	"1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2"	C[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C	GBLRQXKSCRCLBZ-UHFFFAOYSA-N
DG00937	Atorvastatin	60823	"Atorvastatin; 134523-00-5; Cardyl; Lipitor; Torvast; ATORVASTATIN CALCIUM; 110862-48-1; UNII-A0JWA85V8F; (3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid; CI 981; Lipitor (TN); Tozalip; Xavator; A0JWA85V8F; CHEMBL1487; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid; CHEBI:39548; (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 134523-03-8; Atorvastatin [INN:BAN]; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R-(R*,R*))-; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID; Atorvastatin calcium salt; atorvastatina; atorvastatine; atrovastin; Atofast; Atorcor; Atorlip; Lipilou; Lipinon; Atorin; Ator; Lipitor(TM); (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; Atorvastatin (INN); Sortis (TN); CCRIS 7159; MFCD00899261; C33H35FN2O5; HSDB 7039; NCGC00159458-03; atorvastatinum; rel-Atorvastatin; (betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid; Atorvastatin & Primycin; DSSTox_CID_9868; SCHEMBL3831; DSSTox_RID_78825; DSSTox_GSID_29868; BIDD:GT0336; Atorvastatin (Relative Stereo); GTPL2949; DTXSID8029868; BDBM22164; DTXSID60274003; HMS3715L05; HMS3886C20; Lipilou; Tozalip; Torvast; Cardyl; (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; ACT03225; HY-B0589; ZINC3920719; Tox21_302417; s5715; AKOS000281127; AC-9386; CCG-221172; DB01076; MCULE-2368532812; MRF-0000761; NCGC00159458-02; NCGC00159458-20; NCGC00255181-01; (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-; 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID; AS-35260; H942; CAS-134523-00-5; C06834; D07474; 523A005; A802259; A806791; A806793; Q668093; SR-01000872702; SR-01000872702-1; BRD-K69726342-001-02-6; UNII-36TN91XZ0V component XUKUURHRXDUEBC-KAYWLYCHSA-N; (3R,5R)-7-[2-(4-FLUOROPHENYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-5-PROPAN-2-YL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID; (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid; (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (beta-R,delta-R)-;; sodium 7-[5-(4-fluorophenyl)-2-isopropyl-4-phenyl-3-(phenylcarbamoyl)-2,3-dihydropyrrol-1-yl]-3,5-dihydroxy-heptanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:39548	DB01076	DR00030	.	558.6	C33H35FN2O5	112	822	5	41	4	6	12	"1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1"	CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	XUKUURHRXDUEBC-KAYWLYCHSA-N
DG00938	Valsartan	60846	"Valsartan; 137862-53-4; Diovan; Tareg; CGP 48933; Provas; Exforge; (S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid; CGP-48933; 137863-60-6; UNII-80M03YXJ7I; MFCD00865840; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine; CHEMBL1069; 80M03YXJ7I; CHEBI:9927; (s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid; L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; NSC-758927; Kalpress; Miten; Nisis; Vals; (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine; L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-; N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine; N-[p-(o-1H-Tetrazol-5-ylphenyl)benzyl]-N-valeryl-L-valine; Valzaar; Valtan; [3H]valsartan; (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; SMR000466318; Diovan (TN); Prexxartan; Valpression; Varexan; HSDB 7519; L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-; Valsartan [USAN:USP:INN:BAN]; Valsartan,(S); Valsartan- Bio-X; (2S)-3-Methyl-2-(pentanoyl-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)amino)butanoic acid; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; valsartan (Diovan); Spectrum_001796; Spectrum2_001120; Spectrum3_001831; Spectrum4_000749; Spectrum5_001582; Prexxartan (oral solution); EC 604-045-2; SCHEMBL2542; BSPBio_003501; GTPL593; KBioGR_001078; KBioSS_002289; MLS000759423; MLS001424088; BIDD:GT0345; SPECTRUM1505209; SPBio_001260; Valsartan (JP17/USP/INN); GTPL3937; Valsartan, >=98% (HPLC); KBio2_002287; KBio2_004855; KBio2_007423; KBio3_003006; EZR-104; VAL-489; HMS1922L21; HMS2051L12; HMS2093K22; HMS2232F05; HMS3651E04; HMS3715P12; Pharmakon1600-01505209; ACT02671; BCP05184; ZINC3875259; BDBM50049186; NSC758927; s1894; AKOS015914315; AKOS015994698; AC-4543; AM90287; CCG-101028; CCG-221275; CS-1967; DB00177; DS-1248; KS-1194; MCULE-6728882368; NC00278; NSC 758927; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine; NCGC00178027-08; NCGC00178027-11; BV164506; HY-18204; I997; SBI-0206738.P001; SW197658-2; V-120; 62V534; D00400; J10013; AB00639940-06; AB00639940-08; AB00639940_09; AB00639940_11; Q155472; SR-05000001928; J-007068; SR-05000001928-1; BRD-K45158365-001-02-3; BRD-K45158365-001-05-6; Valsartan, European Pharmacopoeia (EP) Reference Standard; N-Valeryl-N-[2'-(5-tetrazolyl)biphenyl-4-ylmethyl]-L-valine; Valsartan, United States Pharmacopeia (USP) Reference Standard; N-Valeryl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-L-valine; Valsartan, Pharmaceutical Secondary Standard; Certified Reference Material; (5)-2-{N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]pentanamido}-3-methylbutanoic acid; (S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; 3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid; L-Valine,N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]methyl]- (9CI); N-(1-oxopentyl)-N-[[2'-(1h-tetrazol-5-yl) [1,1'-bi-phenyl]-4-yl]methyl]-l-valine; N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(L)-valine; N-(1-OXOPENTYL)-N-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-L-VALINE; N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valine; Valsartan for peak identification, European Pharmacopoeia (EP) Reference Standard; Valsartan for system suitability, European Pharmacopoeia (EP) Reference Standard; (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid; Diovan; Tareg; Provas; Exforge; N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine; (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid; (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid.; (2S)-3-Methyl-2-{N-pentanoyl-N'-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butanoic acid; (2S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-2-(N-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid; (s)-3-methyl-2-[N-({4-[2-(2h-1,2,3,4-tetrazol-5-yl) phenyl]phenyl}methyl)pentanamido]butanoic acid; (S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid; (s)-3-methyl-2-{pentanoyl-[-2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-3-Methyl-2-{pentanoyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]amine; (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine; (S)-N-(1-Carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine; 2-{[2''-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid; 3-Methyl-2-{((S)-pentanoyl)-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid; U35"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9927	DB00177	DR00071	DR1668	435.5	C24H29N5O3	112	608	4.4	32	2	6	10	"1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1"	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O	ACWBQPMHZXGDFX-QFIPXVFZSA-N
DG00941	Trovafloxacin	62959	"Trovafloxacin; 147059-72-1; TVFX; Trovafloxacin [INN]; UNII-9F388J00UK; Trovafloxacin (INN); 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; CP-99219; CHEBI:9763; 9F388J00UK; 7-[(1R,5S,6s)-6-Amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; Trovan (oral); 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; Fluorinated quinolone; CP-99,219; trovafloxacine; trovafloxacino; trovafloxacinum; 7-((1R,5S,6S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; TR6; CP99219; CHEMBL428; SCHEMBL34465; SCHEMBL34466; 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; SCHEMBL9177464; DTXSID0041145; EX-A897; BCP12644; HY-A0170; MFCD00871697; ZINC12503149; AKOS000277872; AKOS015909896; ZINC100030989; ZINC147175374; DB00685; (1alpha,5alpha,6alpha)-7-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; 1,8-Naphthyridine-3-carboxylic acid, 7-[(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-; 7-((1R,5S)-6-Amino-3-aza-bicyclo[3.1.0]hex-3-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid; CS-0017509; C07664; D08654; A935288; Q544393; 1,8-Naphthyridine-3-carboxylic acid, 7-(1.alpha.,5.alpha.,6.alpha.)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-; 1,8-Naphthyridine-3-carboxylic acid, 7-(6-amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (1alpha,5alpha,6alpha)-; 7-[(1.alpha.,5.alpha.,6.alpha.)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(1alpha,5alpha)-6beta-Amino-3-azabicyclo[3.1.0]hexane-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9763	DB00685	.	.	416.4	C20H15F3N4O3	99.8	770	0.3	30	2	10	3	"1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16 "	C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F	WVPSKSLAZQPAKQ-SOSAQKQKSA-N
DG00945	Ceftezole	65755	"Ceftezole; 26973-24-0; Ceftezol; Ceftezolum; UNII-2Z86SYP11W; Ceftezole [INN]; ceftezole sodium; 2Z86SYP11W; (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Ceftezole (INN); Demethylcefazolin; (6R,7R)-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; demethyl cefazolin; CG-B 3 Q; NCGC00182064-02; Ceftezol [INN-Spanish]; Ceftezolum [INN-Latin]; C13H12N8O4S3; MLS006010107; SCHEMBL147529; CHEMBL1697829; DTXSID0022771; J01DB12; CHEBI:135716; BCP12070; HY-N7095; ZINC3830473; MFCD00274176; s5289; AKOS037643294; CCG-269124; DB13821; AS-13011; H011; SMR004701245; CS-0077833; D07656; 973C240; A818761; J-016638; Q5057295; (6R,7R)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-7-(2-(1H-tetrazol-1-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-Oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxo-7-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Ceftezole; (6R,7R)-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[2-(1H-tetrazol-1-yl)acetamido]-3-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135716	.	.	.	440.5	C13H12N8O4S3	235	709	-0.7	28	2	12	7	"1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4	DZMVCVMFETWNIU-LDYMZIIASA-N
DG00946	Milnacipran	65833	"Milnacipran; 92623-85-3; Dextromilnacipran; Levomilnacipran; Milnacipranum [Latin]; UNII-ES1O38J3C4; 96847-55-1; F 2207; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide; ES1O38J3C4; Dalcipran; (+-)-Milnacipran; F2207; Milnacipranum; Milnace; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-,(1R,2S)-rel-; (-)-milnacipran; Milnacipran [INN:BAN]; ( )-Milnacipran; Milnacipran (INN); F2696; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(+-)-; SCHEMBL8099; CHEMBL252923; DTXSID3048287; BDBM86420; CHEBI:94468; ZINC14037; HY-B0168; (+-)-cis-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; NCGC00165825-01; HY-14794; R211; CAS_92623-85-3; CS-0003566; C16729; D08222; AB00640027_06; 623M853; Q421058; UNII-G56VK1HF36 component GJJFMKBJSRMPLA-HIFRSBDPSA-N; F0F"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94468	DB04896	.	DR2421	246.35	C15H22N2O	46.3	295	1.4	18	1	2	5	"1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1"	CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2	GJJFMKBJSRMPLA-HIFRSBDPSA-N
DG00951	Brodimoprim	68760	"Brodimoprim; 56518-41-3; Brodimoprima; Brodimoprime; Brodimoprimum; Ro 10-5970; 5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine; Brodimoprim [INN]; 2,4-Diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine; Ro 105970; UNII-V1YC7T6LLI; V1YC7T6LLI; CHEMBL31891; Bromdimoprim; Unitrim; 5-((4-Bromo-3,5-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine; 2,4-Pyrimidinediamine, 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]-; Brodimoprim (INN); Hyprim; 2,4-Pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-; Brodimoprime [INN-French]; Brodimoprimum [INN-Latin]; Brodimoprima [INN-Spanish]; Ro-10-5970; EINECS 260-238-8; BRN 0760113; Brodimoprim-[d6]; 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine; SCHEMBL49613; 5-25-13-00394 (Beilstein Handbook Reference); ZINC5824; DTXSID20205070; CHEBI:131726; 5-[(4-bromo-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine; BDBM50027970; AKOS016013929; DB13795; NCGC00238470-01; DA-04825; HY-121341; CS-0081497; FT-0663605; D07238; 518B413; Q4973047; 5-(3,5-Dimethoxy-4-bromobenzyl)-2,4-diaminopyrimidine; 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)-pyrimidine; 5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131726	.	.	.	339.19	C13H15BrN4O2	96.3	296	2	20	2	6	4	"1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)"	COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N	BFCRRLMMHNLSCP-UHFFFAOYSA-N
DG00953	Tianeptine	68870	"Tianeptine; 66981-73-5; 72797-41-2; Tianeptine Acid; Tianeptine [INN]; 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid; Tianeptine (INN); AKU7QFL9ZT; UNII-AKU7QFL9ZT; Stablon (TN); C21H25ClN2O4S; UNII-XV6773012I; TPI-1062; XV6773012I; 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; JNJ-39823277; Tianeptina; 7-((3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid; 7-[(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; Tianeptina [INN-Spanish]; Tianeptineacid; (S)-tianeptine; (+)-Tianeptine; (-)-Tianeptine; EINECS 276-851-9; Tianeptine, (+)-; Tianeptine, (-)-; 1159812-13-1; SCHEMBL49293; (1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide; MLS006010111; GTPL7558; CHEMBL1289110; DTXSID7048295; CHEBI:91749; CHEBI:190006; CHEBI:190008; HMS3886A13; BCP10101; EX-A2724; MFCD00865376; s5087; ZB1716; AKOS015900590; AC-2091; CCG-269088; CS-0433; DB09289; KS-5099; HY-90003; K099; SMR004701247; FT-0630770; FT-0675218; 23T172; C76315; D02575; A835601; A914696; Q424260; S-16190; S-16191; Q-100759; BRD-A53077924-236-01-4; 169293-31-6; 191172-75-5; 7-[(3-chloro-6-methyl-5,5-dioxo-6,11-dihydro-5H-5lambda(6)-dibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid; 7-[(6-chloro-10-methyl-9,9-dioxo-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)amino]heptanoic acid; 7-[[3-chloranyl-6-methyl-5,5-bis(oxidanylidene)-11H-benzo[c][2,1]benzothiazepin-11-yl]amino]heptanoic acid; 7-{[(11S)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (+)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, (-)-; Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)-, S,S-dioxide, (+)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:91749	DB09289	DR01101	DR1589	437	C21H25ClN2O4S	95.1	654	1.2	29	2	6	8	"1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)"	CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O	JICJBGPOMZQUBB-UHFFFAOYSA-N
DG00956	Artemether	68911	"Artemether; 71963-77-4; beta-Artemether; Dihydroartemisinin methyl ether; Artemetherum; Artemisininelactol methyl ether; Methyl-dihydroartemisinine; Artemetero; Paluther; beta-Dihydroartemisinin methyl ether; SM 224; Artemetheri; Dihydroqinghaosu methyl ether; CHEBI:195280; Artenam; Artemos; Artesaph; CPD000469218; Falcidol; Gvither; Malartem; C16H26O5; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane; Larither; SM-224; Artemetero [INN-Spanish]; Artemetherum [INN-Latin]; methoxy(trimethyl)[ ]; 10-methoxy-1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; Dihydroquinghaosu methyl ether; HSDB 7456; NSC 665970; UNII-C7D6T3H22J; Artemeter; Artimist; Qinghao; beta artemether; Artemether [USAN:INN:BAN]; CGP 56696; NSC665970; NSC-665970; NSC-759820; .beta.-Artemether; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-10-methoxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin; Dihydroartemisinin impurity g; MLS001424249; Artemether (JAN/USAN/INN); C7D6T3H22J; CHEMBL566534; GTPL9955; SCHEMBL1650501; Artemether, >=98% (HPLC); DTXSID7040651; HMS2052L09; HMS2232J21; SM224; ACT03313; AMY25769; HY-N0402; BDBM50248200; ZINC14263142; AKOS026750084; CCG-101180; DB06697; MCULE-9916057476; NC00430; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR)-, (+)-; SMR000469218; D02483; AB00698368-05; AB00698368_06; Q416199; 2-Chloro-3,5-dimethyl-4-methoxypyridinehydrochloride; Z1550675461; Artemether, United States Pharmacopeia (USP) Reference Standard; (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0;{4,13}.0;{8,13}]hexadecane; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine; (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromene; (3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-10methoxy-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j]-1,2benzodioxepin; 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-; D8Z"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:195280	DB06697	.	DR0140	298.37	C16H26O5	46.2	429	3.1	21	0	5	1	"1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1"	C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C	SXYIRMFQILZOAM-HVNFFKDJSA-N
DG00961	Epicillin	71392	"Epicillin; Dexacillin; Dihydroampicillin; Epicilline; Epicillinum; Epicilina; 26774-90-3; SQ 11302; UNII-3LU1L73C8Y; CHEBI:58974; 3LU1L73C8Y; SQ-11302; SQ 11,302; Epicilina [INN-Spanish]; Epicilline [INN-French]; Epicillinum [INN-Latin]; Dexacillin (TN); 6beta-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid; EINECS 248-001-7; BRN 1091831; Epicillin [USAN:INN:BAN]; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-, D-; Epicillin (USAN/INN); Epitope ID:120382; SCHEMBL34063; 6-((Amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta,(S*)))-; 6-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; CHEMBL2104266; GTPL10804; DTXSID60181288; ZINC4215810; DB13300; SQ11302; (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-; D04020; Q5382578; (2S,6R)-6-((R)-2-amino-2-(cyclohexa-1,4-dienyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:58974	.	.	.	351.4	C16H21N3O4S	138	658	-1.3	24	3	6	4	"1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C	RPBAFSBGYDKNRG-NJBDSQKTSA-N
DG00963	Enocitabine	71734	"Enocitabine; 55726-47-1; Sunrabin; NSC-239336; UNII-9YVR68W306; 9YVR68W306; NCGC00167515-01; Behenoylcytosine arabinoside; Enocitabina; Enocitabinum; Enocitabine [INN:JAN]; BHAC; Enocitabinum [INN-Latin]; Enocitabina [INN-Spanish]; Sunrabin (TN); N-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)docosanamide; N(sup 4)-Behenoylcytosine arabinoside; NSC 239336; BRN 0772101; N(sup 4)-Behenoyl-1-beta-D-arabinofuranosylcytosine; Enocitabine (JAN/INN); n4-behenoyl-1-beta-d-arabinofuranosylcytosine; N-(1-beta-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide; SCHEMBL7962; DSSTox_CID_26682; DSSTox_RID_81817; DSSTox_GSID_46682; CHEMBL2106589; DTXSID6046682; SCHEMBL21051876; CHEBI:31537; AOB6809; EX-A2055; ZINC8214554; Tox21_112513; AKOS016014098; Docosanamide, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-; NCGC00167515-03; N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide; CAS-55726-47-1; HY-123523; CS-0082897; D01633; 726E471; A830776; Q5379350; BRD-K32007074-001-02-9; N-{1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}docosanamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31537	.	.	.	565.8	C31H55N3O6	132	774	9.2	40	4	6	23	"1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1"	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	SAMRUMKYXPVKPA-VFKOLLTISA-N
DG00966	Secnidazole	71815	"Secnidazole; 3366-95-8; Secnidazol; Flagentyl; Secnidazolum; Secnidazolum [INN-Latin]; 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol; RP 14539; 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; PM 185184; PM-185184; Secnidazole (Flagentyl); SYM-1219; 1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol; RP-14539; MLS000559043; 1-(2-Methyl-5-nitro-imidazol-1-yl)-propan-2-ol; NSC-759812; NCGC00095158-01; SMR000149359; RP-14539;PM-185184; DSSTox_CID_25934; DSSTox_RID_81233; DSSTox_GSID_45934; Solosec; Secnidazol [INN-Spanish]; CAS-3366-95-8; SR-01000685111; EINECS 222-134-0; alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol; Secnidal; Sindose; Secnil; 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol; Secnidal (TN); Secnidazole-[d6]; Secnidazole [USAN:INN:BAN:DCF]; SYM 1219; Solosec (TN); Secnidazole anhydrous; Secnidazole hemihydrate; Ornidazole metabolite m4; Opera_ID_1811; Spectrum2_000033; Spectrum3_001956; alpha,2-Dimethyl-5-nitroimidazole-1-ethanol; Secnidazole (USAN/INN); 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol; Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-; BSPBio_003556; MLS000759496; MLS001201813; MLS001424126; MLS006011434; SCHEMBL363924; SPECTRUM1505304; SPBio_000125; CHEMBL498847; DTXSID3045934; CHEBI:94433; KBio3_002874; CHEBI:140628; HMS1922B12; HMS2051C20; HMS2090N15; HMS2231G11; HMS3369N08; HMS3393C20; HMS3656G14; HMS3714I05; Pharmakon1600-01505304; BCP12459; HY-B1118; Tox21_111457; BBL010784; BDBM50349330; CCG-39993; MFCD00864656; NSC759812; STK590474; AKOS005512552; AKOS025149490; Tox21_111457_1; CCG-100896; CS-4641; DB12834; KS-1191; MCULE-8220679702; NC00146; NSC 759812; SB19197; NCGC00095158-02; NCGC00095158-03; NCGC00095158-04; NCGC00095158-05; NCGC00095158-08; AC-12065; H737; SBI-0207037.P001; Secnidazole 100 microg/mL in Acetonitrile; DB-000688; FT-0601624; S2537; SW197526-3; D07353; J10074; 1-(2- hydroxypropyl)-2-methyl-5-nitroimidazole; 1H-Imidazole-1-ethanol, a,2-dimethyl-5-nitro-; AB00456738-13; AB00456738-15; AB00456738_16; AB00456738_17; 366S958; A821901; J-019291; Q4413249; SR-01000685111-4; SR-01000685111-6; SR-01000685111-7; BRD-A70083328-001-02-9; BRD-A70083328-001-12-8; 1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2- ol; 1-(2-Methyl-5-nitro-imidazol-1-yl)propan-2-ol;Secnidazole"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94433	DB12834	.	DR2431	185.18	C7H11N3O3	83.9	194	0.2	13	1	4	2	"1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3"	CC1=NC=C(N1CC(C)O)[N+](=O)[O-]	KPQZUUQMTUIKBP-UHFFFAOYSA-N
DG00974	Nonoxynol-9	72385	"Nonoxynol-9; Nonoxynol 9; 14409-72-4; Delfen; 26571-11-9; Tergitol NP-9; PEG-9 Nonyl phenyl ether; Tergitol NP9; Nonaethylene glycol nonylphenyl ether; Nonylphenol octa(oxyethylene) ethanol; Nonaethylene glycol mono(nonylphenyl) ether; NONOXINOL-9; Nonylphenoxypolyethoxyethanol; Polyoxyethylene (9) nonyl phenyl ether; 26-(4-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol; 26-(Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol; 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol; CHEBI:53775; NSC-758941; p-Nonylphenyl polyethylene glycol ether; Conceptrol; Nonoxynol, n=9; N-9; Intercept; Semicid; 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(4-nonylphenoxy)-; 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-ethoxy]ethoxy]ethoxy]ethoxy]ethanol; Staycept; Emko; Today Sponge; Nonoxinolum 9; HSDB 8094; Gynol II; C-Film; Norfox np-9; Tergitol TP-9; Nonoxynol-9.5; EINECS 247-816-5; Conco NI-90; K-Y plus nonoxynol-9; Spectrum2_001247; Spectrum3_001946; 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-; ALOSETRONHYDROCHLORIDE; CHEMBL1410; SCHEMBL36844; BSPBio_003546; SPECTRUM1505292; SPBio_001154; Dowfax 9N9, Neutronyx 611; CO-630SP; KBio3_002833; DTXSID00858720; HMS2093O22; Pharmakon1600-01505292; ZINC8214629; BDBM50442874; CCG-39124; NSC758941; AKOS015910808; DB06804; NSC 758941; NCGC00095907-02; NCGC00095907-03; N 9; SBI-0206761.P001; Polyethylene glycol 450 nonyl phenyl ether; AB01563056_01; Q420039; SR-05000001885; J-016227; Q-201490; SR-05000001885-1; BRD-K88625236-001-01-8; 1-(4-nonylphenyl)-1,4,7,10,13,16,19,22,25-nonaoxaheptacosan-27-ol; N9"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:53775	DB06804	.	.	616.8	C33H60O10	103	520	4.6	43	1	10	35	"1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3"	CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	FBWNMEQMRUMQSO-UHFFFAOYSA-N
DG00975	Grepafloxacin	72474	"Grepafloxacin; 119914-60-2; Raxar; 146863-02-7; OPC-17116; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; CHEMBL583; Tomefloxacin; dl-Grepafloxacin; CHEBI:5543; 1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; OPC 17116; 1-CYCLOPROPYL-6-FLUORO-5-METHYL-7-(3-METHYLPIPERAZIN-1-YL)-4-OXO-QUINO LINE-3-CARBOXYLIC ACID; Grepafloxacin (unspecified); 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylicacid; CCRIS 7284; NCGC00167527-01; Grepafloxacin [INN:BAN]; dl-Grepafloxacin; PC 17116; PC-17116; SCHEMBL34155; (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; DTXSID2048321; GTPL10818; HMS3713L05; BCP23880; HY-A0147; OPC17116; RKL10071; BDBM50117924; AKOS016013941; DB00365; 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; CS-0017472; FT-0703068; Q414846; SR-01000872592; SR-01000872592-1; (+/-)-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-; 1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid (Grepafloxacin); 1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid; 1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5543	DB00365	DR00638	DR0790	359.4	C19H22FN3O3	72.9	636	-0.2	26	2	7	3	"1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)"	CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F	AIJTTZAVMXIJGM-UHFFFAOYSA-N
DG00979	Cefacetrile	91562	"Cefacetrile; Cephacetrile; 10206-21-0; Celospor; Cefacetrilum [INN-Latin]; Cefacetrilo [INN-Spanish]; Cefacetril; 7-Cyanacetylamino-cephalosporansaeure; UNII-FDM21QQ344; (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; FDM21QQ344; (6R,7R)-3-(Acetoxymethyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefacetrilo; Cefacetrilum; cephacetril; Cefacetrile (INN); Cefacetrile [INN:BAN]; EINECS 233-508-8; Vetrimast; Vetrimast [veterinary] (TN); (6R,7R)-3-Acetoxymethyl-7-(2-cyanacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; 7-(2-Cyanacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat acetat (ester); SCHEMBL141792; CHEMBL2110602; DTXSID0022779; CHEBI:135437; ZINC3830496; 2,4,6-TRIMETHOXYCINNAMICACID; AKOS030240997; DB01414; NCGC00510891-01; (6R,7R)-3-[(acetyloxy)methyl]-7-[(cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-7-[(2-cyanoacetyl)amino]-8-oxo-, (6R,7R)-; Cefacetrile 100 microg/mL in Acetonitrile; D07629; J-000558; Q4919176; (6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135437	DB01414	.	.	339.33	C13H13N3O6S	162	664	-0.5	23	2	8	6	"1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1"	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O	RRYMAQUWDLIUPV-BXKDBHETSA-N
DG00982	Argatroban	92722	"Argatroban; 74863-84-6; Argatroban anhydrous; MCI-9038; MD-805; Argipidine; (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid; GN-1600; C23H36N6O5S; Argatroban Injection; DK-7419; CHEMBL1166; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; 74863-84-6 (anhydrous); Argatroban In Sodium Chloride; Argatroban [INN:JAN]; (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methy; Argatrobanum; Argatrobanum [Latin]; GN1600; 121785-71-5; (2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido]pentanoyl]-4-methylpiperidine-2-carboxylic acid; (2R,4R)-4-methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid; SMR000466348; SR-05000001529; (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid; (2R,4R)-4-Methyl-1-((S)-N(sup 2)-(((RS)-1,2,3,4-tetrahydro-3-methyl-8-quinolyl)sulfonyl)arginyl)pipecolic acid; (2R,4R)-4-Methyl-1-[N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl]-2-piperidinecarboxylic acid; MLS000759461; MLS001424093; MLS006010033; GTPL6385; SCHEMBL1145308; SCHEMBL20567702; CHEBI:94385; HSDB 8488; HMS2051N07; HMS2090L12; HMS3713D22; BCP06831; EX-A4276; HY-B0375; 2858AH; BDBM50038001; s2069; AKOS015919612; CCG-100933; CCG-207885; DB00278; NC00183; NCGC00166413-01; NCGC00166413-03; 2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-; 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-; AS-14191; K280; SMR004624627; C72625; AB00639932-04; AB01275532-01; AB01275532_02; 863A846; SR-01000759392; J-500992; J-500996; SR-01000759392-4; SR-05000001529-1; SR-05000001529-2; BRD-A48261811-001-08-1; Q27074501; (2R,4R)-1-((2S)-5-guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline; (2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-pipe ridine-2-carboxylic acid; (2R,4R)-1-[(2S)-5-(DIAMINOMETHYLIDENEAMINO)-2-[[(3R)-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL]SULFONYLAMINO]PENTANOYL]-4-METHYL-PIPERIDINE-2-CARBOXYLIC ACID; (2R,4R)-1-[(2S)-5-guanidino-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2R,4R)-1-[(S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2R,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (2S,4S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; (S)-1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[(2R,3S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid; 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylic acid (Argatroban)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:94385	DB00278	.	DR0132	508.6	C23H36N6O5S	189	887	1.3	35	5	8	9	"1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15 ,17+,18-/m1/s1"	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C	KXNPVXPOPUZYGB-IOVMHBDKSA-N
DG00983	Propicillin	92879	"Propicillin; propicilline; 551-27-9; Propicilina; Propicillinum; UNII-8X1R260V33; (1-Phenoxypropyl)penicillin; CHEBI:52429; 8X1R260V33; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Propicillin potassium salt; 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid; Propicilina [INN-Spanish]; Propicilline [INN-French]; Propicillinum [INN-Latin]; Propicillin [INN:BAN:DCF]; EINECS 208-995-5; Propicillin (BAN); NCGC00160673-01; DSSTox_CID_26291; DSSTox_RID_81517; DSSTox_GSID_46291; SCHEMBL35608; .alpha.-phenoxypropylpenicillin; CHEMBL2105612; DTXSID3046291; Tox21_111976; DB13660; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; CAS-551-27-9; D08438"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:52429	.	DR00720	.	378.4	C18H22N2O5S	121	590	2.7	26	2	6	6	"1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11 ,12-,13+,16-/m1/s1"	CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3	HOCWPKXKMNXINF-XQERAMJGSA-N
DG00988	Dihydroergocristine	107715	"Dihydroergocristine; 17479-19-5; 9,10-Dihydroergocristine; DHEC; UNII-05D48LUM4Z; GNF-Pf-3462; Ergocristine, dihydro-; Dihydroergocristin; 05D48LUM4Z; CHEMBL601773; CHEBI:59912; NCGC00017401-02; DSSTox_CID_26322; DSSTox_RID_81538; DSSTox_GSID_46322; (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman; CAS-17479-19-5; Ergocristine, 9,10-dihydro-; CCRIS 4027; EINECS 241-493-4; SR-01000075381; NCGC00163163-01; Prestwick0_000562; Prestwick1_000562; Prestwick2_000562; Prestwick3_000562; Dihydroergocristine (BAN); Lopac0_000409; BSPBio_000344; SCHEMBL146691; SPBio_002563; BPBio1_000380; DTXSID3046322; HMS2090H10; ZINC3995616; Tox21_112021; Tox21_113115; BDBM50390992; 5'-Benzyl-9,10-dihydro-12'-hydroxy-2'-isopropyl-3',6',18-ergotamantrion; CCG-204502; DB13345; 9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion; 9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion [IUPAC]; NCGC00017401-06; NCGC00017401-07; NCGC00017401-08; NCGC00017401-09; NCGC00017401-10; NCGC00023148-04; NCGC00023148-05; NCGC00023148-06; Erotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-; D07834; Q5276428; SR-01000075381-5; BRD-K97440753-066-03-3; UNII-34HPE9Z8IP component DEQITUUQPICUMR-HJPBWRTMSA-N"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59912	.	.	.	611.7	C35H41N5O5	118	1210	3.3	45	3	6	5	"1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1"	CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C	DEQITUUQPICUMR-HJPBWRTMSA-N
DG00989	Fingolimod	107970	"Fingolimod; 162359-55-9; 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol; 2-Amino-2-(4-octylphenethyl)propane-1,3-diol; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol; UNII-3QN8BYN5QF; 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol; Fingolimod [INN]; 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-; Gilenya (TN); 3QN8BYN5QF; CHEMBL314854; CHEBI:63115; Fingolimod (INN); 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-; 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol; C19H33NO2; FTY-720A; 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol; fingolimodum; FingoliMod Base; Fingolimod- Bio-X; SCHEMBL7445; 2-(4-octylphenylethyl)-2-aminopropane-1,3-diol; GTPL2407; DTXSID40167363; HMS3743O13; AMY22173; BCP05969; ZINC1542002; 3674AH; BDBM50158336; NSC755643; s5950; STL445699; AKOS015999594; DB05286; DB08868; NSC-755643; NCGC00188399-01; NCGC00188399-03; NCGC00188399-04; NCGC00188399-06; NCGC00188399-16; AC-25899; AS-68987; BF164460; HY-11063; DB-064455; FT-0660847; 2-(4-octylphenethyl)-2-aminopropane-1,3-diol; D70458; 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol; Q425137; 2-amino-2-hydroxymethyl-4-(4-(octyl)phenyl)butanol; BRD-K88025533-003-01-7; 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:63115	DB08868	.	DR0696	307.5	C19H33NO2	66.5	258	4.2	22	3	3	12	"1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3"	CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	KKGQTZUTZRNORY-UHFFFAOYSA-N
DG00994	Pramipexole	119570	"Pramipexole; 104632-26-0; (-)-Pramipexole; Sifrol; Mirapexin; Pramipexol; (S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine; (S)-Pramipexole; Pramipexolum; Mirapex; SUD919CL2Y; U-98528E; SND 919; (S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole; (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; UNII-83619PEU5T; SND-919; Pramipexole Teva; PRAMIPEXOLE HCl; CHEBI:8356; CHEMBL301265; 83619PEU5T; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-; PRAMIPEXOLE HYDROCHLORIDE; NCGC00167441-01; Oprymea; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6S)-; (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; DSSTox_CID_3496; DSSTox_RID_77054; DSSTox_GSID_23496; Pramipexol [Spanish]; Pramipexolum [Latin]; SND-919CL2Y; (S)-Pramipexole Dihydrochloride; SMR000449298; CAS-104632-26-0; NSC-760426; SR-01000763219; Pramipexole (USAN/INN); (S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine; SUD 919CL2Y; Pramipexole [USAN:INN:BAN]; MFCD00869076; (-) Pramipexole; Pramipexole (Mirapex); Spectrum_001838; 111GE001; SpecPlus_000820; 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (S)-; Spectrum5_001453; EC 600-593-1; SCHEMBL35376; GTPL953; KBioSS_002343; MLS000758250; MLS001423952; BIDD:GT0250; DivK1c_006916; SUD-919CL2Y; DTXSID6023496; HSDB 8253; KBio1_001860; KBio2_002340; KBio2_004908; KBio2_007476; (s)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole; HMS2051A21; HMS2090C15; HMS2232B03; HMS3884L19; AMY10837; HY-B0410; ZINC3781664; Tox21_112445; BDBM50116766; CX1349; s2460; AKOS016843188; Tox21_112445_1; CCG-100823; DB00413; NC00073; NSC 760426; NCGC00167441-02; NCGC00167441-03; NCGC00167441-10; DS-14807; DB-038042; B1488; SW197453-4; D05575; AB00053772-12; AB00053772-13; AB00053772_14; AB00053772_16; 632P260; A801025; A901248; Q421304; J-001211; SR-01000763219-5; SR-01000763219-6; (6S)-4,5,6,7-tetrahydro-N6-propyl-2,6-benzothiazole-diamine; (6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; (s)-(-)-2-amino-6-n-propylamino-4,5,6,7-tetrahydrobenzothiazole; (S)-N 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine; 556801-24-2; N'-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine; (S)-2-Amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole;(S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8356	DB00413	DR00620	.	211.33	C10H17N3S	79.2	188	1.9	14	2	4	3	"1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1"	CCCN[C@H]1CCC2=C(C1)SC(=N2)N	FASDKYOPVNHBLU-ZETCQYMHSA-N
DG01002	Arbidol	131411	"Arbidol; umifenovir; 131707-25-0; UNII-93M09WW4RU; Umifenovir [INN]; ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate; MLS000777586; 93M09WW4RU; Umifenovir (INN); SMR000413980; 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester; 1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester; Arbidol base; 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester; 75U; Arbidol; Umifenovir; AR-1I9514; ChemDiv1_000732; Oprea1_384852; Oprea1_482224; MLS006011808; cid_131411; SCHEMBL1068701; CHEMBL1214598; BDBM83797; GTPL11089; HMS589B06; DTXSID60895015; CHEBI:134730; HMS2760J21; ALBB-028966; BCP04187; EX-A3050; MFCD01326495; STK021887; ZINC19907652; AKOS001485435; AT13213; DB13609; DT-0014; MCULE-3169804935; NCGC00246387-01; NCGC00246387-02; NCGC00246387-06; NCGC00246387-09; ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; Ethyl 6-bromo-5-hydroxy-1-methyl-4-((dimethylamino)methyl)-2-[(phenylthio)methyl]-1H-indole-3-carboxylate; HY-14904; D10558; AB00644670_06; A888382; Q27271599; 1H-indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester, hydrochloride; 5674-91-9; 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester; 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester; 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester; 6-Bromo-5-hydroxy-4-methylaminomethyl-1-methyl-2-benzenesulfenylmethylindole-3-ethyl carboxylate; ethyl 6-bromanyl-4-[(dimethylamino)methyl]-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate; ethyl 6-bromo-5-hydroxy-4-dimethylaminomethyl-1-methyl-2-phenylthiomethylindole-3-carboxilate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:134730	.	.	.	477.4	C22H25BrN2O3S	80	546	4.4	29	1	5	8	"1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3"	CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3	KCFYEAOKVJSACF-UHFFFAOYSA-N
DG01006	Nepafenac	151075	"Nepafenac; 78281-72-8; Nevanac; 2-(2-Amino-3-benzoylphenyl)acetamide; 2-Amino-3-benzoylbenzeneacetamide; Ilevro; AL 6515; AHR 9434; AHR-9434; AL-6515; Benzeneacetamide, 2-amino-3-benzoyl-; UNII-0J9L7J6V8C; CHEBI:75922; 0J9L7J6V8C; MFCD08067732; AHR 9434;AL 6515; NCGC00185741-01; DSSTox_CID_28564; DSSTox_RID_82836; DSSTox_GSID_48638; Amfenac amide; SMR002529588; CAS-78281-72-8; nepafenaco; nepafenacum; Nepafena; Nepafenac [USAN:INN:BAN:JAN]; 2-amino-3-benzoyl-benzeneacetamide; Nevanac (TN); 2-(2-amino-3-benzoyl-phenyl)acetamide; 2-[2-amino-3-(benzoyl)phenyl]acetamide; CHEMBL1021; SCHEMBL93835; MLS003915618; MLS004774140; MLS006010644; Nepafenac (JAN/USAN/INN); GTPL7564; DTXSID0048638; Nepafenac, >=98% (HPLC); 2-Amino-3-benzoyl-phenylacetamide; HMS3654P07; HMS3884E07; ACT02914; AMY10899; BCP21333; EX-A1350; WZB81453; ZINC5162311; Tox21_112985; BDBM50228731; s1255; STL451069; AKOS005146108; Tox21_112985_1; AC-6949; CCG-267004; CS-0899; DB06802; NCGC00185741-02; 2-(2-Amino-3-benzoyl-phenyl)-acetamide; AS-19176; HY-17357; 2-Amino-3-benzoylbenzeneacetamide;Nepafenac; FT-0603701; N0932; SW219197-1; X5012; 2-[2-amino-3-(phenylcarbonyl)phenyl]acetamide; A26218; D05143; AB01274763-01; AB01274763_02; 281N728; A890381; Q684379; SR-01000931908; J-507774; SR-01000931908-2; BRD-K04112579-001-02-1; 2-Amino-3-benzoylbenzeneacetamide / 2-(2-Amino-3-benzoylphenyl)acetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75922	DB06802	.	.	254.28	C15H14N2O2	86.2	337	1.9	19	2	3	4	"1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)"	C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N	QEFAQIPZVLVERP-UHFFFAOYSA-N
DG01008	Peramivir	154234	"Peramivir; 330600-85-6; Rapiacta; BCX-1812; 229614-55-5; RWJ-270201; UNII-9ZS94HQO3B; RAPIVAB; CHEBI:85202; BCX1812; BCX 1812; RWJ270201; (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid; RWJ 270201; 9ZS94HQO3B; (1S,2S,3R,4R)-3-((S)-1-Acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylic acid; 330600-85-6 (free); (1S,2S,3R,4R)-4-carbamimidamido-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid; 229614-56-6; 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID; 3-(1'-acetylamino-2'-ethyl)butyl-4-((aminoimino)methyl)amino-2-hydroxycyclopentane-1-carboxylic acid; BCZ; Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-, (1S,2S,3R,4R)-; (+/-)-Peramivir; Peramivir [USAN:INN]; PeramiFlu; S-021812; Peramivir anhydrous; Cyclopentanecarboxylic acid, 3-((1S)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1S,2S,3R,4R)-; Peramivir, (+/-)-; SCHEMBL744373; BDBM5024; CHEMBL139367; SCHEMBL12795462; DTXSID10904727; BCPP000117; (1S,2R,3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-(diaminomethylideneamino)-2-hydroxy-cyclopentane-1-carboxylic acid; ZINC3981610; BDBM50181441; HY-17015A; MFCD09837902; AKOS016007760; AKOS037652424; CS-0638; DB06614; DT-0029; NCGC00346433-06; NCGC00346433-07; (1s,2s,3r,4r)-3-((1s)-1-acetylamino-2-ethylbutyl))-4-((aminoiminomethyl)amino)-2-hydroxycyclopentane; (1S,2S,3R,4R)-3-((S)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentane-1-carboxylic acid; AC-22715; Cyclopentanecarboxylic acid, 3-((1R)-1-(acetylamino)-2-ethylbutyl)-4-((aminoiminomethyl)amino)-2-hydroxy-, (1R,2R,3S,4S)-rel-; W19713; AB01566838_01; 600P856; A896277; Q412734; (-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}-2-hydroxycyclopentanecarboxylic Acid; (1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxycyclopentanecarboxylic acid trihydrate; (1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid; (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid; (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentane-1-carboxylic acid; (1S,2S,3S,4R)-4-[(DIAMINOMETHYLIDENE)AMINO]-3-[(1S)-1-ACETAMIDO-2-ETHYLBUTYL]-2-HYDROXYCYCLOPENTANE-1-CARBOXYLIC ACID"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85202	DB06614	.	.	328.41	C15H28N4O4	151	460	0	23	5	5	7	"1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1"	CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C	XRQDFNLINLXZLB-CKIKVBCHSA-N
DG01010	Cinacalcet	156419	"Cinacalcet; 226256-56-0; AMG 073; AMG073; (R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; AMG-073; UNII-UAZ6V7728S; Parareg; N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; UAZ6V7728S; CHEBI:48390; N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; N-((1R)-1-(1-Naphthyl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine; N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; N-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine; (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine; CNC; Cinacalcet (USAN); KRN-1493; NCGC00181002-01; Cinacalcet [USAN:INN:BAN]; C22H22F3N; HSDB 7318; KRN1493; SCHEMBL71876; GTPL3308; CHEMBL1201284; DTXSID8048286; ACT06726; AMY13665; BCP07181; ZINC1550499; BDBM50416875; s5191; AKOS015909821; AC-8974; CS-0287; DB01012; NCGC00181002-02; NCGC00181002-03; NCGC00181002-05; BS-16242; HY-70037; X7255; D03504; AB01274759-01; AB01274759_02; 256C560; Q193978; J-520046; (R)-N-(3-(3-trifluoromethylphenyl)propyl)-1-(1-naphthyl)ethylamine; [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine; 1-Naphthalenemethanamine, alpha-methyl-N-(3-(3-(trifluoromethyl)phenyl)propyl)-, (alphaR)-; 1025064-29-2; YP4"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:48390	DB01012	.	.	357.4	C22H22F3N	12	422	6.1	26	1	4	6	"1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1"	C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F	VDHAWDNDOKGFTD-MRXNPFEDSA-N
DG01011	Lactitol	157355	"Lactitol; 585-86-4; 4-O-beta-D-Galactopyranosyl-D-glucitol; Importal; D-lactitol; lactitolum; Lacitol; Lactosit; Miruhen; Lactit; UNII-L2B0WJF7ZY; L2B0WJF7ZY; NSC 231323; D-Lactitol monohydrate; CHEBI:75323; NSC-231323; lactositol; D-Glucitol, 4-O-beta-D-galactopyranosyl-; 81025-04-9; DSSTox_CID_24247; DSSTox_RID_80133; DSSTox_GSID_44247; lactobiosit; Emportal; Oponaf; (2S,3R,4R,5R)-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol; CAS-585-86-4; LACTITOL ANHYDROUS; MFCD00150767; Lactitolum [INN-Latin]; Lactitol [INN:BAN:NF]; Floralac; Milchen; Portolac; CCRIS 7077; Finlac dc; Lactosit Miruhen; NSC231323; HSDB 7970; NSC-759131; Lactitol acm 50; NCGC00166295-01; Importal (TN); Lacty (saccharide); EINECS 209-566-5; Pizensy (TN); Lactitol (NF/INN); SCHEMBL3849; CHEMBL1661; Lactitol, analytical standard; INS NO.966; DTXSID9044247; BLI-400; INS-966; HMS3264E13; Pharmakon1600-01301027; HY-N7104; ZINC5225520; Tox21_112397; MFCD00079407; NSC760415; s5368; 4-beta-D-galactopyranosyl-D-glucito1; AKOS030228540; Tox21_112397_1; CCG-213712; DB12942; NSC-760415; NCGC00263893-02; (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol; 4-O-b-D-Galactopyranosyl-D-glucitol, 9CI; beta-D-galactopyranosyl-(1->4)-D-glucitol; CS-0069039; E-966; A11574; D08266; AB00698230_06; Q415020; W-109090; BRD-K40787673-001-02-1; 262A7827-24F7-47EE-B528-3AF52CA860CE; WURCS=2.0/2,2,1/[h2122h][a2112h-1b_1-5]/1-2/a4-b1; (2S,3R,4R,5R)-4-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)hexane-1,2,3,5,6-pentaol; (2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:75323	DB12942	.	.	344.31	C12H24O11	201	343	-5.2	23	9	11	8	"1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1"	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O	VQHSOMBJVWLPSR-JVCRWLNRSA-N
DG01013	Plicamycin	163659	"MITHRAMYCIN; plicamycin; Mithracin; mithramycin a; Aureolic acid; Mithramycinum; 18378-89-7; Mithramycine; Plicamycine; Plicamycinum; Mitramycin; UNII-NIJ123W41V; Aurelic acid; CHEBI:31856; Antibiotic LA 7017; CHEMBL257619; NIJ123W41V; Mitramycine; Mitramycinum; Aurlelic acid; Plicamycine [French]; Plicamycinum [Latin]; Plicamicina [Spanish]; A-2371; Mitramicina; Plicamicina; Plicamycine [INN-French]; Plicamycinum [INN-Latin]; Mithramycine [INN-French]; Mithramycinum [INN-Latin]; Mitramicina [INN-Spanish]; Plicamicina [INN-Spanish]; CCRIS 5629; HSDB 3238; SR-05000002335; NSC 24559; PA 144; PA-144; Mithracin (TN); Plicamycin [USAN:USP:INN:BAN]; MITHRAMYCINA; Plicamycin (USAN/INN); SCHEMBL4517; GTPL8394; HY-A0122; BDBM50547623; DB06810; 97666-60-9; CS-0014261; D00468; SR-05000002335-2; SR-05000002335-3; (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose; (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose; D-threo-2-Pentulose, 5-deoxy-1-C-((2S,3S)-7-((2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl)oxy)-3-((O-2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1.fwdarw.3)-O-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31856	DB06810	DR01399	.	1085.1	C52H76O24	358	1940	0.6	76	11	24	15	"1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1"	C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	CFCUWKMKBJTWLW-BKHRDMLASA-N
DG01020	Colistimethate	216258	"Colistimethate; Sodium colistin methanesulfonate; Colistin sodium methanesulfonate; Colistin Sulfomethate; Colimycin M; Sodium colistimethate; Colistinmethanesulfonic acid; Colistrimethate sodium; Colymycin M; Coly-Mycin M; 12705-41-8; Colimyscine; Colimicina; Coly-mycin injectable; Colistin sulfomethate sodium; Coly-Mycin M Parenteral; Sodium colistinemethanesulfonate; Colistinemethanesulfonate sodique; Pentasodium colistinmethanesulfonate; pentasodium;[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfonatomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfonatomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfonatomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonate; EINECS 232-516-9; Colistinmethanesulfonic acid, sodium salt; Colistimethate sodium [USAN:USP:INN:BAN]; Colistinmethanesulfonic acid (VAN); NSC 756688; 8068-37-9; SW222239-1"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01111	.	.	1749.8	C58H105N16Na5O28S5	749	3430	.	112	18	33	39	"1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5"	CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]	IQWHCHZFYPIVRV-UHFFFAOYSA-I
DG01021	Lasofoxifene	216416	"Lasofoxifene; 180916-16-9; rac-Lasofoxifene; Oporia; CP 336156; (5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; CP-336,156; 180915-78-0; Fablyn; UNII-337G83N988; CHEMBL328190; (-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol; 337G83N988; (5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol; (5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol; (5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R,6S)-; 180915-85-9; Lasofoxifene [INN:BAN]; LASOFOXIFENE HCL; CP-336156; lasofoxifeno; lasofoxifenum; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S)-; C3D; SCHEMBL26815; GTPL7542; BDBM20606; DTXSID50171037; CHEBI:135938; BCP03626; ZINC3918428; AKOS030241621; BCP9000842; DB06202; NCGC00487269-02; BCP0726000177; 916L169; Q644675; J-011550; (-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol.; cis-6-Phenvl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; cis-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; cis-6-Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; cis-6Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol; (-)-cis-(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol; 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R-cis)-; Rel-(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135938	DB06202	.	.	413.5	C28H31NO2	32.7	533	6.1	31	1	3	6	"1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1"	C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5	GXESHMAMLJKROZ-IAPPQJPRSA-N
DG01022	Santonin	221071	"Santonin; alpha-Santonin; 481-06-1; (-)-alpha-Santonin; Semenen; Santoninic anhydride; Santoninum; (-)-Santonine; UNII-1VL8J38ERO; (-)-Santonin; NSC4900; 1VL8J38ERO; CHEBI:16363; .alpha.-Santonin; NSC-4900; MFCD00135865; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione; DSSTox_CID_25312; DSSTox_RID_80795; DSSTox_GSID_45312; NSC 4900; a-Santonin; l-.alpha.-Santonin; L-alpha-Santonin; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione; (-)-.alpha.-Santonin; Santonin [JAN:NF]; SR-01000635568; NCGC00016461-01; Santonin (TN); CAS-481-06-1; naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; ()-alpha-Santonin; EINECS 207-560-7; NSC 41311; SANTONINE; Santonin (JP17); Spectrum_000790; SpecPlus_000318; AI3-19471; Prestwick0_001070; Prestwick1_001070; Prestwick2_001070; Prestwick3_001070; Spectrum2_000699; Spectrum3_001245; Spectrum4_001476; Spectrum5_000151; UPCMLD-DP084; BSPBio_001060; BSPBio_002750; KBioGR_002051; KBioSS_001270; SPECTRUM300542; MLS002154141; DivK1c_006414; SPBio_000857; SPBio_002970; alpha-Santonin; (-)-Santonin; BPBio1_001166; CHEMBL259254; MEGxp0_001636; SCHEMBL1133565; DTXSID7045312; UPCMLD-DP084:001; KBio1_001358; KBio2_001270; KBio2_003838; KBio2_006406; KBio3_002250; (-)-alpha-Santonin, >=99%; HMS1571E22; HMS2098E22; HMS2268H12; HY-B1761; Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-; ZINC3881689; Tox21_110445; CCG-40021; s3999; 11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone; AKOS015895177; Tox21_110445_1; LMPR0103190001; MCULE-4974199679; SDCCGMLS-0066491.P001; (3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion; (3S,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-; Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; (-)-alpha-Santonin, analytical standard; NCGC00161640-01; NCGC00161640-02; NCGC00161640-03; NCGC00263447-01; SMR000112520; AB00376930; CS-0013789; S0521; C02206; D00154; WLN: T B566 COV LV IHTT&J E1 I1 M1; A827469; Q413166; SR-01000635568-1; SR-01000635568-4; SR-01000635568-5; BRD-K58787433-001-05-4; BRD-K58787433-001-08-8; BRD-K58787433-001-12-0; Santonin, European Pharmacopoeia (EP) Reference Standard; 11-Epiisoeusantona-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone; 3-(6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)PROPANOICACID; Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-; (11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone; 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone; Eudesma-1, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-(-)-; Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-; 3a,5,5a,9b-Tetrahydro-3,5a,9-trimethyl-naphtho[1,2-b]puran-2,8(3H,4H)-dione; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-; Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-;; (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione; (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione; (3S,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione; 1,3,4,4a,7-Hexahydro-1-hydroxy-.alpha., 4a,8-trimethyl-7-oxo-2-naphthaleneacetic acid .gamma.-lactone; Naphtho[1,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16363	.	.	.	246.3	C15H18O3	43.4	500	2.3	18	0	3	0	"1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1"	C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	XJHDMGJURBVLLE-BOCCBSBMSA-N
DG01025	Rosoxacin	287180	"ROSOXACIN; Acrosoxacin; 40034-42-2; Eradacil; Winuron; Roxadyl; Rosoxacine; Rosoxacinum; Win 35,213; Eracine; Rosoxacine [INN-French]; Rosoxacino [INN-Spanish]; 1-Ethyl-4-oxo-7-(4-pyridyl)-1,4-dihydroquinoline-3-carboxylic Acid; 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid; UNII-3Y1OT3J4NW; 1-ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid; WIN 35213; 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylic acid; 3Y1OT3J4NW; 3-Quinolinecarboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-; Rosoxacino; Eradacin; MFCD00057294; NSC146617; NSC-146617; Rosoxacinum [INN-Latin]; Roxadyl (TN); Rosoxacin (USAN/INN); EINECS 254-758-4; NSC 146617; rosoxacina; Eradicin; Winoxacin; Rosoxacin [USAN:INN:BAN]; Win-35123; PD 107522; Oprea1_128096; SCHEMBL135645; CHEMBL291157; ZINC2042; DTXSID90193091; Win-35,213; CHEBI:131715; HY-A0208; AC1324; WIN-35213; DB00817; CS-12131; DA-06177; SY038205; CS-0017556; FT-0722899; D02305; Q754690; 1-ethyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,4-dihydro-4-oxo-7-(4-pyridinyl)-; 1-Ethyl-4-oxo-7-(4-pyridinyl)-1,4-dihydro-3-quinolinecarboxylic acid, AldrichCPR"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131715	DB00817	.	.	294.3	C17H14N2O3	70.5	482	0.6	22	1	5	3	"1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)"	CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O	XBPZXDSZHPDXQU-UHFFFAOYSA-N
DG01031	Griseofulvin	441140	"Griseofulvin; 126-07-8; (+)-Griseofulvin; Amudane; Grisactin; Grisefuline; Griseofulvinum; Griseofulvina; Grizeofulvin; Grifulvin; Grisofulvin; Spirofulvin; Fulcin; Grysio; Lamoryl; Likuden; Fulvicin; Griseofulvine; Poncyl; Curling factor; Grisovin; Griseofulvine [INN-French]; Griseofulvinum [INN-Latin]; Griseofulvina [INN-Spanish]; GRISEOFULVIN, MICROCRYSTALLINE; Delmofulvina; Fulvistatin; Griscofulvin; Fulcine; Fulvina; Fulvinil; Fungivin; Greosin; Gresfeed; Grifulin; Grisactin V; Grisetin; Guservin; Murfulvin; Neo-Fulcin; Biogrisin-FP; Fulvican grisactin; Griseofulvin-forte; Fulvicin-P/G; Fulvicin-U/F; GRISEOFULVIN, ULTRAMICROCRYSTALLINE; Griseofulvin microsize; Xuanjing; C17H17ClO6; UNII-32HRV3E3D5; MFCD00082343; GRISEOFULVIN, ULTRAMICROSIZE; USAF SC-2; Griseomix; Grisactin Ultra; Griseofulvin forte; Fulvicin P/G; 32HRV3E3D5; CHEBI:27779; NSC-755822; (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; NCGC00091120-01; DSSTox_CID_674; NSC 34533; DSSTox_RID_75725; DSSTox_GSID_20674; (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione; ULTRAGRIS-165; ULTRAGRIS-330; Fulvicin Bolus; Fulvicin-U/F (Veterinary); Fulvicin Bolus (Veterinary); FULVICIN P/G 165; FULVICIN P/G 330; 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione; Caswell No. 471B; Fulvidex; (1'S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; SMR000718755; CCRIS 320; HSDB 1722; SR-05000001535; EINECS 204-767-4; EPA Pesticide Chemical Code 471400; Griseofulvin and Alpha-IFN; BRN 0095226; Griseoflulvin; GRISEOFULVIN, MICROSIZE; AI3-51015; fulvicin UF; NSC-34533; Griseofulvin,(S); Griseofulvin [USP:INN:BAN:JAN]; (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methyl-spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; Prestwick_247; Grisactin V (TN); Gris-peg (TN); Griseofulvin,microsize; Spectrum_000816; CPD000718755; SpecPlus_000336; Prestwick3_000226; Spectrum2_000213; Spectrum3_000161; Spectrum4_000927; Spectrum5_000648; Griseofulvin [USP:INN]; CHEMBL562; 7-Chloro-2',4,6-trimethoxy-6'beta-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 7-Chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1'-(2'-methoxy-6'-methylcyclohex-2'-en-4'-one); SCHEMBL21988; BSPBio_000271; BSPBio_001621; KBioGR_001454; KBioSS_001296; SPECTRUM200046; (2S-trans)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 5-18-05-00150 (Beilstein Handbook Reference); MLS001304062; MLS002152905; MLS002154239; Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (2S-trans)-; BIDD:GT0024; DivK1c_000154; DivK1c_006432; Griseofulvin (JAN/USP/INN); SPBio_000225; BPBio1_000299; MEGxm0_000184; DTXSID8020674; ACon0_000953; ACon1_001843; BDBM31775; Fulvicin-U/F Powder and Tablets; HMS500H16; KBio1_000154; KBio1_001376; KBio2_001296; KBio2_003864; KBio2_006432; KBio3_001121; Griseofulvin permeability diameter; NINDS_000154; HMS1923E09; HMS2091A03; HMS2095N13; HMS2235F13; HMS3259D05; HMS3712N13; interacts with polymerized microtubules and associated proteins; Pharmakon1600-00200046; ZINC622123; 2884-22-2; Tox21_111087; Tox21_202235; Tox21_303005; CCG-38416; LMPK13060001; NSC755822; s4071; AKOS015896380; Tox21_111087_1; CS-3426; DB00400; MCULE-1983595404; NC00616; SDCCGMLS-0066450.P001; IDI1_000154; NCGC00091120-02; NCGC00091120-03; NCGC00091120-04; NCGC00091120-05; NCGC00091120-06; NCGC00091120-07; NCGC00091120-08; NCGC00091120-09; NCGC00091120-13; NCGC00256353-01; NCGC00259784-01; (1'S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; (1'S-trans)- 7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2(3H),1'-cyclohex-2'-ene)-3,4'-dione; AS-13736; BT164513; HY-17583; M542; Griseofulvin 100 microg/mL in Acetonitrile; G0384; EN300-52615; BIM-0051396.0001; C06686; D00209; J10209; AB00052005_07; Griseofulvin, VETRANAL(TM), analytical standard; Q416096; SR-01000837512; Griseofulvin, Antibiotic for Culture Media Use Only; Q-201178; SR-01000837512-2; SR-05000001535-1; SR-05000001535-3; SR-05000001535-4; BRD-K08273968-001-05-9; BRD-K08273968-001-09-1; BRD-K08273968-001-19-0; Z1258578352; Griseofulvin, British Pharmacopoeia (BP) Reference Standard; Griseofulvin, from Penicillium griseofulvum, 97.0-102.0%; Griseofulvin, European Pharmacopoeia (EP) Reference Standard; Griseofulvin, United States Pharmacopeia (USP) Reference Standard; Griseofulvin Permeability Diameter, United States Pharmacopeia (USP) Reference Standard; Griseofulvin, Pharmaceutical Secondary Standard; Certified Reference Material; (2S)-trans-7-Chloro-2',4,6-trimethoxy-6'-methylspiro(benzofuran-2[3H],1'-[2]cyclohexene)-3,4'-dione; 107912-37-8; 7-Chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1',- [2]cyclohexene]-3,4'-dione"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:27779	DB00400	.	DR0791	352.8	C17H17ClO6	71.1	575	2.2	24	0	6	3	"1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1"	C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC	DDUHZTYCFQRHIY-RBHXEPJQSA-N
DG01033	Mometasone	441335	"Mometasone; 105102-22-5; (+)-Mometasone; Mometasonum; Mometasona; CHEBI:6970; (8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; UNII-8HR4QJ6DW8; 8HR4QJ6DW8; Mometasone (INN); Mometasonum [Latin]; Mometasona [Spanish]; mometazone; Mometasone, nasal; Elocon (topical); Mometasone, inhaled; Mometasone, topical; Mometasone [INN:BAN]; SCHEMBL4485; GTPL9029; CHEMBL1201404; DTXSID10872412; ZINC4097440; BDBM50237628; DB00764; 9,21-dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione; C07816; D08227; 102M225; A902140; Q28208887; 9a,21-Dichloro-11b,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione; 9,21-Dichloro-11beta,17-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione (Mometasone); (1R,2S,10S,11S,13R,14R,15S,17S)-1-chloro-14-(2-chloroacetyl)-14,17-dihydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6970	DB00764	.	.	427.4	C22H28Cl2O4	74.6	806	2.7	28	2	4	2	"1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)Cl)C	QLIIKPVHVRXHRI-CXSFZGCWSA-N
DG01035	Tolterodine	443879	"Tolterodine; 124937-51-5; Detrusitol; (+)-Tolterodine; Tolterodinum; Tolterodine tartrate; (R)-(+)-Tolterodine; Kabi 2234; Urotrol; Detrol; S-(-)-Tolterodine; Tolterodinum [INN-Latin]; UNII-WHE7A56U7K; Tolterodina [INN-Spanish]; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; CHEMBL1382; WHE7A56U7K; Tolterodine L-Tartrate; CHEBI:9622; 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; (+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol; Tolterodine [INN]; NCGC00159519-02; Unidet; DSSTox_CID_3687; Phenol, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-; DSSTox_RID_77147; DSSTox_GSID_23687; (r)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-methylphenol; SMR000596518; CAS-124937-51-5; MFCD07771985; PHA-686464B; PNU 200583; tolterodin; (R)-2-[3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol; Tolterodine [USAN:INN:BAN]; 2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol; (R)-2,3-BIS(1-METHYLETHYL)AMINO-1-PHENYLPROPYL-4-METHYLPHENOL; Phenol, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-; TolterodineL-tartrate; Tolterondine Tartrate; 2-[3-[Bis(1-Methylethyl)Amino]-1-Phenylpropyl]-4-Methyl Phenol Monohydrobromide; Tolterodine (USAN/INN); SCHEMBL3064; GTPL360; MLS001195620; MLS001304745; BIDD:GT0318; DTXSID3023687; HMS2230E24; ZINC968336; ACT04387; AMY17772; HY-A0024; tolterodine extended release capsules; Tox21_111737; 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol; BDBM50165008; AKOS015841711; AKOS015895578; Tox21_111737_1; AC-3472; CS-1799; DB01036; KS-5165; NCGC00159519-04; NCGC00263557-01; C07750; D00646; H10328; AB00698547-12; AB00698547_13; 937T515; Q424312; J-005184; Q-200223; 2-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; 2-[(1r)3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol; (+)-(R)-3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropylamine; 2-[(1R)-3-[BIS(1-METHYLETHYL)AMINO]-1-PHENYLPROPYL]-4-METHYL-PHENOL TARTRATE"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:9622	DB01036	.	.	325.5	C22H31NO	23.5	340	5.6	24	1	2	7	"1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1"	CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2	OOGJQPCLVADCPB-HXUWFJFHSA-N
DG01037	Halcinonide	443943	"Halcinonide; 3093-35-4; Halciderm; Halcimat; Halog; Halcinonida; UNII-SI86V6QNEG; SQ 18566; SI86V6QNEG; Halcort; DSSTox_CID_25375; DSSTox_RID_80836; DSSTox_GSID_45375; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one; (4R,8S)-8-(2-Chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one; SQ-18,566; Betacorton; Halcinonidum; HALOG-E; Ascochrom; Volog; SQ-18566; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one; Halcinonidum [INN-Latin]; Halcinonida [INN-Spanish]; C24H32ClFO5; NSC-758413; NCGC00016621-01; (11 ,16 )-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione; CAS-3093-35-4; EINECS 221-439-6; Prestwick_1069; Halog (TN); BRN 1358242; Halcinonide [USAN:USP:INN:BAN:JAN]; Prestwick0_000655; Prestwick1_000655; Prestwick2_000655; Prestwick3_000655; SCHEMBL4335; BSPBio_000689; 5-19-06-00301 (Beilstein Handbook Reference); MLS002153935; Halcinonide (JAN/USP/INN); SPBio_002610; BPBio1_000759; CHEMBL1200845; DTXSID6045375; CHEBI:31663; HMS1570C11; HMS2097C11; HMS2230O07; HMS3714C11; HY-B0877; ZINC4213474; Tox21_110530; s4098; AKOS015962797; Tox21_110530_1; AC-1114; AC-1774; CCG-220655; DB06786; NSC 758413; N6-(Trifluoroacetyl)-L-lysyl-L-proline; NCGC00179475-01; NCGC00179475-03; 21-Chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone; AS-74757; P753; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-; SMR001233277; SO 18566; SO-18566; C74589; D01308; 093H354; Q425991; Q-201180; BRD-K81709173-001-03-8; Halcinonide, United States Pharmacopeia (USP) Reference Standard; (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-CHLOROACETYL)-12-FLUORO-11-HYDROXY-6,6,9,13-TETRAMETHYL-5,7-DIOXAPENTACYCLO[10.8.0.0(2), .0 , .0(1)(3),(1) ]ICOS-17-EN-16-ONE; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic16,17-acetal with acetone; Pregn-4-ene-3,20-dione,21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31663	DB06786	.	DR0798	455	C24H32ClFO5	72.8	887	3.6	31	1	6	2	"1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F	MUQNGPZZQDCDFT-JNQJZLCISA-N
DG01039	Tibolone	444008	"Tibolone; 5630-53-5; Liviella; Livial; Tibolona; Tibolonum; Xyvion; Org OD 14; Boltin; UNII-FF9X0205V2; (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; 17-Hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one; CHEBI:32223; FF9X0205V2; (1S,9R,10R,11S,14R,15S)-14-ethynyl-14-hydroxy-9,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-one; DSSTox_CID_3667; (7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one; DSSTox_RID_77135; DSSTox_GSID_23667; 17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one; (17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one; (7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one; CAS-5630-53-5; Tibolonum [INN-Latin]; Tibolona [INN-Spanish]; Tibolone [USAN:INN:BAN]; Tibofem; NSC-759898; NCGC00164632-01; EINECS 227-069-1; Org-OD14; SCHEMBL41172; Tibolone (JAN/USAN/INN); MLS001424234; ORG-OD 14; GTPL9711; CHEMBL2103774; DTXSID5023667; HMS2052K21; HMS2090B10; HMS2232B13; HMS3649J14; HMS3712J15; ZINC3812889; Tox21_112250; KB-889; AKOS015963197; Tox21_112250_1; CCG-101148; DB09070; GS-3562; NC00398; NSC 759898; NCGC00164632-02; (7beta,8xi,9beta,13alpha,14beta,17alpha)-17-ethynyl-17-hydroxy-7-methylestr-5(10)-en-3-one; AC-20036; AC-31722; CPD000469219; H052; SMR000469219; D01639; T-3854; AB00698273-05; 630T535; Q413805; SR-01000763531; SR-01000946727; SR-01000763531-3; SR-01000946727-1; 17.alpha.-Hydroxy-7.alpha.-methyl-19-norpregn-5(10)-en-20-yn-3-one; 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7alpha,17alpha)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32223	DB09070	.	DR1590	312.4	C21H28O2	37.3	636	2.4	23	1	2	1	"1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1"	C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O	WZDGZWOAQTVYBX-XOINTXKNSA-N
DG01042	Cerivastatin	446156	"Cerivastatin; Baycol; cerivastatin acid; 145599-86-6; Lipobay; UNII-AM91H2KS67; AM91H2KS67; CHEBI:3558; (3R,5S,6E)-7-(4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-(4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; (3R,5S,E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid; 143201-11-0; [S-[R*,S*-(E)]]-7-[4-(4-fluorophenyl)-5-methoxymethyl)-2,6bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoate; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (3R,5S,6E)-; 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, (3R,5S,6E)-; Cerivastatin [INN:BAN]; Cervastatin; Cerivastatin sodium salt hydrate; HSDB 7357; (3R,5S,6E)-7-{4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-5-[(methyloxy)methyl]pyridin-3-yl}-3,5-dihydroxyhept-6-enoic acid; 159813-78-2; Cerivastatin (INN); CHEMBL1477; SCHEMBL16346; SCHEMBL16347; BIDD:GT0367; GTPL2950; DTXSID9022786; BDBM18376; CHEBI:94755; HMS2089B11; ZINC11330186; DB00439; (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-; HY-129458; CS-0105635; C07966; D07661; AB01275453-01; 599C866; Q423439; SR-01000763520; SR-01000763520-3; BRD-K81169441-236-04-1; (3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid; rel-(3R,5S,E)-7-(4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid; rel-(3R,5S,E)-7-(4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoicacid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3558	DB00439	DR00391	.	459.5	C26H34FNO5	99.9	620	3.6	33	3	7	11	"1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1"	CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O	SEERZIQQUAZTOL-ANMDKAQQSA-N
DG01046	Diethylstilbestrol	448537	"Diethylstilbestrol; 56-53-1; Stilbestrol; Stilboestrol; Distilbene; Agostilben; Estrobene; Estromenin; Stilboestroform; Antigestil; Palestrol; Stilbetin; Synestrin; Vagestrol; Fonatol; Diethylstilbesterol; Menostilbeen; Oestrogenine; Oestromensyl; Oestromienin; Stilbestrone; Synthoestrin; Comestrol; Cyren A; Domestrol; Dyestrol; Estrosyn; Grafestrol; Iscovesco; Microest; Milestrol; Oestromenin; Pabestrol; Sexocretin; Stilboefral; Stilbofolin; Synthofolin; Syntofolin; Diastyl; Makarol; Micrest; Serral; Stilkap; Bufon; Cyren; Desma; Sibol; OeKolp; Dawe's destrol; Hi-Bestrol; Di-Estryl; Dietilestilbestrol; Neo-Oestranol I; Rumestrol 1; Rumestrol 2; Stil-Rol; Acnestrol; Climaterine; Dibestrol; Dicorvin; Gynopharm; Idroestril; Oestromensil; Oestromon; Protectona; Sedestran; Sintestrol; Stibilium; Tylosterone; Comestrol estrobene; Stilbol; Diethylstilboesterol; Oestrol vetag; trans-Diethylstilbestrol; DiBestrol 2 Premix; Bio-des; Estilbin MCO; (E)-Diethylstilbestrol; STIL; neo-Oestranol 1; Tampovagan stilboestrol; DES; Dibestrol '2' premix; trans-Diethylstilbesterol; Synthestrin; trans-Diethylstilboesterol; DES (synthetic estrogen); Stilbestrol, diethyl-; (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene; New-Estranol 1; Diethylstilbestrolum; Percutatrine oestrogenique iscovesco; (E)-4,4'-(hex-3-ene-3,4-diyl)diphenol; 4,4'-Dihydroxydiethylstilbene; Rcra waste number U089; 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol; diethylstilbestrol (DES); 6898-97-1; NSC-3070; Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-; 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol; cis-Des; (E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol; UNII-731DCA35BT; Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol; 4,4'-Dihydroxy-alpha,beta-diethylstilbene; alpha,alpha'-Diethyl-(E)-4,4'-stilbenediol; CHEMBL411; 4,4'-(Hex-3-ene-3,4-diyl)diphenol; 731DCA35BT; Tampovagan; Destrol; CHEBI:41922; Estril; .alpha.,.alpha.'-Diethylstilbenediol; Diethyl stilbestrol; E-Diethylstilbestrol; strobene; Diaethylstilboestrolum; Estrogenine; Stilbestroform; cis-Diethylstilbesterol; Diethylstilbestrol, mixture of cis and trans; DSSTox_CID_465; 3,4-Bis(p-hydroxyphenyl)-3-hexene; Dietilstilbestrolo; DSSTox_RID_75608; DSSTox_GSID_20465; Dietilstilbestrolo [DCIT]; Dietilestilbestrol [Spanish]; 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, (E)-; Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-; alpha,alpha'-Diethylstilbenediol; Diethylstilbestrolum [INN-Latin]; Dietilestilbestrol [INN-Spanish]; MFCD00002373; Stilbestrol (TN); MG 137; SMR000058263; CCRIS 240; Estilbin ''MCO''; HSDB 3060; SR-01000745070; EINECS 200-278-5; RCRA waste no. U089; BRN 2056095; Stilbestro; Bertrol; Diethylstilbestrol (USP/INN); TRANS-DIETHYSTILBESTEROL; cis-alpha,alpha'-Diethyl-4,4'-stilbenediol; 4,4'-(3-HEXENE-3,4-DIYL)DIPHENOL; 3erd; CAS-56-53-1; NCGC00090749-04; Diethylstilbestrol [USP:INN:BAN]; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)-; Prestwick_1070; (Z)-4,4'-(1,2-Diethyl-1,2-ethylenediyl)bisphenol; Phenol 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; trans-Diethyl Stilbestrol; Diethylstilbestrol [Nonsteroidal oestrogens]; Prestwick2_000756; Prestwick3_000756; Spectrum5_000799; 4, 2,2'-diethyl-; SCHEMBL9223; BSPBio_000772; BSPBio_002201; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (Z)-; MLS000028447; MLS002174252; MLS002222298; BIDD:ER0159; SPECTRUM1500244; 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol; BPBio1_000850; GTPL2801; trans-.alpha.,4'-stilbenediol; ZINC1290; 4, .alpha.,.alpha.-diethyl-; 4-[(E)-1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenol; DTXSID3020465; REGID_for_CID_448537; BDBM20625; CHEBI:92795; HMS501J21; RGLYKWWBQGJZGM-ISLYRVAYSA-; 4, .alpha.,.alpha.'-diethyl-; NSC3070; WLN: QR DY2&UY2&R DQ; 3,4'-Dihydroxyphenyl)hex-3-ene; HMS1570G14; HMS1920G08; HMS2090C14; HMS2091M18; HMS2097G14; HMS2232N11; HMS3650A09; HMS3714G14; Pharmakon1600-01500244; 3-Hexene,4-bis(p-hydroxyphenyl)-; NSC 3070; Tox21_202407; Tox21_300526; CCG-38961; Diethylstilbestrol, >=99% (HPLC); NSC756736; Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (Z)- (9CI); s1859; STK366318; 3,4-Bis(4-hydroxyphenyl)-3-hexene; AKOS005111142; DIETHYLSTILBESTROL (diethylstilbestr; 4,2-Diethyl-1,2-ethenediyl)bisphenol; DB00255; NSC-756736; IDI1_000519; NCGC00090749-01; NCGC00090749-02; NCGC00090749-03; NCGC00090749-05; NCGC00090749-06; NCGC00090749-07; NCGC00090749-08; NCGC00090749-09; NCGC00090749-15; NCGC00254539-01; NCGC00259956-01; 4, .alpha.,.alpha.'-diethyl-, (E)-; AS-13377; HY-14598; I027; LS-14649; Diethylstilbestrol,mixture of cis and trans; SBI-0051346.P003; 3,4-Bis(p-hydroxyphenyl)-3-hexene, trans; CS-0369240; D0526; SW197137-4; .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol; 3,4-(Di-4-hydroxyphenyl)hex-3-ene, (E)-; 3-Hexene,3,4-bis(p-hydroxyphenyl)-, (E)-; 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene; C07620; D00577; D81873; .alpha.,.alpha.'-Diethyl-(E)-4,4'-stilbenediol; 002D373; A831077; Diethylstilbestrol, mixture of cis and trans, 97%; Q423989; SR-01000745070-3; SR-01000745070-4; SR-01000745070-5; SR-01000745070-9; trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol; trans-.alpha.,.alpha.'-diethyl-4-4'-stilbenediol; 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans; 4,4'-Stilbenediol, .alpha.,.alpha.-diethyl-, (E)-; BRD-K17084514-001-01-7; BRD-K45330754-001-09-2; Diethylstilbestrol, VETRANAL(TM), analytical standard; Phenol,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, (E)- (8CI); Diethylstilbestrol, European Pharmacopoeia (EP) Reference Standard; Diethylstilbestrol, United States Pharmacopeia (USP) Reference Standard"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:41922	DB00255	DR00922	DR0492	268.3	C18H20O2	40.5	286	5.1	20	2	2	4	"1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+"	CC/C(=C(/CC)\\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O	RGLYKWWBQGJZGM-ISLYRVAYSA-N
DG01050	Pretomanid	456199	"Pretomanid; PA-824; 187235-37-6; PA 824; PA824; (S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (S)-PA 824; UNII-2XOI31YC4N; 2XOI31YC4N; CHEMBL227875; MMV688755; (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (6S)-2-NITRO-6-{[4-(TRIFLUOROMETHOXY)PHENYL]METHOXY}-5H,6H,7H-IMIDAZO[2,1-B][1,3]OXAZINE; Pretomanid [USAN:INN]; Dovprela; C14H12F3N3O5; Pretomanid (TN); PA-824(Pretomanid); Pretomanid (USAN/INN); MLS006011141; SCHEMBL2983011; DTXSID8041163; GTPL11172; AOB1594; EX-A1749; ZINC3821675; BDBM50363237; CS1245; MFCD06809939; s1162; AKOS024464713; CCG-268145; DB05154; DS-7321; PA- 824; QC-5184; 2-nitro-6-(4-(trifluoromethoxy)benzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine; NCGC00346682-01; NCGC00346682-02; AC-25501; HY-10844; SMR004702918; SW220281-1; X6951; D10722; A855886; SR-05000022748; Q7118312; SR-05000022748-1; (S)-2-nitro-6-(4-(trifluoromethoxy)benzyloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; {4-[((3S)-6-Nitro(2H,3H,4H-imidazolo[2,1-b]1,3-oxazaperhydroin-3-yloxy))methyl]phenoxy}trifluoromethane; 5H-Imidazo(2,1-b)(1,3)oxazine, 6,7-dihydro-2-nitro-6-((4-(trifluoromethoxy)phenyl)methoxy)-, (6S)-; PA-824; ; ; (6S)-2-Nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; Pretomanid;(6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB05154	.	DR1338	359.26	C14H12F3N3O5	91.3	468	2.8	25	0	9	4	"1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1"	C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F	ZLHZLMOSPGACSZ-NSHDSACASA-N
DG01051	Cefamandole	456255	"Cefamandole; Cefadole; 34444-01-4; Cephadole; CEPHAMANDOLE; Cefamandol; Cefamandolum; L-Cefamandole; Compound 83405; UNII-5CKP8C2LLI; CHEBI:3480; 5CKP8C2LLI; (6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Kefdole; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Kefamandol; Mancef; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 30034-03-8; Cefamandol [INN-Spanish]; Cefamandole (USAN/INN); Cefamandolum [INN-Latin]; free form; Cefamandole [USAN:INN:BAN]; EINECS 252-030-0; BRN 0598510; Prestwick0_000747; Prestwick1_000747; Prestwick2_000747; Prestwick3_000747; Epitope ID:141490; 7-D-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid; CHEMBL1146; SCHEMBL37287; BSPBio_000734; COMPOUND-83405; SPBio_002673; BPBio1_000808; DTXSID7022750; J01DC03; HY-B1128; ZINC3830394; BDBM50350468; AKOS025401365; AC-1294; CS-4724; DB01326; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenyl-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid; C06879; D02344; 444C014; Cefamandole, Antibiotic for Culture Media Use Only; Q2601530; W-106736; BRD-K27130738-236-03-4; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, 6R,7R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3480	DB01326	DR00551	.	462.5	C18H18N6O5S2	201	777	-0.9	31	3	10	7	"1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O	OLVCFLKTBJRLHI-AXAPSJFSSA-N
DG01052	Dactinomycin	457193	"DACTINOMYCIN; actinomycin D; Actinomycin C1; Actinomycin IV; Cosmegen; Meractinomycin; 50-76-0; Dactinomycinum; ActD; Actinomycin I1; Oncostatin K; ACT D; Dactinomycine [INN-French]; Dactinomycinum [INN-Latin]; UNII-1CC1JFE158; Dactinomicina [INN-Spanish]; Lyovac cosmegen; Dactinomycin D; Chounghwamycin B; Actinomycin 7; ACTINOMYCIN-D; NCI-C04682; MFCD00005033; Dilactone actinomycin D acid; Actinomycin Aiv; Actinomycin I; GNF-Pf-2290; MLS001424196; 1CC1JFE158; Actinomycin X1; CHEBI:27666; Actinomycin X 1; Actinomycin A IV; Acto-D; Actactinomycin A IV; Actinomycin C(sub1); Dilactone actinomycindioic D acid; NCGC00161622-02; Actinomycin I(sub 1); SMR000469227; DSSTox_CID_31; Actinomycin 11 cosmegen; Cosmegen Lyovac; Lyovac-Cosmegen; CCRIS 9; DSSTox_RID_75330; DSSTox_GSID_20031; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; HSDB 3220; Dactinomicina; Dactinomycine; Actinomycindioic D acid, dilactone; Antibiotic from Streptomyces parvullus; Actinomycin-(threo-val-pro-sar-meval); CAS-50-76-0; ACT [antibiotic]; X 97; 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; AD (VAN); GNF-PF-1977; NSC3053; NSC-3053; Glycopeptide, 4a; 2-amino-4,6-dimethyl-3-oxo-N,N'-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phenoxazine-1,9-dicarboxamide; NSC 3053; Dactinomycin [USAN:USP:INN:BAN]; EINECS 200-063-6; AI3-26374; UPCMLD-DP055; SCHEMBL3844; CHEMBL1554; cid_457193; DTXSID9020031; UPCMLD-DP055:001; UPCMLD-DP055:002; BDBM43866; HMS2052O17; Tox21_111997; Tox21_202482; BDBM50089528; s8964; AKOS030228553; Tox21_111997_1; CCG-101134; DB00970; NC00384; NCGC00090796-01; NCGC00161622-01; NCGC00260031-01; NCGC00271789-02; 3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-; BP-25384; Specific stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)-bis(carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl))bis(N-methyl-L-valine) dilactone; Stereoisomer of N,N'-((2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis(carbonylimino(2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl)imino(2-(1-methylethyl)-1-oxo-2,1-ethanediyl)-1,2-pyrrolidinediylcarbonyl(methylimino) (1-oxo-2,1-ethanediyl)))bis(N-methyl-L-valine)di-xi-lactone; AB00514445-05; 050A760; Q186127; SR-01000763161; SR-01000763161-4; Actinomycin D, from Streptomyces sp., >=95% (HPLC); Actinomycin D, from Streptomyces sp., ~98% (HPLC); BRD-K70578146-001-01-8; BRD-K70578146-001-04-2; UNII-0OCC969V50 component RJURFGZVJUQBHK-IIXSONLDSA-N; Dactinomycin, United States Pharmacopeia (USP) Reference Standard; Actinomycin D, for fluorescence, >=90% (HPLC), from Streptomyces sp.; Actinomycin D, from Streptomyces sp., suitable for cell culture, >=95%; 1-N,9-N-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide; 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide; 2-amino-N1,N9-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide; 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00970	.	.	1255.4	C62H86N12O16	356	3030	3.8	90	5	18	8	"1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1"	C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C	RJURFGZVJUQBHK-IIXSONLDSA-N
DG01053	Tiazofurin	457954	"TIAZOFURIN; Tiazofurine; 60084-10-8; Riboxamide; 2-b-D-Ribofuranosyl-4-thiazolecarboxamide; Tiazofurinum; Tiazofurina; Tiazofurin [USAN]; TCAR; NSC-286193; UNII-ULJ82834RE; CI-909; Tiazofurine (INN); Tiazofurin (USAN); 2-beta-D-Ribofuranosyl-4-thiazolecarboxamide; ULJ82834RE; CHEBI:90239; Tiazofurine [INN]; 2-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)thiazole-4-carboxamide; Tiazofurinum [Latin]; Tiazofurina [Spanish]; 2-(beta-D-ribofuranosyl)-4-thiazolecarboxamide; (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol; (1r)-1-[4-(Aminocarbonyl)-1,3-Thiazol-2-Yl]-1,4-Anhydro-D-Ribitol; BRN 1084555; Cpd-5825; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carboxamide; 2-beta-D-Ribofuranosylthiazole-4-carboxamide; 4-Thiazolecarboxamide, 2-beta-D-ribofuranosyl-; SCHEMBL4287; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; DIBUTYLAMINEHYDROCHLORIDE; CHEMBL108358; DTXSID00208827; ZINC4217560; 8957AB; BDBM50368057; MFCD00866494; DB13243; BS-17271; HY-114570; CS-0063433; C22196; D06130; W18798; Q7800305"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90239	.	.	DR2129	260.269	C9H12N2O5S	154	305	-1.7	17	4	7	3	"1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1"	C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	FVRDYQYEVDDKCR-DBRKOABJSA-N
DG01054	Efinaconazole	489181	"EFINACONAZOLE; 164650-44-6; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; KP-103; JUBLIA; UNII-J82SB7FXWB; KP103; J82SB7FXWB; CHEBI:82718; 164905-19-5; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; Kp 103; Efinaconazole [USAN:INN]; efinaconazol; efinaconazolum; Clenafin; IDP-108; Clenafin (TN); Jublia (TN); Efinaconazole(KP-103); Efinaconazole; KP-103; SCHEMBL300738; ZINC6251; CHEMBL2103877; Efinaconazole (JAN/USAN/INN); C18H22F2N4O; HSDB 8341; DTXSID40167787; BCP11665; EX-A2643; 2856AH; MFCD00936406; s5025; AKOS027323571; CCG-268012; CS-3500; DB09040; NCGC00390702-01; NCGC00390702-02; NCGC00390702-03; (2R,3R)-2-(2,4-Difluorofenil)-3-(4-metilenopiperidin-1-il)-1-(1H-1,2,4-triazin-1-il)butan-2-ol; AC-30630; AS-30126; HY-15660; D10021; A854585; Q21011225; (2R, 3R)-2-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol; (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-yl)-1-(1H-1,2,4-triazole-1-yl)butane-2-ol; (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidino)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol; (alphaR,betaR)-alpha-(2,4-Difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1- ylmethyl)-, (alphaR,betaR)-; 1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaR,betaR)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82718	DB09040	.	.	348.4	C18H22F2N4O	54.2	470	2	25	1	6	5	"1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1"	C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3	NFEZZTICAUWDHU-RDTXWAMCSA-N
DG01055	Cefpiramide	636405	"Cefpiramide; 70797-11-4; Cefpiramide acid; Cefpiramido; Cefpiramidum; UNII-P936YA152N; (6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CHEBI:59213; P936YA152N; NCGC00167444-01; WY-44,635; SM 1652; SM-1652; (7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; WY-44635; (6R,7R)-7-((R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; WY 44,635; C25H24N8O7S2; Cefpiramidum [INN-Latin]; Cefpiramido [INN-Spanish]; Cefpiramide [USAN:USP:INN]; NSC-759869; WY 44635; Cefpiramide (USP/INN); DSSTox_CID_26630; DSSTox_RID_81778; DSSTox_GSID_46630; SCHEMBL49253; CHEMBL1201204; DTXSID6046630; GTPL12027; HMS3715H12; ZINC4215257; Tox21_112448; MFCD00864893; s5186; AKOS025311237; CCG-221235; DB00430; NSC 759869; NCGC00167444-04; (6R,7R)-7-((R)-2-(4-Hydroxy-6-methylnicotinamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; AS-14170; K197; CAS-70797-11-4; D03428; 797C114; Q4921174; BRD-K92872987-001-02-9; (6R,7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-[(4-hydroxy-6-methylpyridin-3-yl)formamido]-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-hydroxy-6-methyl-3-pyridinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-; 7beta-[(2R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:59213	DB00430	.	.	612.6	C25H24N8O7S2	259	1270	-0.1	42	5	13	9	"1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1"	CC1=CC(=O)C(=CN1)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	PWAUCHMQEXVFJR-PMAPCBKXSA-N
DG01059	Vasopressin	644077	"ARGIPRESSIN; 113-79-1; Arginine vasopressin; Argipressine; Pitressin; beta-Hypophamine; 8-Arginine-vasopressin; Argipressin tannate; Vasopressin (arginine form); UNII-Y4907O6MFD; Arginine-vasopressin; CHEBI:34543; Vasophysin; Arg-vasopressin; CHEMBL373742; Y4907O6MFD; (Arg8)-Vasopressin; [Arg8]-Vasopressin; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide; 8-L-Arginine vasopressin; Argipresina; Argipressina; Argipressinum; AVP; Arg8-vasopressin; Argipressin [INN]; Argipressina [DCIT]; NCGC00166306-01; Argipressin [INN:BAN]; 8-L-Arginine-vasopressin; Argipresina [INN-Spanish]; Argipressine [INN-French]; Argipressinum [INN-Latin]; Rindervasopressin; [3H]vasopressin; EINECS 204-035-4; 3-(Phenylalanine)-8-arginineoxytocin; Arginine-8-vasopressin; Argipressin or lypressin; [8-Arginine]vasopressin; [3H]Argipressin tannate; antidiuretic hormone (ADH); arginine vasopressin (AVP); Argipressin tannate [USAN]; Arginine antidiuretic hormone; DSSTox_CID_28324; DSSTox_RID_82752; DSSTox_GSID_48349; SCHEMBL43139; Vasopressin, 8-L-arginine-; [cyclo S-S]CYFQNCPRG-NH2; GTPL2168; DTXSID0048349; SCHEMBL17874853; BDBM35667; Tox21_113037; BDBM50044777; MFCD00076738; NCGC00166306-02; NCGC00188439-01; CAS-113-79-1; h-cys-tyr-phe-gln-asn-cys-pro-arg-gly-nh2; Oxytocin, 3-(L-phenylalanine)-8-L-arginine-; Vasopressin, 8-L-arginine- (7CI,8CI,9CI); roxybenzyl-6,9,12,15,18-pentaoxo- (6CI); 113A791; Q183011; Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Arg-Gly-NH2[Disulfide Bridge: 1-6]; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide; 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-10-propionamide, 19-amino-13-benzyl-7-(carbamoylmethyl)-4-[2-[[1-[(carbamoylmethyl)carbamoyl]-4-guanidinobutyl]carbamoyl]-1-pyrrolidinylcarbonyl]-16-p-hyd; 1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide; Glycinamide, L-cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1>6)-disulfide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34543	.	DR00247	.	1084.2	C46H65N15O12S2	515	2070	-4.8	75	14	16	19	"1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1"	C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N	KBZOIRJILGZLEJ-LGYYRGKSSA-N
DG01060	Cefsulodin	656575	"Cefsulodin; Cefsulodine; Cefsulodinum; Cefsulodino; 62587-73-9; UNII-OV42LHE42B; OV42LHE42B; (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; CHEBI:3507; (6R,7R)-3-[(4-carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7beta-{[(2R)-2-phenyl-2-sulfoacetyl]amino}-3-(4-carbamoylpyridinium-1-yl)methyl-3,4-didehydrocepham-4-carboxylate; Cefsulodin [INN:BAN]; Cefsulodine [INN-French]; Cefsulodinum [INN-Latin]; Cefsulodino [INN-Spanish]; Cefonomil; Cefsulodin (INN); Epitope ID:120379; SCHEMBL65525; CGP7174/E; GTPL10783; CGP-7174-E; DB13499; (6R,7R)-3-((4-carbamoylpyridinio)methyl)-8-oxo-7-((R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat; 4-Carbamoyl-1-(((6R,7R)-2-carboxy-8-oxo-7-((2R)-2-phenyl-2-sulfoacetaido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium hydroxide, inner salt; D07653; Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6R-(6alpha,7beta(R*)))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3507	.	.	.	532.6	C22H20N4O8S2	225	1050	0.2	36	3	9	7	"1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N	SYLKGLMBLAAGSC-QLVMHMETSA-N
DG01062	Leuprolide	657181	"Leuprorelin; leuprolide; 53714-56-0; Eligard; Leuprorelina; Leuproreline; Leuprorelinum; UNII-EFY6W0M8TG; EFY6W0M8TG; CHEBI:6427; MFCD00167544; Leuprorelin [INN:BAN]; Leuproreline [INN-French]; Leuprorelinum [INN-Latin]; Leuprorelina [INN-Spanish]; Leuporelin; CCRIS 8462; HSDB 6518; NSC-377526; (-)-leuprolide; LH-RH Leuprolide; C59H84N16O12; NSC 377526; Leuprorelin slow release; Leuprorelin acetate (JAN); Leuprolide acetate (USAN); SCHEMBL4585; TAP-144 FREE BASE; GTPL1175; CHEMBL1201199; CKD-841; DTXSID50872411; ABBOTT-43818 FREE BASE; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-GNRH; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-LHRH; BDBM50369395; AKOS015892744; AKOS030213246; AKOS037515838; CCG-270656; CS-4947; DB00007; HS-2016; (D-Leu(sup 6),des-gly-NH2(sup 10),pro-ethylamide(sup 9))-gonadotropin-releasing hormone; NCGC00485984-01; HY-12553; I025; Leuprolide acetate salt, >=98% (HPLC); C75519; pGlu-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHEt; BISPHENOLA-(3-CHLORO-2-HYDROXYPROPYL)-&; 714L560; Fensolvi (leuprolide acetate injectable suspension); pGlu-His-Trp-Ser-Tyr-D-Leu-Leu-Arg-Pro-NHC2H5; Q907160; Leuprolide acetate, United States Pharmacopeia (USP) Reference Standard; (D-Leu(6),des-Gly-NH2(10),Pro-ethylamide(9))-gonadotropin-releasing hormone; (S)-N-ethyl-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl)pyrrolidine-2-carboxamide; L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-leucyl-L-leucyl-L-arginyl-L-proline ethylamide; Luteinizing hormone-releasing factor (pig), 6-D-leucine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-; Luteinizing hormone-releasing hormone (pig), 6-D-leucine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6427	.	.	.	1209.4	C59H84N16O12	432	2390	0.7	87	15	14	32	"1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1"	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6	GFIJNRVAKGFPGQ-LIJARHBVSA-N
DG01067	Etomidate	667484	"Etomidate; 33125-97-2; Hypnomidate; (+)-Etomidate; D-Etomidate; Amidate; Etomidato; Etomidatum; (R)-ETHYL 1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLATE; ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate; Radenarcon; R 16659; UNII-Z22628B598; (+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate; R-(+)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate; CHEMBL681; (R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-carboxylic acid ethyl ester; Amidate (pharmaceutical); CHEBI:4910; ethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate; (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester; 1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, ethyl ester; ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate; 3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester; Z22628B598; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (R)- [CAS]; (d)-Etomidate; Etomidic acid; Etomidatum [INN-Latin]; Etomidato [INN-Spanish]; 1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester; SMR000466277; Amidate (TN); 1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester; MFCD00869295; NSC-759160; Etomidate [USAN:USP:INN:BAN]; R(+)-etomidate; EINECS 251-385-9; R-ETOMIDATE; BRN 0665833; Etomidate (USP/INN); 1-(alpha-Methylbenzyl)-1H-imidazole-5-carboxylic acid ethyl ester; SCHEMBL39487; MLS000758268; MLS001424163; GTPL5463; ZINC1408; 1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (+)-; Etomidate 0.1 mg/ml in Methanol; Etomidate 1.0 mg/ml in Methanol; 1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester; HMS2051P18; HMS2232A08; HMS3267N06; HMS3412D11; HMS3676D11; HY-B0100; Etomidate, >98% (HPLC), powder; BDBM50125935; AKOS015920052; CCG-101054; CS-1833; DB00292; GS-3208; NC00304; NSC 759160; NCGC00025176-01; AM803710; E0897; C07522; D00548; J10465; AB00639951_06; 125E972; Q418445; R-16659; SR-01000597569; Q-201102; SR-01000597569-1; BRD-K55055802-001-10-2; Etomidate, European Pharmacopoeia (EP) Reference Standard; r-(+)-ethyl-1-(1-phenylethyl)-1h-imidazole-5-carboxylate; Ethyl (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylate; Etomidate, United States Pharmacopeia (USP) Reference Standard; (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylicacid ethyl ester; (R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid Ethyl Ester; Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, ethyl ester, (R)-(+)-; V8D"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4910	DB00292	.	.	244.29	C14H16N2O2	44.1	277	3	18	0	3	5	"1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1"	CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2	NPUKDXXFDDZOKR-LLVKDONJSA-N
DG01068	Crotamiton	688020	"Crotamiton; 483-63-6; N-Ethyl-o-crotonotoluidide; Crotamitone; Eurax; trans-Crotamiton; 124236-29-9; Crotalgin; Veteusan; Eurasil; Euraxil; Crotamitonum; Crotamitex; Crotonyl-N-ethyl-o-toluidine; (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide; UNII-2EEH27851Y; (E)-N-Ethyl-N-(o-tolyl)but-2-enamide; o-CROTONOTOLUIDIDE, N-ETHYL-; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-; (2E)-N-ethyl-N-(2-methylphenyl)but-2-enamide; 2EEH27851Y; MFCD00026989; NSC-758951; Crotan; Caswell No. 431B; Bestloid; Crotamitonum [INN-Latin]; SMR000059145; N-ethyl-N-(2-methylphenyl)but-2-enamide; Crotamiton, (E)-; SR-01000759366; EINECS 207-596-3; EPA Pesticide Chemical Code 055701; CHEBI:31439; BRN 3275497; N-Ethyl-N-(2-methylphenyl)-2-butenamide; AI3-17732; (E)-crotamiton; Crotamiton [USP:INN:BAN:JAN]; Eurax (TN); Prestwick2_000951; Prestwick3_000951; N-ethylcrotono-o-toluidide; N-Ethyl-o-crotonotoluidine; G 7857; N-Ethyl- o-crotonotoluidide; SCHEMBL32934; BSPBio_000942; BSPBio_002722; Crotamiton (JAN/USP/INN); 3-12-00-01856 (Beilstein Handbook Reference); MLS000759489; MLS001424003; MLS002222307; MLS002695895; N-Ethyl-ortho-crotonotoluidide; SPECTRUM1505271; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (E)-; 2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (2E)-; BPBio1_001038; component of Eurax (Salt/Mix); N-Crotonyl-N-ethyl-o-toluidine; CHEMBL1200709; GTPL11165; ZINC56427; N-Ethyl-o-crotonotoluidide, 97%; HMS1570P04; HMS1922P21; HMS2051E10; HMS2090A10; HMS2093O12; HMS2097P04; HMS2234E16; HMS3714P04; Pharmakon1600-01505271; BCP13315; HY-B1177; NSC78382; CCG-39402; NSC-78382; NSC758951; s1711; (E)-N-ethyl-N-o-tolylbut-2-enamide; AKOS015892746; CS-4730; NC00107; NSC 758951; NCGC00094571-01; NCGC00094571-02; NCGC00094571-03; NCGC00094571-04; NCGC00094571-05; AS-11641; trans-N-Ethyl-N-(o-tolyl)-2-butenamide; SBI-0206763.P001; AB00513973; E0814; N-Ethyl-N-(2-methylphenyl)-2-butenamide #; D01381; D70888; AB00513973-09; AB00513973_10; 483C636; A827519; Q-200893; Q2439845; SR-01000759366-4; SR-01000759366-6; BRD-K13240564-001-01-8; BRD-K57179821-001-05-5; BRD-K57179821-001-08-9; Crotamiton, British Pharmacopoeia (BP) Reference Standard; Crotamiton, European Pharmacopoeia (EP) Reference Standard; UNII-D6S4O4XD0H component DNTGGZPQPQTDQF-XBXARRHUSA-N; Crotamiton, United States Pharmacopeia (USP) Reference Standard; N-Ethyl-o-crotonotoluidide; Crotamitone; Crotalgin; Eurasil; Euraxil"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31439	DB00265	.	.	203.28	C13H17NO	20.3	235	2.8	15	0	1	3	"1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+"	CCN(C1=CC=CC=C1C)C(=O)/C=C/C	DNTGGZPQPQTDQF-XBXARRHUSA-N
DG01069	Pyrantel	708857	"PYRANTEL; 15686-83-6; Strongid; Pirantele [DCIT]; Pirantel; Pyrantelum; Pyrequan; Pyrantel [INN:BAN]; UNII-4QIH0N49E7; (E)-1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine; E-1,4,5,6-Tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine; 4QIH0N49E7; CHEBI:8654; Pirantele; Pirantel [INN-Spanish]; Pyrantelum [INN-Latin]; Pin-X; HSDB 3252; EINECS 239-774-1; Konvermex; pyrantel-pamoate; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine; Konvermex (TN); Pyrantel (INN); MLS006011881; SCHEMBL164730; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine; CHEMBL1626223; DTXSID5023538; CHEBI:94685; ZINC97996; HMS1541D15; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-1,4,5,6-tetrahydropyrimidine; 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine; STK676402; 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; AKOS005594318; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)-, (E)-; DB11156; NCGC00174007-01; NCGC00174007-02; SMR004703508; C07409; D08451; AB00053538-07; AB00053538_08; A906579; Q426897; SR-01000802778; SR-01000802778-4; BRD-K20672254-046-02-1; BRD-K63072637-046-01-2; 1,4,5,6-Tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]pyrimidine; 1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine; 1,4,5,6-tetrahydro-1-methyl-2-[(1e)-2-(2-thienyl)ethenyl]-pyrimidine; 1,4,5,6-Tetrahydro-1-methyl-2-[(E)-2-(2-thienyl)vinyl]pyrimidine; 1-Methyl-2-[(E)-2-(2-thienyl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 1-Methyl-2-[(E)-2-(2-thienyl)ethenyl]-1,4,5,6-tetrahydropyrimidine #; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)ethenyl]-; Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)ethenyl)-, (E)- (9CI); 5686-02-2"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8654	DB11156	.	DR1371	206.31	C11H14N2S	43.8	248	1.6	14	0	2	2	"1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+"	CN1CCCN=C1/C=C/C2=CC=CS2	YSAUAVHXTIETRK-AATRIKPKSA-N
DG01081	Luliconazole	3003141	"Luliconazole; 187164-19-8; Lulicon; NND-502; Luzu; PR-2699; (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile; UNII-RE91AN4S8G; NND 502; RE91AN4S8G; NCGC00182704-01; NCGC00182704-02; CHEBI:34825; (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile; (R,E)-2-(4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile; NCGC00182704-03; 2-[(2E,4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1H-imidazol-1-yl)acetonitrile; DSSTox_CID_28533; DSSTox_RID_82805; DSSTox_GSID_48607; NND502; CAS-187164-19-8; Luliconazole [USAN:INN]; 4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene-1-imidazolylacetonitrile; Lulicon (TN); Imidazole antimycotic; Luzu (TN); Lulicon; ; ; NND 502; SCHEMBL342362; GTPL7366; Luliconazole (JAN/USAN/INN); CHEMBL2105689; DTXSID3048607; Luliconazole, >=98% (HPLC); ZINC3929486; Tox21_112942; Tox21_112974; MFCD00953915; s4258; AKOS015897320; Tox21_112974_1; AM84645; BCP9000863; CCG-268075; CS-0587; DB08933; DS-3278; (2E)-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile; NCGC00182704-08; HY-14283; SW219226-1; D01980; 164L198; A813122; SR-01000945039; SR-01000945039-1; Q15624030; UNII-5JA16R08FJ component YTAOBBFIOAEMLL-REQDGWNSSA-N; (-)-(E)-((4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)(1H-imidazol-1-yl)acetonitrile; 1H-Imidazole-1-acetonitrile, alpha-((4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:34825	DB08933	.	.	354.3	C14H9Cl2N3S2	92.2	476	4	21	0	4	2	"1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1"	C1[C@H](S/C(=C(\\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl	YTAOBBFIOAEMLL-REQDGWNSSA-N
DG01087	Pivampicillin	33478	"Pivampicillin; Pivaloylampicillin; 33817-20-8; Pivaloyloxymethyl ampicillinate; Pivampicilina; Pivampicilline; Pivampicillinum; Ampicillin pivaloyloxymethyl ester; Pivampicilina [INN-Spanish]; Pivampicilline [INN-French]; Pivampicillinum [INN-Latin]; UNII-0HLM346LL7; 0HLM346LL7; CHEBI:8255; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; DSSTox_CID_25459; DSSTox_RID_80890; DSSTox_GSID_45459; 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; Pivampicillin [INN:BAN]; MK 191; Pondocillin (TN); Pivampicillin (INN); EINECS 251-688-6; NCGC00016823-01; CAS-33817-20-8; Prestwick0_001009; Prestwick1_001009; Prestwick2_001009; Prestwick3_001009; SCHEMBL34182; BSPBio_001137; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-(2alpha,5alpha,6beta(S*)))-; SPBio_003018; BPBio1_001251; CHEMBL3182343; DTXSID1045459; HMS1571I19; HMS2098I19; HMS3715I19; Tox21_110631; MK-191; ZINC34967244; Tox21_110631_1; CCG-221009; DB01604; NCGC00179290-01; NCGC00179290-03; [(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, hydroxymethyl ester, pivalate (ester), D-(-)-; AB00513999; D08396; SR-01000872693; Q3122143; SR-01000872693-1; (2S,5R,6R)-pivaloyloxymethyl 6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; {[(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy}methyl 2,2-dimethylpropanoate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8255	DB01604	.	.	463.5	C22H29N3O6S	153	774	2.9	32	2	8	9	"1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1"	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C	ZEMIJUDPLILVNQ-ZXFNITATSA-N
DG01088	Lorcainide	42884	"LORCAINIDE; lorcainid; 59729-31-6; UNII-KGJ2T0N7IQ; KGJ2T0N7IQ; Ro 13-1042; Lorcainidum; Lorcainida; N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide; N-(4-Chlorophenyl)-N-(1-isopropylpiperidin-4-yl)-2-phenylacetamide; 4'-Chloro-N-(1-isopropyl-4-piperidinyl)-2-phenylacetanilide; Lorcainide [INN:BAN]; Lorcainidum [INN-Latin]; Benzeneacetamide, N-(4-chlorophenyl)-N-(1-(1-methylethyl)-4-piperidinyl)-; Benzeneacetamide, N-(4-chlorophenyl)-N-[1-(1-methylethyl)-4-piperidinyl]-; Lorcainida [INN-Spanish]; Lorcainide hydrochloride (USAN); BRN 0497568; 4'-Chloro-N-(1-isopropyl-4-piperidyl)-2-phenylacetanilide; Lorcainide (INN); Spectrum_001714; N-(4-Chlorophenyl)-N-(1-(1-methylethyl)-4-piperidinyl)benzeneacetamide; KBioSS_002194; 5-22-08-00059 (Beilstein Handbook Reference); CHEMBL87543; SCHEMBL364045; DTXSID2023226; KBio2_002194; KBio2_004762; KBio2_007330; CHEBI:135568; ZINC537935; BDBM50237589; AKOS027327571; N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide; DB13653; NCGC00487358-02; FT-0758616; RO-13-1042; D08020; A857054; Q6678811; N-(4-Chlorophenyl)-N-(1-isopropyl-4-piperidinyl)-2-phenylacetamide #; N-(4-chlorophenyl)-N-[1-(1-methylethyl)piperidin-4-yl]-2-phenylacetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135568	.	.	.	370.9	C22H27ClN2O	23.6	433	4.6	26	0	2	5	"1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3"	CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3	XHOJAWVAWFHGHL-UHFFFAOYSA-N
DG01091	Methacycline	54675785	"Methacycline; Metacycline; 914-00-1; Rondomycin; Methylenecycline; Tri-methacycline; Methacyclinum; 6-Methyleneoxytetracycline; Metacyclinum; Metaciclina; 6-Methylene-5-oxytetracycline; 6-Methylene-5-hydroxytetracycline; GS-2876; 6-Deoxy-6-demethyl-6-methylene-5-oxytetracycline; Bialatan; 6-Demethyl-6-deoxy-5-hydroxy-6-methylenetetracycline; Methacycline base; UNII-IR235I7C5P; Metacycline (INN); Methacycline amphoteric; MOTC; CHEBI:6805; C22H22N2O8; IR235I7C5P; Metacycline [INN]; Oxytetracycline, 6-methylene-; (4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; Metacyclinum [INN-Latin]; Methacycline [USAN:BAN]; Metaciclina [INN-Spanish]; Metacycline hydrochloride; 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4S,4aR,5S,5aR,12aS)-; GS 2876; Methacycline (USAN); HSDB 3118; EINECS 213-017-5; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))-; Spectrum_000381; Prestwick0_000964; Prestwick1_000964; Prestwick2_000964; Prestwick3_000964; Spectrum2_001398; Spectrum3_000917; Spectrum4_001016; Spectrum5_001576; SCHEMBL4014; SCHEMBL4015; BSPBio_000967; KBioGR_001511; KBioSS_000861; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; DivK1c_000591; SPBio_001416; SPBio_002888; BPBio1_001065; CHEMBL249837; DTXSID2023272; SCHEMBL19555132; KBio1_000591; KBio2_000861; KBio2_003429; KBio2_005997; KBio3_001894; NINDS_000591; KUC106428N; BCP24961; KSC-12-231A; ZINC4019716; 8169AH; BDBM50103629; BDBM50565697; ZINC85650610; AKOS015961140; ZINC100017626; DB00931; MCULE-8490229191; IDI1_000591; NCGC00179358-01; NCGC00179358-03; NCGC00179358-05; AC-13213; SBI-0051637.P002; AB00514707; C07654; D04972; AB00053593-03; AB00053593_04; AB00053593_05; Q2365033; (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6805	.	.	.	442.4	C22H22N2O8	182	998	0.3	32	6	9	2	"1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1"	CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O	XIYOPDCBBDCGOE-IWVLMIASSA-N
DG01102	Miokamycin	5282188	"Midecamycin acetate; Miocamycin; Miokamycin; Acecamycin; Ponsinomycin; 3'',9-Diacetylmydecamycin; 55881-07-7; UNII-3T48CPS7U2; 3T48CPS7U2; [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate; 9,3''-Diacetylmidecamycin; C45H71NO17; EINECS 259-879-6; Midecamycin acetate [JAN]; Macroral; Miocamen; Mosil; 9,3''-Di-O-Acetylmidecamycin; Miocamycin (TN); Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate; midecamycin diacetate; Midecamycin acetate (JP17); SCHEMBL139293; CHEMBL1091024; DTXSID60905087; Leucomycin V, 3(sup B),9-diacetate 3,4(sup B)-dipropanoate; ZINC169677000; 1532-RB; LeucomycinV,3B,9-diacetate3,4B-dipropanoate; V1793; D01636; Q3858659; W-105540; Midecamycin acetate, Antibiotic for Culture Media Use Only"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR1096	898	C45H71NO17	218	1590	3.8	63	1	18	18	"1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1"	CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C	GQNZGCARKRHPOH-RQIKCTSVSA-N
DG01104	Teprenone	5282199	"Teprenone; Geranylgeranylacetone; Tetraprenylacetone; Selbex; 6809-52-5; 3796-63-2; Teprenona; Teprenonum; Teprenonum [INN-Latin]; Teprenona [INN-Spanish]; UNII-S8S8451A4O; UNII-57B67OXM8F; (5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one; 57B67OXM8F; 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one; E-0671; Geranylgeranyl acetone; (5E,9E,13E)-6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetren-2-one; (5E,9E,13E)-Teprenone; Teprenone [INN:JAN]; CHEBI:31649; Selbelle; 5,9,13,17-NONADECATETRAEN-2-ONE, 6,10,14,18-TETRAMETHYL-; 6,10,14,18-Tetramethyl-5,9,13,17-nonadecatetraen-2-one, mixture of (5E,9E,13E) and (5Z,9E,13E) isomers; CHEMBL79686; SCHEMBL157509; SCHEMBL157511; Ea-0671; BCP11723; HY-B0779; ZINC1915509; 4096AH; s5006; 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-, (E,E,E)-; AKOS015894922; CCG-267813; CS-3560; E-671; 809T525; SR-01000944917; Q-201789; Q7701388; SR-01000944917-1; UNII-S8S8451A4O component HUCXKZBETONXFO-NJFMWZAGSA-N; (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31649	.	.	.	330.5	C23H38O	17.1	482	7.4	24	0	1	12	"1S/C23H38O/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24/h11,13,15,17H,7-10,12,14,16,18H2,1-6H3/b20-13+,21-15+,22-17+"	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C	HUCXKZBETONXFO-NJFMWZAGSA-N
DG01105	Rokitamycin	5282211	"Rokitamycin; Ricamycin; 74014-51-0; TMS 19Q; Propionylleucomycin; UNII-ZPT03UEM0E; ZPT03UEM0E; TMS-19Q; [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate; Rokitamicina; Rokitamycine; Rokitamycinum; ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4''-butyrate 3''-propionate; Rokitamycine [French]; Rokitamycinum [Latin]; Rokitamicina [Spanish]; Rokitamycin [INN:JAN]; Ricamycin (TN); 3''-O-propionylleucomycin A5; CCRIS 5267; BRN 5220127; Rokicid; Rokital; Leucomycin V, 4B-butanoate 3B-propanoate; Rokitamycin (JAN/INN); 3''-propionylleucomycin a5; SCHEMBL136367; CHEMBL1908350; DTXSID6023521; Leucomycin V, 4(sup B)-butanoate 3(Sup B)-propanoate; CHEBI:32103; TMS-19-Q DS 200; ZINC169676935; DB13409; ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4'-butyrate 3'-propionate; D01897; R-6900; Rokitamycin, Antibiotic for Culture Media Use Only; Q3940221"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32103	.	.	DR1435	828	C42H69NO15	206	1380	3	58	3	16	15	"1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1"	CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C	VYWWNRMSAPEJLS-MDWYKHENSA-N
DG01107	Tranilast	5282230	"Tranilast; 53902-12-8; Rizaben; trans-Tranilast; 70806-55-2; Tranilastum; MK 341; Tranilast trans-; N-(3,4-Dimethoxycinnamoyl)anthranilic acid; MK-341; UNII-HVF50SMY6E; SB-252218; (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoic acid; Tranilast (SB 252218); 3,4-DAA; HVF50SMY6E; 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid; MLS000028468; CHEBI:77572; 2-((3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl)amino)benzoic acid; MFCD00864787; NSC-758970; NCGC00018185-05; SMR000058373; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic Acid; 2-{[(2e)-3-(3,4-Dimethoxyphenyl)prop-2-Enoyl]amino}benzoic Acid; (E)-2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid; Tranilastum [INN-Latin]; 2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoic acid; Tranilast [USAN:INN:JAN]; 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid; Tranpro; 2-({(2E)-3-[3,4-bis(methyloxy)phenyl]prop-2-enoyl}amino)benzoic acid; Rizaben (TN); SR-01000003092; n-(3',4'-dimethoxycinnamoyl) anthranilic acid; BENZOIC ACID, 2-((3-(3,4-DIMETHOXYPHENYL)-1-OXO-2-PROPENYL)AMINO)-; Anthranilic acid, N-(3,4-dimethoxycinnamoyl)-; Tranilast- Bio-X; NU-3450; SB 252218; Opera_ID_1657; DSSTox_CID_3693; T 0318; DSSTox_RID_77152; DSSTox_GSID_23693; Lopac0_001193; SCHEMBL29875; BSPBio_003561; ZINC797; 53902-17-3; MLS000759509; MLS001065902; MLS001077269; MLS001424045; MLS002207030; MLS006010043; SPECTRUM1505333; CHEMBL415324; GTPL6326; Tranilast (JP17/USAN/INN); Benzoic acid, 2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-; DTXSID7023693; BDBM21613; CHEBI:92320; AOB5086; HMS2051F05; HMS2089L07; HMS2094I21; HMS2230F18; HMS3263P07; HMS3412G17; HMS3648A16; HMS3676G17; HMS3713J04; Pharmakon1600-01505333; (2-Phenylthiazol-5-yl)methylamine; AMY14167; BCP06359; BCP15888; HY-B0195; Tox21_110836; Tox21_501193; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propenyl]amino] benzoic acid; AC-940; CCG-39992; HSCI1_000076; NSC758970; s5871; AKOS002841076; Tranilast, >=98% (HPLC), powder; DB07615; KS-1193; LP01193; NC00171; NSC 758970; SDCCGSBI-0051160.P004; NCGC00018185-04; NCGC00018185-06; NCGC00018185-08; NCGC00018185-09; NCGC00018185-10; NCGC00018185-20; NCGC00018185-23; NCGC00018185-26; NCGC00021458-04; NCGC00021458-05; NCGC00021458-07; NCGC00261878-01; BD164491; I586; SB252218; SBI-0051160.P003; CAS-53902-12-8; EU-0101193; S1439; SW197551-3; N-(3 ,4 -dimethoxycinnamoyl)anthranilic acid; D02027; AB00382987-18; AB00382987-19; AB00382987_21; 902T173; A829819; A923780; 2-(3,4-Dimethoxy-trans-cinnamoylamino)benzoic acid; Q-201849; Q2325594; SR-01000003092-2; SR-01000003092-4; SR-01000003092-9; BRD-K17849083-001-02-2; BRD-K17849083-001-03-0; BRD-K19533706-001-01-9; Q27164069; SR-01000003092-16; 2-[3-(3,4-Dimethoxyphenyl)-acryloylamino]-benzoic acid; 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid; 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid; 2-[[3-(3,4-Dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic Acid; D27"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77572	DB07615	.	DR1628	327.3	C18H17NO5	84.9	464	3.2	24	2	5	6	"1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+"	COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC	NZHGWWWHIYHZNX-CSKARUKUSA-N
DG01110	Neocarzinostatin	5282473	ZINOSTATIN; Neocarzinostatin (JAN); Zinostatin (USAN/INN); SCHEMBL1347615; D02046	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	661.6	C35H35NO12	175	1460	2.3	48	4	13	8	"1S/C35H35NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h8-9,12-14,17,21,24-26,28-31,33,36-39H,6,15H2,1-4H3/t17-,21 ,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1"	C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C=C3C2CC#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O	BLXZMHNVKCEIJX-PNKAXBHOSA-N
DG01112	Tacalcitol	5283734	"Tacalcitol; 57333-96-7; Bonalfa; Curatoderm; Tacalcitolum; UNII-C2W72OJ5ZU; TV-02; PRI 2191; 1-alpha,24(R)-Dihydroxyvitamin D3; TV-02H; TV 02; PRI-2191; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; C2W72OJ5ZU; 1alpha,24(R)-Dihydroxyvitamin D3; 1,24-Dihydroxyvitamin D3; (24R)-1alpha,24-dihydroxyvitamin D3 / (24R)-1alpha,24-dihydroxycholecalciferol; (5Z,7E)-(1S,3R,24R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol; Bonalfa (TN); Tacalcitolum [INN-Latin]; 1,24(R)-Dihydroxyvitamin D3; CHEBI:32176; Tacalcitol [INN:BAN:JAN]; Vellutan; Apsor; CCRIS 4211; Tacalcitol (INN); tv02; 1alpha,24(OH)2D3; SCHEMBL3945; TV-02HS; 1a,24-Dihydroxycholecalciferol; GTPL2780; CHEMBL2105611; Tacalcitol, >=99% (HPLC); DTXSID90905111; 1.alpha.,24-dihydroxyvitamin d3; EX-A4429; ZINC4474668; 4077AH; BDBM50441892; LMST03020256; AKOS024458008; CS-0391; DB13689; (1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol; AS-77643; HY-32337; (1alpha,24R)-1,24-dihydroxyvitamin D3; D08554; 333T967; Q155682; 1,24(R)-Dihydroxyvitamin D3;1.alpha.,24R-Dihydroxyvitamin D3; (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol; (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol; (1 ,3 ,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol; 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5Z,7E,24R)-; (1R,3S,Z)-5-((E)-2-((1R,3aS,7aR)-1-((2R,5R)-5-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:32176	.	.	.	416.6	C27H44O3	60.7	676	5.3	30	3	3	6	"1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1"	C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@@H](C3=C)O)O)C	BJYLYJCXYAMOFT-RSFVBTMBSA-N
DG01114	Codeine	5284371	"Codeine; Methylmorphine; Codeine anhydrous; Codicept; l-Codeine; Coducept; 76-57-3; Morphine monomethyl ether; Morphine 3-methyl ether; (-)-Codeine; codeinum; O3-Methylmorphine; CODEINE BASE; Morphine-3-methyl ether; Codein; Norcodine, N-methyl; Norcodeine, N-methyl; Codeine polistirex; codeina; CCRIS 7555; HSDB 3043; UNII-UX6OWY2V7J; Codeine (CRM); O(3)-methylmorphine; CHEBI:16714; UX6OWY2V7J; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-; 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; Codeine Anhydrate; 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol; (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol; Morphine-3-methyl ester; CHEMBL369475; DEA No. 9050; (5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol; (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; Codeine [INN:BAN]; EINECS 200-969-1; Codeine Alkaloid; Codeine USP; (Codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(Codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol[codeine]; Codeinum monohydricum; DSSTox_CID_341; Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-; CHEMBL485; Epitope ID:120369; Codeine polistirex [USAN]; SCHEMBL3257; DSSTox_RID_75524; DSSTox_GSID_20341; GTPL1673; Codeine 0.1 mg/ml in Methanol; Codeine 1.0 mg/ml in Methanol; DTXSID2020341; (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol; IDS-NC-005(SECT.-2); ZINC3806721; Tox21_200082; BDBM50019351; BDBM50105098; AKOS015955539; Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-; DB00318; CAS-76-57-3; NCGC00248518-01; NCGC00257636-01; AC-11114; C06174; Q174723; Codeine, European Pharmacopoeia (EP) Reference Standard; 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol; Codeine solution, 1 mg/mL in methanol, ampule of 1 mL, certified reference material; Codeine solution, analytical standard, for drug analysis, 1.0 mg/mL in methanol; Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- (9CI); Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)- (9CI); Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl- (8CI); (1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol; (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol; (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol; (codeine)10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol; 10-methoxy-4-methyl-(13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ol(Dihydrocodeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol; 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol phosphate(codeine); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine (H3PO4)); 10-methoxy-4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol(codeine phosphate)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:16714	DB00318	DR00055	DR0366	299.4	C18H21NO3	41.9	509	1.1	22	1	4	1	"1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1"	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O	OROGSEYTTFOCAN-DNJOTXNNSA-N
DG01117	Dorzolamide	5284549	"Dorzolamide; 120279-96-1; 4S,6S-Dorzolamide; (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide; UNII-9JDX055TW1; Trusopt (TN); (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE; 9JDX055TW1; CHEBI:4702; (4S,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; (4S,trans)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide; C10H16N2O4S3.HCl; 4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; 4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda6-thieno[2,3-b]thiopyran-2-sulfonic acid amide; Dorzolamide (DZA); Dorzolamide (INN); MK-507; Dorzolamide [INN:BAN]; SR-05000001449; 1cil; 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide; Prestwick0_001116; Prestwick1_001116; Prestwick2_001116; Prestwick3_001116; Dorzolamide, trans-(-)-; UNII 9JDX055TW1; SCHEMBL24061; BSPBio_001252; MLS006011430; BIDD:GT0306; SPBio_003116; BPBio1_001377; CHEMBL218490; GTPL6810; DTXSID7022960; BDBM10884; Dorzolamide, >=98% (HPLC); HMS2089O06; HY-B0109; ZINC1530621; STK645522; AKOS005576255; CS-1859; DB00869; NCGC00179244-04; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide,4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-; AS-14731; M363; N913; SMR004703245; AB00514687; C06969; D07871; AB00514687-06; AB00514687-07; AB00514687_08; A804484; Q415401; J-520426; Q-201042; SR-05000001449-1; BRD-K48617017-003-03-1; 4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide; 5,6-Dihydro-4H-4-ethyl amino-6-methyl thieno (2,3-B) thiopyran-2-Sulphonamide-7,7-dioxide; (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-6-sulfonamide; (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1$l^{6},7-thieno[2,3-b]thiopyran-6-sulfonamide; (4S,6S)-4-(ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide; 139066-77-6; 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4702	DB00869	.	.	324.4	C10H16N2O4S3	151	534	0.4	19	2	7	3	"1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1"	CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C	IAVUPMFITXYVAF-XPUUQOCRSA-N
DG01126	Desmopressin	5311065	"DESMOPRESSIN; 16679-58-6; DDAVP; Desmopresina; Desmopressine; Desmopressinum; 1-Deamino-8-D-arginine vasopressin; 1-Desamino-8-D-arginine vasopressin; UNII-ENR1LLB0FP; ENR1LLB0FP; CHEMBL1429; CHEBI:4450; 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin; 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide; Desmopressin [INN:BAN]; Deamino Arginine Vasopressin; Desmopresina [INN-Spanish]; Desmopressine [INN-French]; Desmopressinum [INN-Latin]; C46H64N14O12S2; EINECS 240-726-7; Desamino-8-D-arginine vasopressin, l-; Deamino-8-D-arginine, l-, vasopressin; SCHEMBL14027607; H01BA02; Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-; EX-A4284; (Deamino-Cys1,D-Arg8)-Vasopressin; 3576AH; BDBM50205308; STL581697; AKOS015994650; DB00035; HS-2010; iaminomethylidene)-D-ornithylglycinamide; 679D586; (S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-(2-amino-2-oxoethylamino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide; 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-N~5~-(d; 113-81-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:4450	.	.	.	1069.2	C46H64N14O12S2	489	2040	-4	74	13	15	19	"1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1"	C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N	NFLWUMRGJYTJIN-PNIOQBSNSA-N
DG01137	Oxiconazole	5353853	"Oxiconazole; 64211-45-6; Oxiconazol; Oxiconazolum; Oxizole; UNII-C668Q9I33J; CHEBI:7825; Oxiconazol [INN-Spanish]; Oxiconazolum [INN-Latin]; C668Q9I33J; 2',4'-Dichloro-2-imidazol-1-ylacetophenone (Z)-(O-(2,4-dichlorobenzyl)oxime); Oxiconazole [INN:BAN]; (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine; 2',4'-Dichloro-2-imidazol-1-ylacetophenone (Z)-[O-(2,4-dichlorobenzyl)oxime]; C18H13Cl4N3O; Oxiconazole (INN); 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl) oxime; 2',4'-Dichlor-O-(2,4-dichlorbenzyl)-2-(1-imidazolyl)-(Z)-acetophenonoxim; CHEMBL1262; SCHEMBL34519; BSPBio_003582; BIDD:GT0685; SCHEMBL4540297; DTXSID8040690; CHEBI:94548; HMS2090F15; AMY32552; ZINC3873296; BDBM50051844; AKOS015906762; DB00239; NCGC00177980-01; NCGC00177980-07; AC-12722; Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-((2,4-dichlorophenyl)methyl)oxime, (Z)-; SBI-0206749.P001; C08074; D08313; AB01275511-01; AB01275511_02; 211O456; BRD-K56104152-008-02-5; BRD-K56104152-008-03-3; (1Z)-N-[(2,4-dichlorobenzyl)oxy]-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanimine; (E)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one O-(2,4-dichlorobenzyl) oxime; 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl)oxime"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:7825	DB00239	.	DR1215	429.1	C18H13Cl4N3O	39.4	481	6.1	26	0	3	6	"1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+"	C1=CC(=C(C=C1Cl)Cl)CO/N=C(\\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl	QRJJEGAJXVEBNE-HKOYGPOVSA-N
DG01140	Levallorphan	5359371	"Levallorphan; Naloxiphan; Lorfan; 152-02-3; 17-Allylmorphinan-3-ol; UNII-353613BU4U; N-Allyl-3-hydroxymorphinan; L-N-Allyl-3-hydroxymorphinan; (-)-3-Hydroxy-N-allylmorphinan; CHEBI:6431; Levo-3-hydroxy-N-allyl morphinan; CHEMBL1254682; Levallofano [DCIT]; Morphinan-3-ol, 17-allyl-; Ro-1-7700; 353613BU4U; Levallofano; Levallorphane; Levallorphanum; Levalorfano; Morphinan, 17-allyl-3-hydroxy-; Levalorfano [INN-Spanish]; Levallorphane [INN-French]; Levallorphanum [INN-Latin]; DSSTox_CID_3205; DSSTox_RID_76925; DSSTox_GSID_23205; Levallorphan [INN:BAN]; CAS-152-02-3; HSDB 2148; EINECS 205-799-1; NCGC00162247-02; 17-prop-2-en-1-ylmorphinan-3-ol; Morphinan-3-ol, 17-allyl-, (-)-; SCHEMBL34060; (-)-17-allylmorphinan-3-ol; GTPL7209; (a^ -17-allylmorphinan-3-ol; DTXSID9023205; (levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol; 17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol( Levallorphan); 17-allyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (Levallorphan); ZINC3875992; Tox21_112005; BDBM50326673; Tox21_112005_1; DB00504; NCGC00162247-06; C07069; Q6534827; (1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol; (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:6431	DB00504	.	.	283.4	C19H25NO	23.5	408	3.5	21	1	2	2	"1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1"	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O	OZYUPQUCAUTOBP-QXAKKESOSA-N
DG01146	Strontium-89	5388880	"Strontium-89; UNII-K59O1PY9WF; K59O1PY9WF; 14158-27-1; Strontium Sr-89; Strontium, isotope of mass 89; Sr 89; Q2404445"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	88.907	Sr	0	0	.	1	0	0	0	1S/Sr/i1+1	[89Sr]	CIOAGBVUUVVLOB-OUBTZVSYSA-N
DG01149	Calcium	5460341	"7440-70-2; Ca; Calcium; Elemental calcium; Calcium, elemental; UNII-SY7Q814VUP; Calcium hydride (CaH); SY7Q814VUP; MFCD00010897; MFCD00085314; Calcium compounds; HSDB 273; EINECS 231-179-5; UN1401; Kalzium; calcium atom; Calcium ingot; Calcium Chelate; Calcium shot; Calcium granules; Calcium turnings; Bio Lacta Cal; calcium(0); Calcium turnings, 2N; Calcium, Natural Milk; Calcium, granular, 99%; 20Ca; EC 231-179-5; Calcium granules, -9 mesh; Calcium Krebs 21% 40M; Calcium Milk Calcium 28%; Calcium Sweet Chelate 20%; Calcium Oratate 11% 40M; Ca(0); Calcium hydride, coarse powder; Calcium MS Plus 18% 40M; CHEMBL2146121; DTXSID9050484; CHEBI:22984; CHEBI:29320; HSDB 6931; Calcium, pieces, <1 cm, 99%; Calcium crystalline dendritic pieces; 8183AF; Calcium, crystalline, dendritic, 4N; Calcium shot, 1cm (0.4in) & down; DB01373; Calcium granules, redistilled, -6 mesh; Calcium, SAJ first grade, >=99.5%; Calcium granules, redistilled, -16 mesh; BP-31015; Calcium [UN1401] [Dangerous when wet]; Calcium hydride, 99.9% trace metals basis; Calcium, turnings, 99% trace metals basis; Calcium Bio Calcium MS (Maxium Solubility) 40M; Calcium Bio Calcium MS Plus(Maxium Solubility) 40M; Calcium hydride, powder, 99.99% trace metals basis; Calcium hydride, reagent grade, 95% (gas-volumetric); C000001000; Calcium hydride, chunks, +4 mesh, reagent grade, 95%; Calcium, AAS standard solution, Specpure , Ca 1000 g/ml; Calcium, Oil based standard solution, Specpure, Ca 1000g/g; Calcium, Oil based standard solution, Specpure , Ca 5000 g/g; Calcium, plasma standard solution, Specpure , Ca 10,000 g/ml; Calcium, plasma standard solution, Specpure , Ca 1000 g/ml; Calcium hydride, purum p.a., >=97.0% (gas-volumetric), powder; Calcium hydride, powder, 0-2 mm, reagent grade, >=90% (gas-volumetric); Calcium, dendritic pieces, purified by distillation, 99.5% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.9% trace metals basis; Calcium, dendritic pieces, purified by distillation, 99.99% trace metals basis"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:22984	DB01373	.	.	40.08	Ca	0	0	.	1	0	0	0	1S/Ca	[Ca]	OYPRJOBELJOOCE-UHFFFAOYSA-N
DG01152	Arglabin	5574924	"Arglabin; (+)-arglabin; 84692-91-1; UNII-YS8UOP7QZ1; YS8UOP7QZ1; CHEBI:73228; 3H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-; Arglabin=DMA; (+)-Arglabin(+)-Arglabin; SCHEMBL60010; CHEMBL2206431; BCP09930; ZINC2114142; BDBM50433455; AKOS030485961; MCULE-7361304189; HY-16059; Q24522351; 1beta,10beta-epoxyguaia-3,11(13)-dien-12,6alpha-olide; (1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one; (1R,3S,6S,10S,11S)-3,12-Dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one; (3aR,4aS,6aS,9aS,9bR)-1,4a-dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:73228	.	.	.	246.3	C15H18O3	38.8	506	1.7	18	0	3	0	"1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1"	CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4	UVJYAKBJSGRTHA-CUZKYEQNSA-N
DG01153	Guanabenz	5702063	"Guanabenz; Wy 8678 base; Guanabenzum; Wytensin; Wy 8678; Wy-8678; NSC-68982; N-(2,6-Dichlorobenzylidene)-N'-amidinohydrazine; 5051-62-7; ((2,6-Dichlorobenzylidene)amino)guanidine; GBZ; UNII-GGD30112WC; Hydrazinecarboximidamide, 2-((2,6-dichlorophenyl)methylene)-; CHEBI:5553; MLS000736759; 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine; [(2,6-Dichlorobenzylidene)amino]guanidine; GGD30112WC; NSC 68982; Guanabenz [USAN:INN]; Guanabenzum [INN-Latin]; Guanabenzo [INN-Spanish]; Guanabenzo; SMR000528313; Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-; N-((2,6-Dichlorobenzylidene)amino)guanidine; Guanabenz (USAN/INN); EINECS 225-750-8; NSC68982; 2-((2,6-Dichlorophenyl)methylene)-hydrazinecarboximidamide; NCGC00024846-03; 1-(2,6-Dichlorobenzylideneamino)guanidine; Prestwick2_000096; Prestwick3_000096; Guanidine, ((2,6-dichlorobenzylidene)amino)-; CHEMBL420; (E)-2-(2,6-dichlorobenzylidene)hydrazinecarboximidamide; Lopac0_000601; SCHEMBL15389; BSPBio_000052; BPBio1_000058; GTPL5443; BDBM81979; BDBM96725; CHEBI:92998; cid_5702063; HMS2089G13; NSC_3517; BDBM50225293; CAS_65636; NSC_65636; s4481; ZINC12503139; CCG-204690; SDCCGSBI-0050583.P002; Guanidine,6-dichlorobenzylidene)amino]-; NCGC00024846-02; NCGC00024846-04; NCGC00024846-05; NCGC00024846-06; NCGC00024846-09; NCGC00024846-16; LS-13410; CAS_5051-62-7; CS-0368548; 1-(2,6-dichlorobenzyl-ideneamino)-*guanidine; C07034; D04375; 2-[(E)-(2,6-dichlorobenzylidene)amino]guanidine; L000834; 2-(2,6-Dichlorobenzylidene)hydrazinecarboximidamide; Hydrazinecarboximidamide,6-dichlorophenyl)methylene]-; 2-[(E)-(2,6-dichlorophenyl)methyleneamino]guanidine; 2-{[(2,6-dichlorophenyl)methylidene]amino}guanidine; BRD-K62736196-015-13-6; BRD-K67847053-015-08-8; Guanidine, ((2,6-dichlorobenzylidene)amino)- (8CI); 2-(2,6-Dichlorobenzylidene)hydrazine-1-carboximidamide; (2E)-2-(2,6-Dichlorobenzylidene)hydrazinecarboximidamide; (E)-2-(2,6-Dichlorobenzylidene)hydrazine-1-carboximidamide; 2-[(E)-[2,6-bis(chloranyl)phenyl]methylideneamino]guanidine; 60329-03-5"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:5553	DB00629	DR01410	DR0794	231.08	C8H8Cl2N4	76.8	228	1.7	14	2	2	2	"1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+"	C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl	WDZVGELJXXEGPV-YIXHJXPBSA-N
DG01154	Cefoselis	5748845	"Cefoselis; UNII-0B50MLU3H1; Wincef; 122841-10-5; 0B50MLU3H1; (6R,7R)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; C19H22N8O6S2; SCHEMBL74633; SCHEMBL74635; CHEMBL2105940; DTXSID3048285; BDBM50485614; Q768; (-)-5-Amino-2-(((6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-hydroxyethyl)pyrazolium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime); (-)-5-Amino-2-(((6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-hydroxyethyl)pyrazolium hydroxide, inner salt, 7,2-(Z)-(o-methyloxime)."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	522.6	C19H22N8O6S2	259	930	-0.9	35	4	12	8	"1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1"	CO/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)[O-]	BHXLLRXDAYEMPP-SBGRAJFYSA-N
DG01157	Remikiren	6324659	"Remikiren; Ro 42-5892; UNII-LC7FBL96A4; Remikiren [INN]; 126222-34-2; Ro-42-5892; LC7FBL96A4; CHEMBL31601; Remikiren (INN); 135669-48-6; (2S)-2-benzyl-3-tert-butylsulfonyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide; Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide; remikirene; remikireno; remikirenum; CCRIS 6519; SCHEMBL156393; CHEBI:8803; SCHEMBL19792404; 3d91; ZINC4217406; BDBM50077669; DB00212; C07465; D09038; Q417432; (alphaS)-alpha-((alphaS)-alpha-((tert-Butylsulfonyl)methyl)hydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)imidazole-4-propionamide; (S)-2-Benzyl-N-[(S)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide; (S)-alpha-[(S)-alpha-[(tert-butylsulphonyl)methyl]hydrocinnamamido]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-imidazole-4-propionamide; (S)-alpha-[(S)-alpha-[(tert-butylsulphonyl)methyl]hydrocinnamamido]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]imidazole-4-propionamide; 1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((2-(((1,1-dimethylethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (1S-(1R*(R*(R*)),2S*,3R*))-; 2-Benzyl-N-[1-(1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-3-(2-methyl-propane-2-sulfonyl)-propionamide(remikiren); N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-Nalpha-{(2S)-2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl}-L-histidinamide; Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-L-histidinamide; REM"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:8803	DB00212	.	.	630.8	C33H50N4O6S	170	1030	4	44	5	7	16	"1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1"	CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O	UXIGZRQVLGFTOU-VQXQMPIVSA-N
DG01160	Palonosetron	6337614	"Palonosetron; 135729-61-2; Aloxi; (-)-Palonosetron; Palonosetron [INN]; UNII-5D06587D6R; Aloxi (TN); (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one; CHEBI:85161; Palonosetron (INN); 2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one; 2-Qhbiqo; 5D06587D6R; (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one; NSC-743769; Palonosetronum; 149653-99-6; Palonosetron; Aloxi; SCHEMBL3746; (S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one; Palonosetron, (3as, 3s)-; GTPL7486; CHEMBL1189679; DTXSID5048342; SCHEMBL13391549; (S)-2-((S)-quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one; HMS3886A22; BCP07225; HY-A0018; ZINC3795819; BDBM50417287; MFCD07783848; s5740; AKOS015967749; AKOS025311243; CS-0385; DB00377; NSC 743769; NCGC00271490-05; AS-35217; P-226; D07175; AB00698542-05; AB00698542_07; 653P996; Q-100993; Z2216208607; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one.; (5S)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-trien-2-one; 1021481-16-2; 1H-Benz(de)isoquinolin-1-one, 2-(1-azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-, (S-(R*,R*))-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85161	DB00377	DR00394	.	296.4	C19H24N2O	23.6	456	2.8	22	0	2	1	"1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1"	C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5	CPZBLNMUGSZIPR-NVXWUHKLSA-N
DG01161	Cefonicid	43594	"CEFONICID; 61270-58-4; Cefonicido; Cefonicidum; Cefonicidum [INN-Latin]; Cefonicido [INN-Spanish]; UNII-6532B86WFG; CHEBI:3491; 6532B86WFG; (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefonicid [INN:BAN]; Monocef; Cefonicid (INN); Monocef (TN); BRN 1066181; CHEMBL1601; SCHEMBL60350; BIDD:GT0667; DTXSID7022758; ZINC3830428; DB01328; C06882; D07644; 270C584; A833135; Q5057286; BRD-K34058848-304-03-1; (6R,7R)-7-((R)-2-hydroxy-2-phenylacetamido)-8-oxo-3-((1-(sulfomethyl)-1H-tetrazol-5-ylthio)methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[(2R)-2-hydroxy-2-phenylacetamido]-8-oxo-3-({[1-(sulfomethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-hydroxy-1-oxo-2-phenylethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]thio}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-8-oxidanylidene-7-[[(2R)-2-oxidanyl-2-phenyl-ethanoyl]amino]-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-8-oxo-3-(((1-sulfomethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6-alpha,7-beta(R*)))-; 6beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-({[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)ceph-3-em-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3491	DB01328	.	.	542.6	C18H18N6O8S3	264	999	-1.9	35	4	13	9	"1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O	DYAIAHUQIPBDIP-AXAPSJFSSA-N
DG01162	Cefatrizine	6410758	"CEFATRIZINE; 51627-14-6; Cefatrizinum; BL-S640; Antibiotic BL-S 640; BLS 640; BL-S 640; SKF 60771; UNII-8P4W949T8K; Cephatriazine; 8P4W949T8K; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; NCGC00185755-01; Cepticol; S 640P; Cefatrizino; Orosporina; Cefatrix; Cetrazil; Latocef; Trizina; Bricef; CEFATRIZINE PROPYLENE GLYCOL; Cefatrizinum [INN-Latin]; Cefatrizino [INN-Spanish]; cefatrizina; Cefatrizine [USAN:INN:BAN]; t-amyl; Cefathiamidine,(S); EINECS 257-324-2; S-640P; Cefatrizine (USAN); DSSTox_CID_2752; DSSTox_RID_76716; DSSTox_GSID_22752; SCHEMBL49503; CHEMBL1095284; DTXSID7022752; J01DB07; CHEBI:131730; ZINC3830404; Tox21_113376; DB13266; (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-((v-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-, (6R-(6alpha,7beta(R*)))-; CAS-51627-14-6; D02406; 627C146; A828691; Q3009981; (6R,7R)-3-(((1H-1,2,3-Triazol-5-yl)thio)methyl)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-3-(acetoxymethyl)-7-(2-((E)-N,N'-diisopropylcarbamimidoylthio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2R)-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (7R)-7-(alpha-D-4-hydroxyphenylglycylamino)-3-(1H-1,2,3-triazol-4-ylthiomethyl)-3-cephem-4-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:131730	.	.	.	462.5	C18H18N6O5S2	225	775	-2.3	31	5	10	7	"1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1"	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4	UOCJDOLVGGIYIQ-PBFPGSCMSA-N
DG01168	Dirithromycin	6473883	"Dirithromycin; 62013-04-1; Dirithromycine; Dirithromycinum; Diritromicina; Dynabac; LY 237216; LY-237216; UNII-1801D76STL; MLS000028564; (9S)-9-Deoxo-11-deoxy-9,11-(imino((1R)-2-(2-methoxyethoxy)ethylidene)oxy)erythromycin; SMR000058954; MLS001074061; CHEBI:474014; 1801D76STL; MFCD00865041; C42H78N2O14; LY237216; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadec-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-ethyl-2,10-dihydroxy-7-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-15-((2-methoxyethoxy)methyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; Dirithromycine [French]; Dirithromycinum [Latin]; Diritromicina [Spanish]; Divitross; Noriclan; Valodin; CCRIS 9506; NSC-758672; NCGC00178154-03; DI0; Dynabac (TN); Dirithromycin [USAN:USP:INN:BAN]; Spectrum_001476; SpecPlus_000868; Opera_ID_1686; Prestwick3_000557; Spectrum2_001655; Spectrum3_001630; Spectrum4_000597; Spectrum5_000715; Dirithromycin (USP/INN); BSPBio_000633; BSPBio_003299; KBioGR_001094; KBioSS_001956; DivK1c_006964; SPECTRUM1504144; SPBio_001809; BPBio1_000697; CHEMBL1237072; CHEMBL3039471; BDBM59397; cid_6473883; KBio1_001908; KBio2_001956; KBio2_004524; KBio2_007092; KBio3_002519; ASE 136; ASE-136; HMS1922D13; HMS2093A06; HMS2096P15; HMS2233M04; HMS3713P15; AS-E 136; CCG-39072; ZINC96095661; AKOS025310151; DB00954; NSC 758672; Erythromycin, 9-deoxo-11-deoxy-9,11-(imino(2-(2-methoxyethoxy)ethylidene)oxy)-, (9S(R))-; NCGC00178154-01; NCGC00178154-02; SBI-0052687.P002; AB00513862; D03865; J10400; T72716; AB00053192_13; 013D041; A833532; SR-01000721832; SR-05000001888; Q1989071; SR-01000721832-3; SR-05000001888-1; (9S)-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]erythromycin; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside; (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; (1S,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-4,12-bis(oxidanyl; (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10; [9S(R)]-9-Deoxo-11-deoxy-9,11-[imino[2-(2-methoxy)ethylidene]oxy]erthromycin; LY-237216"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:474014	DB00954	DR01366	DR0516	835.1	C42H78N2O14	196	1300	4.2	58	5	16	12	"1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1"	CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O	WLOHNSSYAXHWNR-DWIOZXRMSA-N
DG01171	Carumonam	6540466	"Carumonam; 87638-04-8; Carumonamum; UNII-486890PI06; CHEBI:55486; 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid; 486890PI06; CRMN; ({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetic acid; Carumonamum [Latin]; Carumonam [INN:BAN]; CCRIS 1924; Carumonam (INN); SCHEMBL49606; CHEMBL1614658; DTXSID3048312; ZINC13831159; AKOS015961995; DB13553; (((2-((2-(((Aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)acetic acid (2S-(2alpha,3alpha(Z)))-; AC-15442; D07625; A834910; J-505187; Q5047478; 2-((((Z)-1-(2-Aminothiazol-4-yl)-2-(((2S,3S)-2-((carbamoyloxy)methyl)-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)acetic acid; 2-(((E)-(1-(2-Aminothiazol-4-yl)-2-(((2s,3s)-2-((carbamoyloxy)methyl)-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)ac etic acid; 2-[(Z)-[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxyacetic acid; 2-[(Z)-[2-[[(2S,3S)-2-(aminocarbonyloxymethyl)-4-oxidanylidene-1-sulfo-azetidin-3-yl]amino]-1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-ethylidene]amino]oxyethanoic acid; 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}acetic acid; Acetic acid, (((2-((2-(((aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)-, (2S-(2alpha,3alpha(Z)))-; Acetic acid, (((Z)-(2-(((2S,3S)-2-(((aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azetidinyl)amino)-1-(2-amino-4-thiazolyl)-2-oxoethylidene)amino)oxy)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55486	.	.	.	466.4	C12H14N6O10S2	291	858	-1.4	30	5	14	10	"1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1"	C1=C(N=C(S1)N)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)COC(=O)N	UIMOJFJSJSIGLV-JNHMLNOCSA-N
DG01173	Dantrolene	6914273	"Dantrolene; 7261-97-4; Dantrolenum [INN-Latin]; Dantroleno [INN-Spanish]; Dantroleno; UNII-F64QU97QCR; F-368; Dantrolenum; Ryanodex; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin; C14H10N4O5; F64QU97QCR; Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-; 1-(((5-(4-Nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-; 1-(((5-(4-Nitrophenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione; 833480-90-3; 1-[[5-(p-Nitrophenyl)furfurylidene]amino]hydantoin; 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-; HSDB 3050; Dantrolene (USAN/INN); EINECS 230-684-8; BRN 0705189; Dantrolene [USAN:INN:BAN]; Prestwick2_000291; Prestwick3_000291; Spectrum5_001752; NCGC00163132-01; 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione; Lopac0_000424; SCHEMBL40893; BSPBio_000222; BSPBio_001305; BSPBio_003074; BIDD:GT0187; BPBio1_000246; CHEMBL1201288; SCHEMBL12417164; BAS-3050F; BCBcMAP01_000067; AMY8921; BAS-305; DTXSID70873546; (E)-1-(((5-(4-nitrophenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione; HMS1361B07; HMS1791B07; HMS1989B07; HMS3402B07; 85008-71-5; ZINC7997966; BDBM50198767; DB01219; SHA-458100; 1-({(1E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; IDI1_000898; IDI1_033775; NCGC00163402-01; NCGC00163402-02; NCGC00163402-03; NCGC00188950-01; BS-48947; HY-12542; R452; CS-0011998; A13928; C06939; D02347; SR-01000076241-8; BRD-K81272440-001-02-6; BRD-K81272440-236-05-1; 1-[5-(4-nitro-phenyl)-furan-2-ylmethyleneamino]-imidazolidine-2,4-dione; 1-(((E)-[5-(4-Nitrophenyl)-2-furyl]methylidene)amino)-2,4-imidazolidinedione #; [4-(5-{(E)-[(2,4-Dioxoimidazolidin-1-yl)imino]methyl}furan-2-yl)phenyl](hydroxy)oxoammonium"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB01219	.	.	314.25	C14H10N4O5	121	524	1.7	23	1	6	3	"1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+"	C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]	OZOMQRBLCMDCEG-VIZOYTHASA-N
DG01176	Ciclesonide	6918155	"Ciclesonide; Omnaris; Alvesco; 126544-47-6; Zetonna; RPR251526; UNII-S59502J185; RPR-251526; 141845-82-1; S59502J185; [2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate; Osonase; Osonide; Omnair; RPR 251526; Alvesco HFA; Omnaris HFA; Alvesco (TN); Omnaris (TN); [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-Cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate; Ciclesonide [USAN:INN]; BTR-15K; Ciclesonide (JAN/USAN/INN); BTR-15; TBN-15; (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate; NCGC00167484-01; (11 ,16 )-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-pregna-1,4-diene-3,20-dione; Alvesco 80; Zetonna (TN); Alvesco, Ciclesonide; BYK-20426; Alvesco 160; BY-9010; KS-1165; AC1MIWNR; SCHEMBL3688; DSSTox_CID_26659; DSSTox_RID_81802; DSSTox_GSID_46659; B-9207-015; GTPL7469; el-87-6; CHEMBL2040682; DTXSID9046659; CHEBI:31397; Ciclesonide, >=98% (HPLC); HMS3714N07; EX-A4195; HY-B0625; ZINC3915154; Tox21_112486; BDBM50247997; s4646; AKOS015994702; AC-1330; BI54903; CCG-269962; DB01410; NCGC00167972-01; O945; Pregna-1,4-diene-3,20-dione, 16,17-(((R)-cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 16,17-((cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha(R))-; Ciclesonide 100 microg/mL in Acetonitrile; CAS-141845-82-1; C72110; D01703; 544C476; A899067; SR-01000942227; Q5119448; SR-01000942227-1; Ciclesonide, European Pharmacopoeia (EP) Reference Standard; (11 ,16 )-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione; 2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-cyclohexyl-7-hydroxy-6a,8a-dimethyl-4-oxo-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl isobutyrate; 2H-Naphth (2',1':4,5) indeno (1,2-d) (1,3) dioxole, pregna-1,4-diene-3,20-dione deriv."	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:31397	DB01410	DR01408	DR0319	540.7	C32H44O7	99.1	1100	5.3	39	1	7	6	"1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1"	CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6	LUKZNWIVRBCLON-GXOBDPJESA-N
DG01180	Prasugrel	6918456	"Prasugrel; 150322-43-3; Effient; Efient; CS-747; Prasugrel (Effient); 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate; LY640315; LY-640315; CS 747; Pcr 4099; CHEBI:87723; 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl acetate; Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-; Prasita; SMR002533665; Prasugrel [INN:BAN]; NCGC00188690-01; NCGC00188690-02; HSDB 7995; NSC-759625; Prasugrel- Bio-X; Prasugrel-[d5]; Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-; 2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone; MLS003882595; MLS006012001; SCHEMBL245032; GTPL7562; CHEMBL1201772; Prasugrel, >=98% (HPLC); SCHEMBL14112007; DTXSID70861544; HMS3604B09; HMS3654D09; HMS3884I07; ACT06208; BCP01882; FD7194; MFCD09954140; s1258; STL232602; ZB0747; AKOS015841187; AC-1640; CCG-268338; CS-0657; DB06209; KS-5301; MCULE-1302242257; NSC 759625; PB23765; SB20805; NCGC00188690-03; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; 2-acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; BP164290; HY-15284; AM20090728; FT-0650150; P2040; SW219175-1; W0064; AB01274761-01; AB01274761_02; 322P433; A809033; AR-270/43507998; Q416232; Q-101872; [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[4,5-c]pyridin-2-yl] acetate; 2-Acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c] pyridine; 2-Acetoxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 2-acetyloxy-5-(alpha-cyclopropylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 2-acetyloxy-5-(alpha-cycloproylcarbonyl-2-fluorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-C]pyridine; Acetic acid 5-[2-cyclopropyl-1-(2-fluoro-phenyl)-2-oxo-ethyl]-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-2-yl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:87723	DB06209	.	.	373.4	C20H20FNO3S	74.8	555	3.6	26	0	6	6	"1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3"	CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4	DTGLZDAWLRGWQN-UHFFFAOYSA-N
DG01181	Voclosporin	6918486	"Voclosporin; 515814-01-4; Luveniq; ISAtx-247; Voclosporin [USAN]; ISA-247; ISATX247; ISA247; Lupkynis; UNII-2PN063X6B1; R 1524; ISA(TX)247; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone; 515814-00-3; R-1524; 2PN063X6B1; LX211; trans-ISA 247; ISA 247; LX-211; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhepta-4,6-dien-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone; trans-ISA-247; Voclosporin (USAN/INN); Voclosporin [USAN:INN]; Voclera; ISATX 247; 3odi; LX-214; ISAtx-247; Luveniq; E-ISA247; SCHEMBL12632344; GTPL11388; CHEBI:135957; (E)-ISA-247; EX-A5922; AT27977; DB11693; HY-106638; CS-0026210; R1524; D09033; Q7939256; Cyclosporin A, 6-((2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid)-; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dien-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone; 1,11-anhydro[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl- N-methyl-L-valyl-[(2S,3R,4R,6E)-3-hydroxy-4-methyl- 2-(methylamino)nona-6,8-dienoyl][(2S)-2-aminobutanoyl]- N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135957	DB11693	.	.	1214.6	C63H111N11O12	279	2380	7.9	86	5	12	16	"1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1"	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	BICRTLVBTLFLRD-PTWUADNWSA-N
DG01183	Chlorhexidine	9552079	"Chlorhexidine; 55-56-1; Rotersept; Fimeil; Hexadol; Soretol; Chlorhexidin; Chlorhexidinum; Cloresidina [DCIT]; Chlorhexidin [Czech]; Chlorhexidinum [INN-Latin]; Clorhexidina [INN-Spanish]; Nolvasan; Hibistat; 1,6-Bis(p-chlorophenyldiguanido)hexane; 1,6-Di(4'-chlorophenyldiguanido)hexane; UNII-R4KO0DY52L; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane; Chlorohexidine; Exidine; Tubulicid; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-; Sterilon; CHEMBL790; R4KO0DY52L; MLS001332388; CHEBI:3614; Cloresidina; Clorhexidina; 56-95-1; Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-; CAS-55-56-1; NCGC00016246-03; SMR000857146; Sterido; Savlon babycare; N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; DSSTox_CID_13314; DSSTox_RID_79062; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; DSSTox_GSID_33314; Chlorhexidine [INN:BAN]; Chlorhexidine dihydrochloride; Merfen-incolore; MLS001304094; 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine; N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide; CCRIS 9230; Chlorhexidine (INN); C22H30Cl2N10; HSDB 7196; Merfen-incolore (TN); SR-01000799135; Nolvasan (*Diacetate*); 1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide); 1,1'-hexamethylenebis[5-(p-chlorophenyl)biguanide]; SMR000718621; EINECS 200-238-7; Lisium (*Dihydrochloride*); BRN 2826432; 1,6-Di(N-p-chlorophenyldiguanido)hexane; Chlorhexadine; Dentisept; Dentisept [veterinary] (TN); 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; Prestwick_53; Chlorhexidine (1); Hibidil (Salt/Mix); Hibisol (Salt/Mix); Chlorhexidine diacetate salt hydrate; Hibitane (Salt/Mix); Hibiscrub (Salt/Mix); Hibispray (Salt/Mix); NSC526936; Spectrum_000237; Savloclens (Salt/Mix); 3697-42-5; Prestwick0_000143; Prestwick1_000143; Prestwick2_000143; Prestwick3_000143; Spectrum2_000135; Spectrum3_000339; Spectrum4_000277; Spectrum5_001322; Hexamethylenebis(5-(4-chlorophenyl)biguanide); EC 200-238-7; SCHEMBL3984; Chlorhexidine, >=99.5%; BSPBio_000246; BSPBio_001977; KBioGR_000774; KBioSS_000717; 4-12-00-01201 (Beilstein Handbook Reference); MLS001332387; MLS002154209; DivK1c_000761; SPBio_000210; SPBio_002185; BPBio1_000272; DTXSID2033314; BDBM51937; BDBM64773; cid_9552079; KBio1_000761; KBio2_000717; KBio2_003285; KBio2_005853; KBio3_001197; 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino-; cid_12303047; NINDS_000761; REGID_for_CID_9552079; BDBM152706; HMS1568M08; HMS2095M08; HMS2233B16; HMS3712M08; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine; HY-B1248; Tox21_110325; Tox21_201404; Tox21_303445; BDBM50170723; s5397; STK089248; AKOS005394319; Tox21_110325_1; CCG-220143; CS-4958; DB00878; MCULE-4644073142; 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-; IDI1_000761; N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca- nediimidamide; QTL1_000020; NCGC00016246-01; NCGC00016246-02; NCGC00016246-04; NCGC00016246-05; NCGC00016246-06; NCGC00016246-07; NCGC00016246-09; NCGC00016246-13; NCGC00016246-21; NCGC00091025-01; NCGC00091025-02; NCGC00091025-04; NCGC00247766-01; NCGC00257242-01; NCGC00258955-01; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine; AS-12648; Chlorhexidine, purum, >=99.0% (HPLC); SBI-0051301.P003; AB00053427; C06902; D07668; AB00053427-24; AB00053427-28; AB00053427_29; 009C673; A830704; Q-200828; SR-01000799135-5; 1,1''-Hexamethylene bis(5-(p-chlorophenyl)biguanide); BRD-K52256627-300-03-3; BRD-K52256627-300-05-8; SR-01000799135-10; SR-01000799135-11; Chlorhexidine, European Pharmacopoeia (EP) Reference Standard; 1,1'-(Hexane-1,6-diyl)bis[5-(4-chlorophenyl)biguanide] diacetate; Chlorhexidine, United States Pharmacopeia (USP) Reference Standard; Chlorhexidine, Pharmaceutical Secondary Standard; Certified Reference Material; N'',N''''''''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;hydrochloride; (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine; (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine;hydrochloride; 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine; 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine;hydrochloride"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:3614	DB00878	DR00848	DR2666	505.4	C22H30Cl2N10	178	649	0.1	34	6	2	13	"1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)"	C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\\N)N)N)/N)Cl	GHXZTYHSJHQHIJ-UHFFFAOYSA-N
DG01186	Cefmenoxime	9570757	"Cefmenoxime; Cefmenoximum; Cefmenoxima; 65085-01-0; Cefmenoxime [INN]; Cefmenoximum [INN-Latin]; Cefmenoxima [INN-Spanish]; UNII-KBZ4844CXN; Cefmenoxime (INN); KBZ4844CXN; SCE-1365; (6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-3-((1-methyl-1H-5-tetraazolylthio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; CHEBI:55490; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; SCE 1365; CMX; A 50912; AB 50912; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (IUPAC); (6R,7R)-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure-7-(Z)-(O-methyloxim); 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-; SCHEMBL152861; CHEMBL1201224; DTXSID2022755; (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; ZINC3871927; AKOS030573275; DB00267; NCGC00373220-03; (6R,7R)-7-({(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(methyloxy)imino]acetyl}amino)-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid; D07641; 085C010; A834966; (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:55490	DB00267	.	.	511.6	C16H17N9O5S3	270	890	0	33	3	14	8	"1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1"	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\\OC)/C4=CSC(=N4)N)SC2)C(=O)O	HJJDBAOLQAWBMH-YCRCPZNHSA-N
DG01189	Lobeglitazone	9826451	"Lobeglitazone; 607723-33-1; 5-(4-(2-((6-(4-Methoxyphenoxy)pyrimidin-4-yl)(methyl)amino)ethoxy)benzyl)thiazolidine-2,4-dione; Lobeglitazone [INN]; CKD501; SCHEMBL2742697; CHEMBL3585580; CHEBI:136052; DB09198; SB16869; 5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; DB-090849; Q18350076"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:136052	DB09198	.	.	480.5	C24H24N4O5S	128	670	4.3	34	1	9	10	"1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)"	CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC	CHHXEZSCHQVSRE-UHFFFAOYSA-N
DG01193	Treosulfan	9882105	"Treosulfan; 299-75-2; Treosulphan; Ovastat; NSC 39069; Dihydroxybusulfan; UNII-CO61ER3EPI; NSC-39069; (2S,3S)-Threitol 1,4-bismethanesulfonate; CO61ER3EPI; CHEBI:82557; l-Threitol-1,4-bis(methanesulfonate); CB 40067; (2S,3S)-2,3-dihydroxybutane-1,4-diyl dimethanesulfonate; threosulphan; Treosulfano; Treosulfanum; Treosulfanum [INN-Latin]; Treosulfano [INN-Spanish]; CCRIS 2781; HSDB 6963; DHB; EINECS 206-081-0; L-Threitol, 1,4-bis(methanesulfonate); 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))-; Threitol, 1,4-dimethanesulfonate, L-(+)-; Treosulfan (INN); Ovastat (TN); L-Threitol, 1,4-bismethanesulfonate; TreosulphanNSC 39069; Treosulfan [USAN:INN:BAN]; CHEMBL455186; SCHEMBL5399430; (S-(R*,R*))-1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate; WHO 3103; ZINC1671094; l-threitol-1,4-bis-methanesulfonate; s6958; L-threitol 1,4-bis(methanesulfonate); CS-3889; DB11678; HY-16503; PS-12126; C19557; D07253; A912763; Threitol, 1,4-dimethanesulfonate, (2S,3S)- (8CI); (S)-3-BOC-AMINO-1-DIAZO-3-(4-BENZYLOXY)PHENYL-2-BUTANONE; [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate; 1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, (S-(R*,R*))- (9CI)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82557	DB11678	.	.	278.3	C6H14O8S2	144	345	-2.2	16	2	8	7	"1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1"	CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O	YCPOZVAOBBQLRI-WDSKDSINSA-N
DG01195	Selexipag	9913767	"Selexipag; 475086-01-2; NS-304; Uptravi; ACT-293987; NS 304; UNII-5EXC0E384L; ACT 293987; 5EXC0E384L; 2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)-N-(methylsulfonyl)acetamide; 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; NS-304;ACT-293987; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide; 2-(4-((5,6-Diphenylpyrazin-2-yl)(propan-2-yl)amino)butoxy}-n-(methanesulfonyl)acetamide; 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide; Selexipag [USAN:INN]; Uptravi (TN); ACT293987; NS-304(Selexipag); Selexipag(NS-304); Selexipag (JAN/USAN/INN); SCHEMBL674122; CHEMBL238804; GTPL7552; CHEBI:90844; AMY10851; BCP09146; ZINC3990451; 3938AH; BDBM50235383; MFCD10567093; s3726; AKOS024457572; CCG-269668; CS-3774; DB11362; SB17055; 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}-N-(methylsulfonyl)acetamide; NCGC00370833-01; NCGC00370833-02; AC-30209; BS-16872; HY-14870; DB-119997; B7378; FT-0776043; D09994; A857156; Q15424759; 2-(4-((5,6-diphenyl-2-pyrazinyl)(isopropyl)amino)butoxy)-n-(methylsulfonyl)acetamide; 2-(4-((5,6-Diphenylpyrazinyl)(1-methylethyl)amino)butoxy)-N-(methylsulfonyl)-acetamide; 2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide; 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-methanesulfonylacetamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:90844	DB11362	.	DR1471	496.6	C26H32N4O4S	110	730	3.8	35	1	7	12	"1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)"	CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3	QXWZQTURMXZVHJ-UHFFFAOYSA-N
DG01201	Pimavanserin	10071196	Pimavanserin; 706779-91-1; ACP-103; 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea; Pimavanserin free base; UNII-JZ963P0DIK; JZ963P0DIK; 706779-91-1 (free base); 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea; N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide; N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl)carbamide; Pimavanserin [INN]; 706782-28-7; Pimanavserin; methyltrimethylacetate; AC-5273; Pimavanserin(ACP-103); SCHEMBL675165; Nuplazid (proposed trade name); GTPL8423; CHEMBL2111101; C25H34FN3O2; DTXSID90990906; CHEBI:133017; BDBM139370; HMS3742A03; BCP11618; EX-A4895; MFCD09953792; ZINC16159083; AKOS015902593; CS-3378; DB05316; ME-0240; SB16963; NCGC00390656-01; NCGC00390656-02; HY-14557; B8019; FT-0653701; Y0393; A14434; 779P911; A836958; J-503297; Q7194603; N-[(4-Fluorophenyl)Methyl]-N-(1-Methyl-4-piperidinyl)-N'-[[4-(2-Methylpropoxy)phenyl]Methyl]urea;; N-[(4-Fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}carbamimidic acid; N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133017	DB05316	.	.	427.6	C25H34FN3O2	44.8	523	4.5	31	1	4	8	"1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)"	CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C	RKEWSXXUOLRFBX-UHFFFAOYSA-N
DG01203	Besifloxacin	10178705	"Besifloxacin; 141388-76-3; UNII-BFE2NBZ7NX; BFE2NBZ7NX; 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; (R)-7-(3-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 3-Quinolinecarboxylic acid, 7-[(3R)-3-aminohexahydro-1H-azepin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-; Besifloxacin [INN]; SCHEMBL725805; QCR-76; CHEMBL1201760; DTXSID00161706; ISV-403; CHEBI:135622; ZINC3787097; s5941; AKOS005145882; AC-8867; DB06771; NCGC00386381-02; NCGC00386381-04; Z6122; A23458; AB01565807_02; 388B763; Q3638978; (R)-7-(3-aminoazepan-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; (R)-7-(3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolin; 3-Quinolinecarboxylic acid, 7-(3-aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (R)-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135622	DB06771	.	.	393.8	C19H21ClFN3O3	86.9	656	1.1	27	2	7	3	"1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1"	C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F	QFFGVLORLPOAEC-SNVBAGLBSA-N
DG01212	Tavaborole	11499245	"Tavaborole; 174671-46-6; AN-2690; 5-FLUOROBENZO[C][1,2]OXABOROL-1(3H)-OL; Kerydin; AN2690; AN 2690; 2,1-Benzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-; UNII-K124A4EUQ3; 5-fluoro-1-hydroxy-3H-2,1-benzoxaborole; 5-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol; 5-Fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole; K124A4EUQ3; CHEBI:77942; MFCD10699483; 5-fluoro-2,1-benzoxaborol-1(3H)-ol; C7H6BFO2; 5-Fluoro-3H-benzo[c][1,2)oxaborol-1-ol; 5-fluoro-3H-benzo[c][1,2]oxaborol-1-ol; Tavaborole [USAN:INN]; p-fluorbenzoxaborole; Kerydin (TN); Tavaborole (USAN); SCH-900340; AN-2690(Tavaborole); Tavaborole (AN-2690); SCHEMBL500016; CHEMBL443052; HSDB 8342; DTXSID00169888; BCP08730; EX-A1086; 3338AH; BDBM50370987; s4996; AKOS006303927; ZINC169990691; CCG-266215; CS-1058; DB09041; DS-8392; MB08883; 5-Fluoro-1-hydroxy-2,1-benzoxaborolane; NCGC00264110-01; NCGC00264110-02; AC-30887; HY-10980; SY038332; DB-100333; FT-0697827; X3699; A14999; D10169; F11396; 1,3-dihydro-5-fluoro-1-hydroxy-2,1-benzoxaborole; Q21011226; 5-Fluoro-1-hydroxyl-1,3-dihydrobenzo[c][1,2]oxaborole; Z1739256284"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:77942	DB09041	.	.	151.93	C7H6BFO2	29.5	155	.	11	1	3	0	"1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2"	B1(C2=C(CO1)C=C(C=C2)F)O	LFQDNHWZDQTITF-UHFFFAOYSA-N
DG01213	Olodaterol	11504295	"OLODATEROL; 868049-49-4; Olodaterol Free Base; BI-1744; Striverdi; BI 1744; UNII-VD2YSN1AFD; 6-Hydroxy-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-one; VD2YSN1AFD; CHEBI:82700; 868049-49-4 (free base); (R)-6-hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one; Striverdi respimat (TN); 6-Hydroxy-8-((1R)-1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-one; Olodaterol [USAN:INN]; BI 1744(Olodaterol;Striverdi Respimat); Olodaterol (USAN/INN); Olodaterol (BI 1744); SCHEMBL560926; CHEMBL605846; GTPL7543; AMY16614; BCP11473; EX-A1729; BI1744; s4485; ZINC34636383; CS-6275; DB09080; NCGC00522533-01; AC-29048; AS-74944; HY-14301; C76830; D10145; 049H494; Q7088466; 2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-((1R)-1-hydroxy-2-((2-(4-methoxyphenyl)- 1,1-dimethylethyl)amino)ethyl)-; 6-hydroxy-8-(1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-one; 6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one; 6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:82700	DB09080	.	.	386.4	C21H26N2O5	100	521	1.8	28	4	6	7	"1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1"	CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O	COUYJEVMBVSIHV-SFHVURJKSA-N
DG01216	Finafloxacin	11567473	"Finafloxacin; 209342-40-5; Xtoro; UNII-D26OSN9Q4R; D26OSN9Q4R; CHEBI:85176; Finafloxacin (INN); Finafloxacin [INN]; 8-cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; AL-60371; 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; gastrochinolon; gastroquinolone; 8-cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Xtoro (TN); BAY35-3377; QCR-30; SCHEMBL1002869; CHEMBL1908370; GTPL10809; DTXSID10175096; BCP23882; ZINC3985346; AL60371; CS-5557; DB09047; NCGC00510315-02; (-)-8-Cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo(3,4-b)-1,4-oxazin-6(2H)-yl)-4-oxo-1; AC-29291; HY-13451; D10575; Q21011229; (-)-8-Cyano-1-cyclopropyl-6-fluoro-7-((4aS,7aS)-hexahydropyrrolo(3,4-b)-1,4-oxazin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 3-Quinolinecarboxylic acid,8-cyano-1-cyclopropyl-6-fluoro-7-[(4as,7as)-hexahydropyrrolo[3,4-b]-1,4-oxazin-6(2H)-yl]-1,4-dihydro-4-oxo-; 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid,hydrochloride; 8-cyano-1-cyclopropyl-6-fluoro-7-((1S,6S)-2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 8-Cyano-1-cyclopropyl-6-fluoro-7-[(4aS,7aS)-hexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:85176	DB09047	.	.	398.4	C20H19FN4O4	106	806	-0.7	29	2	9	3	"1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1"	C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@H]5[C@H](C4)OCCN5)F)C(=O)O	FYMHQCNFKNMJAV-HOTGVXAUSA-N
DG01223	Cenobamate	11962412	"Cenobamate; 913088-80-9; Xcopri; UNII-P85X70RZWS; YKP-3089; YKP3089; P85X70RZWS; [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] Carbamate; Cenobamate [INN]; Ontozry; Xcopri (TN); YKP-3089 Cenobamate; Cenobamate (USAN/INN); Cenobamate [USAN:INN]; SCHEMBL1682643; CHEMBL3989949; GTPL10773; YKP3089YKP3089; EX-A3604; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, 2-carbamate, (alphaR)-; Carbamic acid (R)-(+)-1-(2-chlorophenyl)-2-(2H-tetrazol-2-yl)ethyl ester; DB06119; 2H-Tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, carbamate (ester), (alphaR)-; HY-17607; CS-0014686; D11150; Q27286352; (1R)-1-(2-chlorophenyl)-2-(2H-1,2,3,4-tetrazol-2-yl)ethyl carbamate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	DR0288	267.67	C10H10ClN5O2	95.9	293	1.5	18	1	5	5	"1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1"	C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl	GFHAXPJGXSQLPT-VIFPVBQESA-N
DG01224	lifitegrast	11965427	"Lifitegrast; 1025967-78-5; Xiidra; SAR 1118; SAR-1118; SHP606; (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid; UNII-038E5L962W; SHP-606; CHEMBL2048028; 038E5L962W; L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-; L-Phenylalanine, N-((2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-; Lifitegrast [USAN:INN]; Xiidra (TN); Lifitegrast (USAN/INN); Lifitegrast; SAR 1118; Lifitegrast ophthalmic solution; GTPL7533; SCHEMBL2632068; AMY4450; DTXSID60145345; SAR1118; CHEBI:133023; EX-A2582; BDBM50386331; MFCD28502439; s3714; ZINC84668739; CCG-270245; CS-6264; DB11611; compound 1g [PMID: 24900456]; (2S)-2-(((2-(Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6- yl)carbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid; AC-32534; DS-20052; HY-19344; D10374; A900838; Q23044263; (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid; N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine; N-[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl]-3-(methanesulfonyl)-L-phenylalanine"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:133023	DB11611	DR00072	.	615.5	C29H24Cl2N2O7S	142	1100	4.7	41	2	7	7	"1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1"	CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl	JFOZKMSJYSPYLN-QHCPKHFHSA-N
DG01232	Sermorelin	16132413	"SERMORELIN; Sermorelina; 86168-78-7; UNII-89243S03TE; 89243S03TE; Sermoreline; Sermorelinum; Sermoreline [French]; Sermorelinum [Latin]; Sermorelina [Spanish]; Sermorelin [INN:BAN]; SCHEMBL34139; DTXSID70903978; EX-A5534; BDBM50004966; 168S787; UNII-00IBG87IQW component WGWPRVFKDLAUQJ-MITYVQBRSA-N; Growth Hormone Releasing Factor Fragment 1-29 amide human, >=97% (HPLC); Somatoliberin (human pancreatic islet), 29-L-argininamide-30-de-L-glutamine-31-de-L-glutamine-32-deglycine-33-de-L-glutamic acid-34-de-L-serine-35-de-L-asparagine-36-de-L-glutamine-37-de-L-glutamic acid-38-de-L-arginine-39-deglycine-40-de-L-alanine-41-de-L-arginine-42-de-L-alanine-43-de-L-argininyl-44-de-L-leucinamide; Tyr-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(GRF(1-29)-NH2); TYR-ALA-ASP-ALA-ILE-PHE-THR-ASN-SER-TYR-ARG-LYS-VAL-LEU-GLY-GLN-LEU-SER-ALA-ARG-LYS-LEU-LEU-GLN-ASP-ILE-MET-SER-ARG-NH2; Tyr-Ala-Asp-Ala-Ile-Phe-Thr-D-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Asn8,(1-29)-NH2); Tyr-Ala-D-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Asp3,(1-29)-NH2); Tyr-D-Ala-Asp-Ala-Ile-Phe-Thr-Asn-Ser-Tyr-Arg-Lys-Val-Leu-Gly-Gln-Leu-Ser-Ala-Arg-Lys-Leu-Leu-Gln-Asp-Ile-Met-Ser-Arg(D-Ala2(1-29)-NH2)"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	3357.9	C149H246N44O42S	1470	7640	-12.1	236	52	49	118	"1S/C149H246N44O42S/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N	WGWPRVFKDLAUQJ-MITYVQBRSA-N
DG01234	Degarelix	16136245	"Degarelix; 214766-78-6; Degarelix acetate; Firmagon; UNII-SX0XJI3A11; SX0XJI3A11; CHEMBL415606; FE200486 (AS ACETATE SALT); FE200486; Uglypeptide1; Degarelix (INN/USAN); Degarelix [USAN:INN:BAN]; GTPL5585; SCHEMBL1397034; SCHEMBL21050504; HSDB 7817; CHEBI:135961; BDBM50102450; HY-16168A; NSC771648; CS-5350; DB06699; NSC-771648; AS-82636; QC-10170; D08901; 766D786; Q1182795; Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph(Cbm)]-Leu-ILys-Pro-DAla-NH2; Acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide; D-Alaninamide, N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-; N-Acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:135961	DB06699	.	.	1632.3	C82H103ClN18O16	513	3390	3.5	117	17	18	41	"1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1"	C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C	MEUCPCLKGZSHTA-XYAYPHGZSA-N
DG01236	Tesamorelin	16137828	Egrifta; Tesamorelin; UNII-MQG94M5EEO; MQG94M5EEO; 804475-66-9; TH9507; 218949-48-5; TH 9507; TH-9507; Tesamorelin [USAN:INN]; (3E)-hex-3-enoylsomatoliberin; GTPL6959; DTXSID00583207; PUBCHEM_16137828; UNII-LGW5H38VE3 component QBEPNUQJQWDYKU-BMGKTWPMSA-N	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB08869	.	.	5136	C221H366N72O67S	2360	12800	-23.3	361	83	76	187	"1S/C221H366N72O67S/c1-25-28-30-53-163(308)260-145(92-120-54-58-122(299)59-55-120)198(343)255-116(21)179(324)276-150(96-169(316)317)199(344)256-117(22)180(325)291-172(111(16)26-2)214(359)284-147(91-119-43-31-29-32-44-119)206(351)293-174(118(23)298)215(360)285-149(95-162(230)307)205(350)289-155(104-297)210(355)280-146(93-121-56-60-123(300)61-57-121)203(348)267-130(51-41-83-248-220(240)241)186(331)266-126(46-34-36-78-223)197(342)290-171(110(14)15)212(357)283-141(87-106(6)7)183(328)252-100-166(311)258-133(63-70-157(225)302)190(335)278-144(90-109(12)13)202(347)288-152(101-294)208(353)257-115(20)178(323)262-128(49-39-81-246-218(236)237)185(330)265-125(45-33-35-77-222)189(334)277-143(89-108(10)11)201(346)279-142(88-107(8)9)200(345)272-137(66-73-160(228)305)195(340)282-151(97-170(318)319)207(352)292-173(112(17)27-3)213(358)274-139(76-85-361-24)196(341)287-153(102-295)209(354)268-131(52-42-84-249-221(242)243)187(332)270-135(64-71-158(226)303)192(337)269-132(62-69-156(224)301)182(327)251-99-165(310)259-134(67-74-167(312)313)191(336)286-154(103-296)211(356)281-148(94-161(229)306)204(349)273-136(65-72-159(227)304)193(338)271-138(68-75-168(314)315)194(339)264-124(47-37-79-244-216(232)233)181(326)250-98-164(309)253-113(18)176(321)261-127(48-38-80-245-217(234)235)184(329)254-114(19)177(322)263-129(50-40-82-247-219(238)239)188(333)275-140(175(231)320)86-105(4)5/h28-32,43-44,54-61,105-118,124-155,171-174,294-300H,25-27,33-42,45-53,62-104,222-223H2,1-24H3,(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,304)(H2,228,305)(H2,229,306)(H2,230,307)(H2,231,320)(H,250,326)(H,251,327)(H,252,328)(H,253,309)(H,254,329)(H,255,343)(H,256,344)(H,257,353)(H,258,311)(H,259,310)(H,260,308)(H,261,321)(H,262,323)(H,263,322)(H,264,339)(H,265,330)(H,266,331)(H,267,348)(H,268,354)(H,269,337)(H,270,332)(H,271,338)(H,272,345)(H,273,349)(H,274,358)(H,275,333)(H,276,324)(H,277,334)(H,278,335)(H,279,346)(H,280,355)(H,281,356)(H,282,340)(H,283,357)(H,284,359)(H,285,360)(H,286,336)(H,287,341)(H,288,347)(H,289,350)(H,290,342)(H,291,325)(H,292,352)(H,293,351)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H4,232,233,244)(H4,234,235,245)(H4,236,237,246)(H4,238,239,247)(H4,240,241,248)(H4,242,243,249)/b30-28+/t111-,112-,113-,114-,115-,116-,117-,118+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,171-,172-,173-,174-/m0/s1"	CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N	QBEPNUQJQWDYKU-BMGKTWPMSA-N
DG01238	Ivacaftor	16220172	"Ivacaftor; 873054-44-5; VX-770; Kalydeco; Ivacaftor (VX-770); N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; VX 770; VX770; UNII-1Y740ILL1Z; N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide; CHEBI:66901; 1Y740ILL1Z; N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide; 3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-; 1413431-05-6; 3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-; Kalydeco (TN); Ivacaftor [USAN:INN]; ivacaftorum; Ivacaftor D18; VX7; Ivacaftor (USAN/INN); VX-770 - Ivacaftor; MLS006011119; SCHEMBL351373; GTPL4342; VX-770, Ivacaftor, Kalydeco; CHEMBL2010601; DTXSID00236281; EX-A441; QCR-155; BCPP000199; HMS3654E10; HMS3744K05; AOB31714; BCP19794; BDBM50032693; MFCD17171361; s1144; ZINC52509463; AKOS015994762; AKOS032950001; BCP9000799; CCG-268562; CS-0497; DB08820; EX-7211; LE-0002; SB16815; N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; NCGC00242480-01; NCGC00242480-03; AC-28324; HY-13017; SMR004702900; FT-0696681; SW219620-1; X7565; EC-000.2478; A25626; D09916; AB01565806_02; Q6095693; CTP-656; CTP-656; CTP-656; d9-ivacaftor;VX-561; Cystic Fibrosis Transmembrane Conductance Regulator Potentiator; N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide; N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; N-(5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo-1,4-dihydro-3-quinolinecarboxamide; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide; 1134822-00-6; Ivacaftor;N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide;Ivacaftor; Kalydeco; ; ; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:66901	DB08820	DR00466	DR0898	392.5	C24H28N2O3	78.4	671	5.6	29	3	4	4	"1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)"	CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C	PURKAOJPTOLRMP-UHFFFAOYSA-N
DG01241	Iothalamate	23672589	"Diatrizoate sodium; Sodium diatrizoate; 737-31-5; Sodium amidotrizoate; Triombrine; Hypaque sodium; Sodium 3,5-diacetamido-2,4,6-triiodobenzoate; Diatrizoic acid sodium salt; Triombrin; Natrii amidotrizoas; Hypaque; Vascoray; Conray 35; Hypaque Cysto; Hpaque - cysto; Amidotrizoato sodico; Iothalamate; Histopaque; Diatrizoate sodium salt; Hypaque sodium 20%; Amidotrizoate de sodium; Urovist sodium; Hypaque 50; MD 50; Sodium diacetyldiaminetriiodobenzoate; Sodium Amidotrizoate (INN); Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, monosodium salt; UNII-V5403H8VG7; Urografic acid, sodium salt; Diatrizoate sodium [USP]; Monosodium 3,5-diacetamido-2,4,6-triiodobenzoate; Ml 216; Win 8308-3; 3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt; MD-50; MLS000069526; CHEBI:53692; V5403H8VG7; Gastrografin; 3,5-Diacetylamino-2,4,6-trijodbenzosaeure natrium; SMR000058586; Diatrizoate sodium (USP); sodium;3,5-diacetamido-2,4,6-triiodobenzoate; Sodium amidotrizoate [INN]; Diatrizoic acid sodium salt;Sodium amidotrizoate; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, monosodium salt; Urovist Sodium 300; Radioselectan; Urovist 300; MFCD00150546; NSC-61815; Natrii amidotrizoas [INN-Latin]; Amidotrizoato sodico [INN-Spanish]; EINECS 212-004-1; NSC 61815; Amidotrizoate de sodium [INN-French]; Renografin 76 Injectable (Veterinary); HSDB 8078; Urographing 370; 3,5-Diacetamido-2,4,6-triiodobenzoic acid, sodium salt; Urovist sodium (TN); 3,5-Diacetylamino-2,4,6-trijodbenzosaeure natrium [German]; Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, sodium salt; Opera_ID_214; DSSTox_CID_2912; Sodium Diatrizoate [BAN]; DSSTox_RID_76785; DSSTox_GSID_22912; SCHEMBL37116; CHEMBL1200581; DTXSID7022912; HY-B0926A; Diatrizoic acid sodium salt hydrate; Tox21_301439; Diatrizoic acid sodium salt dihydrate; AKOS024371067; CCG-270302; MCULE-8322644190; NCGC00255327-01; CAS-737-31-5; CS-0013563; FT-0603095; A17075; D01013; D97593; sodium 3,5-bis(acetylamino)-2,4,6-triiodobenzoate; 3,5-Diacetamido-2,4,6-tiiodobenzoic acid sodium salt; Q27104811; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid, sodium salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:53692	.	.	.	635.89	C11H8I3N2NaO4	98.3	396	.	21	2	4	3	"1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1"	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]	ZEYOIOAKZLALAP-UHFFFAOYSA-M
DG01242	Auranofin	24199313	"AURANOFIN; 34031-32-8; (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate; BCP08217; MMV688978; SKF 39162; AKOS026750078; FT-0662343; D78135; A937040; 1-Thio-; A-D-glucopyranosatotriethylphosphine gold-2,3,4,6-tetraacetate; 3,4,5-Triacetyloxy-6-(acetyloxymethyl) oxane-2-thiolate triethylphosphanium; gold(1+);3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane; SKF-39162; SKF-D-39162; SKF 39162; SKF D 39162; SKFD-39162; SKFD39162"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB00995	DR01329	.	678.5	C20H34AuO9PS	115	532	.	32	0	10	12	"1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1"	CCP(CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]	AUJRCFUBUPVWSZ-UHFFFAOYSA-M
DG01253	Troleandomycin	202225	"TROLEANDOMYCIN; Triacetyloleandomycin; Oleandomycin triacetate; Oleandocetine; Cyclamycin; Tribiocillina; Oleandomycin triacetyl ester; Evramicina; 2751-09-9; Troleandomicina; Troleandomycine; Micotil; Triocetin; Aovine; Troleandomycinum; Oleandomycin, triacetate (ester); Matromycin T; Triacetyloleandomycinum; Matromicina; Treolmicina; UNII-C4DZ64560D; CHEBI:45735; C4DZ64560D; AI3-50166; TAO; Oleandomycin, triacetyl-; oleandomycin triacetate ester; Triolan; Viamicina; Wytrion; Treis-Micina; WY 651; NSC-108166; ACETYLOLEANDOMYCIN; Tao (VAN); Tao (TN); Prestwick3_000036; Triacetyloleandomycin (JAN); Troleandomycin (USAN/INN); BSPBio_000131; Troleandomycine [INN-French]; Troleandomycinum [INN-Latin]; SCHEMBL125071; Troleandomicina [INN-Spanish]; Triacetyl ester of oleandomycin; BPBio1_000145; CHEMBL564085; T.A.O.; Oleandomycin (as troleandomycin); HMS2089B10; HMS2095G13; HMS3712G13; Fmoc-(R)-3-Amino-5-hexenoicacid; EINECS 220-392-9; BDBM50370258; LMPK04000042; Troleandomycin [USAN:USP:INN:BAN]; ZINC169307271; CCG-220036; DB13179; NSC 108166; NCGC00179654-01; HY-108881; AB00513798; CS-0031241; D01322; AB00513798-02; Q1087499; BRD-K38310698-001-01-9; (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate; [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:45735	DB13179	.	.	814	C41H67NO15	184	1430	4.3	57	0	16	12	"1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1"	C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	LQCLVBQBTUVCEQ-QTFUVMRISA-N
DG01256	Dicycloplatin	44475103	"Dicycloplatin; UNII-0KC57I4UNB; 0KC57I4UNB; 287402-09-9; Azane, 1-carboxycyclobutane-1-carboxylate, platinum(2+); Platinum(2+) 1-carboxycyclobutanecarboxylate ammoniate (1:2:2); 1,1-Cyclobutanedicarboxylic acid, compd. with (sp-4-2)-diammine(1,1-cyclobutanedi(carboxylato-kappaO)(2-))platinum (1:1); Platinum, diammine(1,1-cyclobutanedi(carboxylato-kappaO)(2-))-, (sp-4-2)-, 1,1-cyclobutanedicarboxylate (1:1); Platinum, diammine(1,1-cyclobutanedicarboxylato(2-)-kappaO,kappaO'')-, (sp-4-2)-, 1,1-cyclobutanedicarboxylate (1:1); DB-119035; Cis-diammine(1,1-cyclobutanedicarboxylate)platinum(II); Q19776556; azane;cyclobutane-1,1-dicarboxylate;cyclobutane-1,1-dicarboxylic acid;platinum(2+)"	Registered	2	Apprpved Drug(s)	Registered	Small molecular drug	.	.	.	.	.	515.38	C12H20N2O8Pt	157	317	.	23	4	10	2	"1S/2C6H8O4.2H3N.Pt/c2*7-4(8)6(5(9)10)2-1-3-6;;;/h2*1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;;+2/p-2"	C1CC(C1)(C(=O)O)C(=O)O.C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]	IIJQICKYWPGJDT-UHFFFAOYSA-L
DG01262	Exenatide	45588096	"Exenatide; Exendin-4; Byetta; Bydureon; UNII-9P1872D4OL; Exendin 4; 141758-74-9; 9P1872D4OL; AC 2993; AC2993A; Bydureon Pen; AC002993; ITCA 650; HSDB 7789; Exenatide [USAN:INN:BAN:JAN]; PT302; AC 2993A; DA 3091; Exenatide; Exendin-4; LY 2148568; SCHEMBL14634818; AKOS015994651; HS-2012; Y-100006; Exendin 3 (Heloderma horridum), 2-glycine-3-L-glutamic acid-"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	4187	C184H282N50O60S	1780	10300	-21	295	58	66	135	"1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1"	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N	HTQBXNHDCUEHJF-XWLPCZSASA-N
DG01285	Lurbinectedin	57327016	"Lurbinectedin; 497871-47-3; PM01183; UNII-2CN60TN6ZS; 2CN60TN6ZS; PM 01183; PM-01183; [(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate; Tryptamicidin; Zepzelca; Lurbinectedin [USAN:INN]; CHEMBL4297516; SCHEMBL16152477; GTPL10681; DTXSID30198065; EX-A4316; WHO 9397; NSC826275; PM1183; s9603; AT22223; CS-6323; DB12674; NSC-826275; PM-1183; HY-16293; J3.531.659K; J3.652.626B; PM01183;PM-1183;LY-01017;ryptamicidin; Q27254568; [(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	DB12674	.	.	784.9	C41H44N4O10S	190	1530	3.9	56	4	14	4	"1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1"	CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O	YDDMIZRDDREKEP-HWTBNCOESA-N
DG01295	LCZ696	24755604	"LCZ-696; LCZ696 (Valsarta + sacubitril); sodium (S)-5-(4'-((N-(1-carboxylato-2-methylpropyl)pentanamido)methyl)-[1,1'-biphenyl]-2-yl)tetrazol-1-ide 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoate hydrate; LCZ-696A; BCP10630; Q6457467; LCZ-696; LCZ 696;Entresto;Valsartan/sacubitril;Sacubitril mixture with Valsartan; Trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]amino]butanoate;hydrate"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	931	C48H57N6Na3O9	197	1140	.	66	2	13	20	"1S/C24H29N5O3.C24H29NO5.3Na.H2O/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;1H2/q;;3*+1;/p-3/t22-;17-,21+;;;;/m01..../s1"	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+]	UOLUPHRXIRFONO-JOYYXRJNSA-K
DG01303	Cefiderocol	77843966	"Cefiderocol; 1225208-94-5; UNII-SZ34OMG6E8; SZ34OMG6E8; GSK2696266; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; S-649266; RSC 649266; Cefiderocol [INN]; Cefiderocol (USAN); Cefiderocol [WHO-DD]; Cefiderocol [USAN:INN]; CHEMBL3989974; SCHEMBL22508010; AKOS037648584; DB14879; GSK 2696266; BS-14716; HY-17628; CS-0016784; D11302; S 649266; Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-(2-((2-chloro-3,4-dihydroxybenzoyl)amino)ethyl)-, inner salt"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	.	.	.	.	752.2	C30H34ClN7O10S2	310	1440	1	50	6	15	12	"1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1"	CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]	DBPPRLRVDVJOCL-FQRUVTKNSA-N
DG01305	Vedolizumab	.	.	Approved	1	Approved Drug(s)	Approved	Biotech	.	.	DB09033	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01310	Valaciclovir	135398742	"Valacyclovir; Valaciclovir; 124832-26-4; Valtrex; ValACV; Zelitrex; Valcyclovir; Val-ACV; UNII-MZ1IW7Q79D; L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester; Valtrex (TN); CHEMBL1349; MZ1IW7Q79D; 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate; CHEBI:35854; 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; Valcivir; (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate; Valaciclovir [INN:BAN]; Talavir; Virval; Valacyclover Hydrochloric; Acyclovir-valine; (S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate; 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; 256U87 HCl; Valaciclovir (INN); VACV; Valaciclovir, Valtrex; BW256U87; NCGC00159520-02; HSDB 8084; BW-256U; TXC; Valtrex (TM); Valcyclovir [INN:BAN]; 256U87; SCHEMBL28644; BSPBio_002474; MLS001304747; MLS006011776; GTPL4824; DTXSID1023732; HMS2090D20; HMS2234I15; BCP28415; ZINC1530713; BBL033701; BDBM50162073; STK802272; STL535579; ZB0748; 2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]oxy}ethyl L-valinate; AKOS005622706; AKOS007930693; AKOS025149468; AKOS037496964; CS-1356; DB00577; valacyclovir hydrochloride (monohydrate); NCGC00178638-04; NCGC00178638-05; Valaciclovir;Val-ACV; Valtrex; Zelitrex; AC-11128; HY-17425; SMR000752514; SMR004703478; SBI-0206711.P001; D08664; AB00698497-11; AB01275525-01; AB01275525_02; AB01275525_03; 832V264; A805302; Q418594; W-200980; BRD-K46435977-003-01-2; BRD-K46435977-003-03-8; 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl L-valinate; 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy]ethyl-l-valinate; (S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate; 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methyl-butanoate; 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate; (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate_x000D_; (S)-2-Amino-3-methyl-butyric acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester; 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methyl-butanoate;L-Valine 2-(guanin-9-ylmethoxy)ethyl ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:35854	DB00577	DR00078	.	324.34	C13H20N6O4	147	483	-0.9	23	3	7	8	"1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1"	CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N	HDOVUKNUBWVHOX-QMMMGPOBSA-N
DG01320	Abatacept	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	DB01281	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01321	Abciximab	.	.	Approved	1	Approved Drug(s)	Approved	Monoclonal antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01322	Adalimumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	DR00441	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01333	Belatacept	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01348	Chymotrypsin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01350	CNTO-1959	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01368	Eptinezumab	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01385	Idarucizumab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01397	Mefenamic	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01408	OM-89	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01417	Protamine	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01418	Rasburicase	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01419	RBPI-21	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01423	RHuEPO	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01429	Sargramostim	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01431	Sintilimab	.	.	Approved	1	Approved Drug(s)	Approved	Antibody	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01439	Tecartus	.	.	Approved	1	Approved Drug(s)	Approved	CAR T Cell Therapy	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01450	Trumenba	.	.	Approved	1	Approved Drug(s)	Approved	Vaccine	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01451	Tuberculin	.	.	Approved	1	Approved Drug(s)	Approved	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.	.
DG01460	Abiraterone acetate	9821849	"Abiraterone acetate; 154229-18-2; Zytiga; CB7630; CB-7630; CB 7630; Yonsa; UNII-EM5OCB9YJ6; 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate; EM5OCB9YJ6; [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; CHEBI:68639; NSC-748121; NSC-749227; (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(PYRIDIN-3-YL)-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE; 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate; 3beta-17-(3-Pyridyl)androsta-5,16-dien-3-ol Acetate; (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate; Abiraterone Acotate; 17-(3-Pyridyl)androsta-5, acetate; Androsta-5, 17-(3-pyridinyl)-, 3-acetate,; Abiraterone acetate [USAN]; MFCD00934213; abiraterone-acetate; NCGC00186462-01; 3S,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 3-acetate; Abiraterone Acetate; Zytiga (TN); Abiraterone (acetate); Abiraterone acetate- Bio-X; DSSTox_CID_28969; DSSTox_RID_83234; DSSTox_GSID_49043; SCHEMBL93715; MLS006010090; CHEMBL271227; GTPL9288; Abiraterone acetate (JAN/USP); DTXSID3049043; EX-A107; BCP02949; ZINC3809191; Tox21_113589; BDBM50407398; NSC748121; NSC749227; s2246; Abiraterone acetate, >=98% (HPLC); AKOS015896502; CS-0544; DS-2007; JNJ 212082; NSC 748121; NSC 749227; JNJ-2012082; NCGC00379022-06; AC-25760; BA164133; HY-75054; SMR004701235; CAS-154229-18-2; X6144; D09701; 3b-acetoxy-17-(3-pyridyl)androsta-5,16-diene; 17-(3-Pyridyl)-5,16-androstadien-3-b-acetate; A809510; 3beta-Acetoxy-17-(3-pyridyl)androsta-5,16-diene; W-201385; BRD-K24048528-001-02-5; Q27888393; (3S)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene; (3 )-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate; (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol acetate (ester); Abiraterone acetate, United States Pharmacopeia (USP) Reference Standard; Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-; (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl acetate; [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate; acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester"	Approved	1	Approved Drug(s)	Approved	Small molecular drug	.	CHEBI:68639	DB05812	DR0030	DR01327	391.5	3	C26H33NO2	39.2	739	5.2	29	0	3	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C	"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1"	UVIQSJCZCSLXRZ-UBUQANBQSA-N
DG50001	6-Diazo-5-oxo-norleucine	164	"6-Diazo-5-oxo-norleucine; 2-Amino-6-diazo-5-oxohexanoic acid; H-6-Diazo-5-oxo-Nle-OH; H-6-Diazo-5-oxo-D-Nle-OH; 764-17-0; L-DON;H-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-L-2-aminohexanoic acid; D-DON;H-D-Glu(diazomethylketone)-OH;6-Diazo-5-oxo-D-2-aminohexanoic acid; NSC7365; DON; Norleucine, 6-diazo-5-oxo-; Diazooxonorleucin; DL-Diazooxonorleucine; CHEMBL1651883; BCP32099; AKOS022505117; 6-(15-diazenylidene)-5-oxonorleucine; SY264659; FT-0692870; (2S)-2-amino-6-diazo-5-oxohexanoic acid;L-Nle(6-Diazo-5-oxo)-OH"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7365	.	.	.	.	171.15	C6H9N3O3	82.4	232	-3.5	12	2	5	5	"InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)"	C(CC(=O)C=[N+]=[N-])C(C(=O)O)N	YCWQAMGASJSUIP-UHFFFAOYSA-N
DG50002	Adenine	190	"adenine; 73-24-5; 1H-Purin-6-amine; 6-Aminopurine; 9H-Purin-6-amine; 7H-Purin-6-amine; Vitamin B4; Adenin; Adeninimine; Leuco-4; 6-Amino-1H-purine; 6-Amino-3H-purine; 6-Amino-7H-purine; 6-Amino-9H-purine; 1,6-Dihydro-6-iminopurine; 3,6-Dihydro-6-iminopurine; Purine, 6-amino-; USAF CB-18; 1H-Purine, 6-amino; ADE; 9H-Purine, 1,6-dihydro-6-imino-; 1H-Purine-6-amine; CCRIS 2556; AI3-50679; 3H-Purin-6(7H)-imine; NSC 14666; UNII-JAC85A2161; 9H-Purine-6-amine; 9H-purin-6-ylamine; CHEBI:16708; 1H-Purine, 6-amino-; MFCD00041790; 134434-48-3; 1H-purin-6(9H)-imine; 6H-Purin-6-imine, 3,9-dihydro-, (Z)- (9CI); CHEMBL226345; 134434-49-4; 134454-76-5; 66224-66-6; JAC85A2161; 6H-Purin-6-imine, 1,7-dihydro-, (Z)- (9CI); 6H-Purin-6-imine, 1,9-dihydro-, (E)- (9CI); 6H-Purin-6-imine, 3,7-dihydro-, (Z)- (9CI); NSC-14666; 134461-75-9; Adenine [JAN]; NCGC00094856-01; Pedatisectine B; DSSTox_CID_2557; DSSTox_RID_76627; DSSTox_GSID_22557; adenine-ring; CAS-73-24-5; Leucon (TN); Adenine (8CI); Adenine (JAN/USP); Adenine [USP:JAN]; SR-05000001754; 6-Aminopurine (Adenine); EINECS 200-796-1; 3H-PURIN-6-AMINE; 1H-Purin-6-amine (9CI); 3H-Purin-6-amine (9CI); 3h-adenine; 6-amino purine; 6-amino-Purine; purin-6-amine; 1jys; 1nli; 1wei; 2pqj; 3kpv; [3H]adenine; Adenine, 1; Adenine,(S); ALBB-005925; 7H-purin-6-ylamine; 9H-Purin-6-yl-amin; Adenine-[15N2]; Spectrum_001106; 2p8n; 9H-Purin-6-yl-amine; SpecPlus_000535; Adenine, >=99%; 9H-Purin-6-amine #; Spectrum2_000583; Spectrum3_000616; Spectrum4_001891; Spectrum5_000542; 6-Aminopurine;Vitamin B4; 3H-purin-6(9H)-imine; bmse000060; bmse000861; bmse000995; Epitope ID:140097; SCHEMBL8110; 6-Aminopurine, Vitamin B4; Oprea1_057274; US9138393, Adenine; US9144538, Adenine; BSPBio_002152; KBioGR_002447; KBioGR_002562; KBioSS_001586; KBioSS_002571; ZINC882; 71660-30-5; MLS001066342; DivK1c_006631; SPECTRUM1500807; SPBio_000426; GTPL4788; 9H-Purine,6-dihydro-6-imino-; DTXSID6022557; BDBM33218; KBio1_001575; KBio2_001586; KBio2_002562; KBio2_004154; KBio2_005130; KBio2_006722; KBio2_007698; KBio3_001652; KBio3_003040; 1,9-Dihydro-6H-purin-6-imine; Adenine 100 microg/mL in Water; cMAP_000085; 7H-Purin-6-amine, min. 95%; BCPP000433; BDBM181146; HMS1921I14; HMS2092K20; HMS2269I04; Pharmakon1600-01500807; BCP02865; HY-B0152; NSC14666; VCA70030; Tox21_111348; Tox21_302108; BBL007925; CCG-38506; HTS027705; NSC757793; s1981; STK387542; WLN: T56 BM DN FN HNJ IZ; AKOS000118903; AKOS005171607; Tox21_111348_1; (Z)-3,9-Dihydro-6H-purin-6-imine; AC-2028; AM83908; BCP9000233; CS-1984; DB00173; MCULE-6556342774; NSC-757793; SDCCGMLS-0066584.P001; NCGC00094856-02; NCGC00094856-03; NCGC00094856-05; NCGC00255120-01; 66224-67-7; 66224-69-9; 71660-29-2; AS-11841; BL008313; NCI60_000998; SMR000471871; SBI-0052324.P002; Adenine, Vetec(TM) reagent grade, >=99%; DB-013503; A0149; FT-0620943; FT-0656198; 73A245; Adenine, suitable for cell culture, BioReagent; C00147; D00034; P50008; Q15277; Z-1043; AB00052833-18; AB00052833-19; AB00052833_20; AB00052833_22; AB00052833_23; AB00052833_24; A935233; Q-200595; SR-05000001754-1; SR-05000001754-2; W-106856; Adenine, BioReagent, plant cell culture tested, >=99%; Adenine, European Pharmacopoeia (EP) Reference Standard; F0001-1848; Z1250132272; 6379C0E0-C1BB-4087-96C5-1DE281B8EA4C; Adenine, United States Pharmacopeia (USP) Reference Standard; Adenine, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14666	.	.	.	.	135.13	C5H5N5	80.5	127	-0.1	10	2	4	0	"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)"	C1=NC2=NC=NC(=C2N1)N	GFFGJBXGBJISGV-UHFFFAOYSA-N
DG50003	"2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	191	"3228-71-5; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; .beta.-Adenosine; 9-Arabinosyladenine; 9-pentofuranosyl-9H-purin-6-amine; Adenine riboside;D-Adenosine; Xylosyladenine; Vidarabin; MLS000699527; NSC87676; beta-L-Adenosine; Xylosyl A; NSC70422; NSC247519; NSC404241; SMR000225041; Adenine 9-beta-D-arabinofuranoside; 9-alpha-L-Ribofuranosyl-9H-purin-6-amine; .beta.-D-Arabinosyladenine; Vidarabine (monohydrate); 9.beta.-D-Arabinofuranosyladenine; Adenine .beta.-d-arabinofuranoside; C10H13N5O4; 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC 7359; Vira ATM; .beta.-D-Adenosine; Adenine, 9-.alpha.-D-xylofuranosyl-; Adenine, 9.beta.-D-arabinofuranosyl-; NSC 404241; 235764-37-1; 9H-Purin-6-amine, 9-.alpha.-D-xylofuranosyl-; 9H-Purin-6-amine, 9.beta.-D-arabinofuranosyl-; NSC7359; NSC7652; 9-.alpha.-D-Xylofuranosyladenine; NSC-7652; .beta.-D-Ribofuranoside, adenine-9; 9-.alpha.-D-Arabinofuranosyladenine; NSC627048; NSC-247519; 4005-33-8; XA; Adenosine-8-14C; VIRDARABINE; 6-Amino-9.beta.-D-ribofuranosyl-9H-purine; Adenine, 9-.alpha.-D-arabinofuranosyl-; Opera_ID_164; 9-.beta.-Arabinoadenosine; REGID_for_CID_191; 9-.beta.-Arabinosyladenine; NCIOpen2_003303; NCIOpen2_005376; SCHEMBL63363; ZCCY002; .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; 9H-Purin-6-amine, 9-.alpha.-D-arabinofuranosyl-; MLS006011831; CHEMBL11909; 9.beta.-D-Ribofuranosyladenine; SCHEMBL20419324; 9-.beta.-D-Xylofuranosyladenine; CHEBI:93913; .alpha.-D-Arabinofuranosyladenine; ARA-A NSC 247519; BDBM199118; HMS2688C17; HMS3369A21; HMS3372M16; HMS3374D06; HMS3655A12; HMS3655G15; Adenine-.beta.-D-arabinofuranoside; 148207-18-5; 2946-52-3; 9-.beta.-D-Arabinofuranosyladenine; BCP25434; BCP32271; NSC-7359; NSC80832; NSC87676; NSC91041; Adenine, 9-.beta.-D-xylofuranosyl-; BBL007185; MFCD00475667; MFCD28053745; NSC-70422; NSC-80832; NSC-87676; NSC-91041; STK361815; Adenine-9-.beta.-D-arabinofuranoside; AKOS005429469; MCULE-7671875172; NSC-627048; Adenine, 9-.beta.-D-arabinofuranosyl-; NCGC00015103-03; NCGC00015103-04; NCGC00015103-05; NCGC00015103-06; NCGC00094579-01; NCGC00094579-02; NCGC00094579-03; NCGC00094579-04; AS-69806; NCI60_003823; NCI60_037192; SY001357; SY104375; 6-Amino-9-.beta.-D-arabinofuranosylpurine; DB-052972; DB-124990; FT-0601178; FT-0620931; FT-0635806; FT-0661426; 9H-Purin-6-amine, 9.beta.-D-ribofuranosyl-; Beta-L-adenosine pound>>(c)micro-L-Adenosine; VIDARABINE(200MG)G-2939UG/MG(AI); 9-.beta.-D-Arabinofuranosyl-9H-purin-6-amine; 9H-Purin-6-amine, 9-.beta.-D-xylofuranosyl-; L000094; F2ECA788-2ABC-49AB-AD84-0A0759DD3A91; Q27165666; WLN: T56 BN DN FN HNJ IZ D- BT5OTJ CQ DQ E1Q; alpha-Adenosine;9- (c) paragraph sign- D- ribofuranosyl-9H- Purin- 6- amine; 123179-97-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404241	.	.	.	.	267.24	C10H13N5O4	140	335	-1.1	19	4	8	2	"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N	OIRDTQYFTABQOQ-UHFFFAOYSA-N
DG50004	Allantoin	204	"allantoin; 97-59-6; 5-Ureidohydantoin; Glyoxyldiureide; 1-(2,5-dioxoimidazolidin-4-yl)urea; Cordianine; Glyoxyldiureid; Allantol; Sebical; Alantan; AVC/Dienestrolcream; Urea, (2,5-dioxo-4-imidazolidinyl)-; Hydantoin, 5-ureido-; Cutemol emollient; Uniderm A; Psoralon; Septalan; (2,5-Dioxo-4-imidazolidinyl)urea; Glyoxylic diureide; Glyoxylic(acid) diureide; NSC 7606; Caswell No. 024; (2,5-dioxoimidazolidin-4-yl)urea; 5-Ureido-2,4-imidazolidindion; N-(2,5-Dioxo-4-imidazolidinyl)urea; CCRIS 1958; 2,5-Dioxo-4-imidazolidinyl-urea; DL-Allantoin; Fancol TOIN; 5-Ureidohydrantoin; EPA Pesticide Chemical Code 085701; C4H6N4O3; 4-ureido-2,5-Imidazolidinedione; AI3-15281; NSC7606; Allantoin (JAN/USP); MFCD00005260; N-(2,5-dioxoimidazolidin-4-yl)urea; 97-59-6 (racemic); urea, N-(2,5-dioxo-4-imidazolidinyl)-; MLS000737882; 5-Ureido-2,4-imidazolidindione; CHEBI:15676; NSC-7606; DSSTox_CID_43; Herpecin L; D00121; DSSTox_RID_75334; DSSTox_GSID_20043; Allantoin [USAN:BAN]; SMR000528073; SR-01000766252; EINECS 202-592-8; BRN 0102364; Alwextin; HSDB 7490; Allantoin [USAN:USP:BAN:JAN]; CAS-97-59-6; Prestwick_11; NCGC00016358-01; Allation,(S); 5-ureido-Hydantoin; Allantoin (8CI); (+/-)-Allantoin; Spectrum_001078; Idelalisib metabolite m1a; Prestwick0_000002; Prestwick1_000002; Prestwick2_000002; Prestwick3_000002; Spectrum2_000219; Spectrum3_000876; Spectrum4_000716; Spectrum5_001526; bmse000437; EC 202-592-8; SCHEMBL3208; Oprea1_621175; BSPBio_000003; BSPBio_002551; KBioGR_001271; KBioSS_001558; 5-25-15-00338 (Beilstein Handbook Reference); MLS002473300; Allantoin, analytical standard; DivK1c_000281; SPECTRUM1500801; Allantoin-[13C2,15N4]; SPBio_000237; SPBio_001924; BPBio1_000005; CHEMBL593429; DTXSID3020043; 5-Ureidohydantoin;Glyoxyldiureide; HMS500O03; KBio1_000281; KBio2_001558; KBio2_004126; KBio2_006694; KBio3_002051; Sd 101; Allantoin, >=98.0% (N); NINDS_000281; Urea,5-dioxo-4-imidazolidinyl)-; HMS1568A05; HMS1921I10; HMS2092K16; HMS2095A05; HMS2268N08; HMS3712A05; HMS3885M08; Pharmakon1600-01500801; AMY13912; BCP31832; component of Skin-balm (Salt/Mix); HY-N0543; 2,5-Imidazolidinedione, 4-ureido-; Tox21_110395; Tox21_202087; Tox21_302912; BBL027508; CCG-39781; NSC757792; s3856; STL373778; AKOS000120642; AKOS016038547; Tox21_110395_1; CS-7741; DB11100; MCULE-1008326286; NSC-757792; SDCCGMLS-0066595.P001; 1-(2,5-Dioxoimidazolidin-4-yl);urea; IDI1_000281; Allantoin, p.a., 98.5-101.0%; N-(2,5-Dioxo-4-imidazolidinyl)urea #; NCGC00094854-01; NCGC00094854-02; NCGC00094854-03; NCGC00094854-04; NCGC00094854-05; NCGC00094854-07; NCGC00256403-01; NCGC00259636-01; (RS)-(2,5-dioxoimidazolidin-4-yl)urea; AC-11040; AS-13865; H736; NCI60_041675; N-(2,5-Dioxo-4(1h)-imidazolidinyl)urea; SBI-0051759.P002; A0211; AB00052307; FT-0604592; C01551; D85069; J10470; Urea, (2,5-dioxo-4-imidazolidinyl)- (9CI); AB00052307_11; Q409804; J-522839; SR-01000766252-2; SR-01000766252-3; SR-01000766252-4; W-100104; Allantoin, European Pharmacopoeia (EP) Reference Standard; A999F0D6-0285-41D9-A6BA-B705987B663C; Allantoin, United States Pharmacopeia (USP) Reference Standard; Allantoin, Pharmaceutical Secondary Standard; Certified Reference Material; 5-Ureidohydantoin; Glyoxyldiureide; Glyoxylic diureide; Cordianine; Glyoxyldiureid; (2,5-Dioxo-4-imidazolidinyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7606	.	.	.	.	158.12	C4H6N4O3	113	225	-2.2	11	4	3	1	"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)"	C1(C(=O)NC(=O)N1)NC(=O)N	POJWUDADGALRAB-UHFFFAOYSA-N
DG50005	NSC657957	302	"7-Cheto-deoxycholic acid; NSC657957; 3,12-Dihydroxy-7-oxocholan-24-oic acid; 4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid; FT-0670626"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657957	.	.	.	.	406.6	C24H38O5	94.8	676	3.3	29	3	5	4	"InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)"	CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C	RHCPKKNRWFXMAT-UHFFFAOYSA-N
DG50006	Cytosine arabinoside monophosphate	314	"Cytosine arabinoside monophosphate; 30811-80-4; NSC99445; POLY C; [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; MLS002701948; Poly(rC); Poly(cytidylic acid); Polyribocytidylic acid; Cytosine arabinoside 5'-phosphate; NSC-99445; 5'-Cytidylic acid, homopolymer; 5'-Cytidylic acid, polymers; 5'-Cytidylic acid homopolymer; Polycytidylic acid sodium salt; CHEMBL296272; SCHEMBL6115643; CHEBI:181445; BCP33637; Cytosine, 5'-(dihydrogen phosphate); NSC120953; STL452942; STL454151; STL454992; AKOS024275782; MCULE-5499577546; NSC-120953; [5-(4-amino-2-oxohydropyrimidinyl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; NCI60_042226; SMR001565530; FT-0624322; FT-0655251; FT-0665428; Cytidine-5'-monophosphate;Cytidine monophosphate; 1-.beta.-D-Arabinofuranosylcytosine 5'-phosphate; 4-amino-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one; 4-imino-1-(5-O-phosphonopentofuranosyl)-1,4-dihydropyrimidin-2-ol; 2(1H)-Pyrimidinone, 4-amino-1-(5-O-phosphono-.beta.-D-arabinofuranosyl)-; 4-imino-1-(5-O-phosphonopentofuranosyl)-3,4-dihydropyrimidin-2(1H)-one; (5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate; 686299-78-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99445	.	.	.	.	323.2	C9H14N3O8P	175	531	-3.4	21	5	8	4	"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O	IERHLVCPSMICTF-UHFFFAOYSA-N
DG50007	N-Acetyl-DL-cysteine	581	"N-Acetyl-DL-cysteine; 7218-04-4; 2-acetamido-3-sulfanylpropanoic acid; 2-Acetamido-3-mercaptopropanoic acid; L-Cysteine, N-acetyl-; 2-Acetylamino-3-mercapto-propionic acid; Mucolyticum-Lappe; Flumicil; NSC111180; DL-Acetylcysteine; L-Cysteine,; Sodium 2-acetamido-3-mercaptopropionate; Ac-D-Cys-OH; Ac-DL-Cys-OH; DL-Cysteine, N-acetyl-; SCHEMBL5291; WLN: SH1YVQMV1 -L; HSCH2CH(NHCOCH3)CO2H; CHEMBL145615; DTXSID8048105; EINECS 230-609-9; MFCD00151956; STL135991; STL454996; (Z)-N-(1-hydroxyethylidene)cysteine; AKOS002434507; AKOS017342892; 2-Acetylamino-3-mercaptopropanoic acid; MCULE-8740981134; 2-acetylamino-3-mercapto propionic acid; NCGC00015086-03; AS-57272; NCI60_000255; SY009511; CS-0071230; FT-0629832; FT-0661198; 2-chloro-3-methoxythiophene-4-carboxylic acid; F2173-0391; 45F1315B-9604-4E8C-8048-902731179704"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111180	.	.	.	.	163.2	C5H9NO3S	67.4	148	0.4	10	3	4	3	"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)"	CC(=O)NC(CS)C(=O)O	PWKSKIMOESPYIA-UHFFFAOYSA-N
DG50008	Cytosar	596	"Cytarabin; .beta.-Arabinosylcytosine; .beta.-Cytosine arabinoside; .beta.-D-Arabinosylcytosine; Cytosine-.beta.-arabinoside; Arabinofuranosylcytosine; Aracytidine; Cytarabinoside; Spongocytidine; Cytosar; 1.beta.-D-Arabinosylcytosine; Alexan; MLS003389283; Cytosine, .beta.-D-arabinoside; 1.beta.-Arabinofuranasylcytosine; Arabinosylcytosine; 4-amino-1-pentofuranosylpyrimidin-2(1H)-one; Cytosine arabinose; NCI-C04728; 1.beta.-D-Arabinofuranosylcytosine; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Cytosine, 1-.beta.-D-arabinosyl-; Cytosine-.beta.-D-arabinofuranoside; 1-.beta.-D-Arabinofaranosylcytosine; Cylocide; NSC 63878; Cytosine-beta-D-arabinofuranoside; Cytosine, 1-.beta.-D-arabinofuranosyl-; 1-Arabinofuranosylcytosine; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; Cytarabina; Arabitin; Aracytine; Arafcyt; Depocyt; Erpalfa; Iretin; 1-.beta.-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone; Cytosine beta-D-riboside;Cytosine-1-beta-D-ribofuranoside; Cytosine beta-D-arabinofuranoside;Cytosine Arabinoside;Ara-C; MLS002702869; Cytosine beta-D-arabinofuranoside hydrochloride;Cytosine Arabinoside hydrochloride;Ara-C hydrochloride; SMR001549941; 1.beta.-Ribofuranosylcytosine; 1.beta.-D-Ribofuranosylcytosine; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine; C9H13N3O5; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-; U 19920; NSC-20258; NSC287459; .beta.-D-Ribofuranoside, cytosine-1; CYTARABINE, Cytarabine (Cytosine 1-b-D-arabinofuranoside), CYTIDINE; Cytosine, 1-.beta.-D-ribofuranosyl-; AC-1075; NSC 287459; NSC-287459; 4-Amino-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; U 19920A; AC 1075; CHEMBL78; U-19,920; 4-Amino-1.beta.-D-ribofuranosyl-2(1H)-pyrimidinone; ChemDiv1_027335; MolMap_000003; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-ribofuranosyl-; Oprea1_593929; Oprea1_858801; SCHEMBL149563; Cytosine .beta.-D-arabinoside; 1-(b-D-Xylofuranosyl)cytosine; HMS664K11; 1-.beta.-Arabinofuranosylcytosine; 1-.beta.-D-Ribofuranosylcytosine; HMS3371G12; HMS3393K19; HMS3428O03; HMS3655P13; ALBB-021997; CHX-3311; NSC20258; 1-.beta.-D-Arabinofuranosylcytosine; BBL028243; NSC249004; STK391124; AKOS001590380; AKOS017259253; Cytosine-1-.beta.-D-arabinofuranoside; MCULE-1440805673; NSC-249004; SMP2_000209; NCGC00015258-02; NCGC00015258-03; NCGC00015258-04; NCGC00015258-05; NCGC00094638-01; NCGC00094638-02; NCGC00094638-03; NCGC00094638-04; AS-12090; NCI60_012951; SY004943; SY005417; DB-124991; U-19920 A; FT-0624314; FT-0624315; FT-0774114; WLN: T6NVNJ DZ A-BT5OTJ CQ DQ E1Q; AB01273973-01; L001298; SR-01000597029; SR-01000597029-1; 2(1H)-Pyrimidinone, 4-amino-1.beta.-D-ribofuranosyl-; 4-Amino-1-.beta.-D-arabinofuranosyl-2(1H)-pyrimidinon; 4-Amino-1-.beta.-d-arabinofuranosyl-2(1H)-pyrimidinone; 2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arabinofuranosyl-; 688007-26-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287459	.	.	.	.	243.22	C9H13N3O5	129	383	-2.1	17	4	5	2	"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)"	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O	UHDGCWIWMRVCDJ-UHFFFAOYSA-N
DG50009	"Uridine, 2'-deoxy-"	640	"2'-Desoxyuridine; Uridine, 2'-deoxy-; 2-Deoxyuridine; Deoxyribose uracil; NSC23615; Desoxyuridine; dURD; Uracil desoxyuridine; NSC 23615; 2'-Deowyuridine; 1-(2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one; URIDINE, 2-DEOXY-; SCHEMBL2641582; 1-((2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; NSC-23615; STK681025; AKOS005596404; AKOS026750183; MCULE-1366297741; 2 inverted exclamation mark -Deoxyuridine; LS-13642; SY038939; DB-021004; EU-0050286; FT-0612154; FT-0665865; SR-01000091549; 1-(2-Deoxy-.beta.-D-erythro-pentofuranoxyl)uracil; SR-01000091549-1; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23615	.	.	.	.	228.2	C9H12N2O5	99.1	343	-1.6	16	3	5	2	"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)"	C1C(C(OC1N2C=CC(=O)NC2=O)CO)O	MXHRCPNRJAMMIM-UHFFFAOYSA-N
DG50010	D-Azaserine	830	"D-Azaserine; NSC166613; CI-337;O-Diazoacetyl-L-serine;P-165; CI-337; NCGC00018164-02; O-Diazoacethylserin; 76749-44-5; Spectrum_002000; Spectrum2_001221; Spectrum3_001853; Spectrum4_001258; SCHEMBL8862; BSPBio_003266; KBioGR_001816; KBioSS_002576; DivK1c_000319; SPECTRUM1502113; SPBio_001062; CHEMBL1651884; BDBM39339; cid_5284344; HMS500P21; KBio1_000319; KBio2_002567; KBio2_005135; KBio2_007703; KBio3_002767; NINDS_000319; HMS1923O17; HMS2092D12; HMS3371A15; Pharmakon1600-01502113; CCG-39932; NSC758188; NSC-166613; NSC-758188; IDI1_000319; NCGC00018164-03; NCGC00018164-04; NCGC00095279-01; NCGC00095279-02; NCGC00095279-03; 2-amino-3-[(2-diazoacetyl)oxy]propanoic acid; AB00053161_02; SR-05000001597; SR-05000001597-1; 6-NITRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE; (E)-1-[(2S)-2-amino-2-carboxy-ethoxy]-2-diazonio-ethenolate; (E)-1-[(2S)-2-amino-2-carboxyethoxy]-2-diazonioethenolate; aminoacid antagonist: inhibits protein and nucleic acid synthesis; (E)-1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-2-diazonio-ethenolate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758188	.	.	.	.	173.13	C5H7N3O4	91.6	233	-3.2	12	2	6	5	"InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)"	C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]	MZZGOOYMKKIOOX-UHFFFAOYSA-N
DG50011	Inositol	892	"inositol; myo-inositol; Scyllo-inositol; Muco-Inositol; epi-Inositol; i-Inositol; Allo-inositol; 87-89-8; meso-Inositol; 1D-Chiro-inositol; 1L-Chiro-inositol; D-(+)-chiro-Inositol; 643-12-9; 488-59-5; Neo-inositol; D-chiro-Inositol; cis-Inositol; Myoinositol; Scyllitol; Cyclohexane-1,2,3,4,5,6-hexaol; 6917-35-7; cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; 488-58-4; Quercinitol; Meat sugar; 551-72-4; Cocositol; Myoinosite; Dambose; Inositene; Inositina; Phaseomannite; Inosital; Inosite; Iso-inositol; Cyclohexitol; Phaseomannitol; Mesoinosit; Mesoinosite; Scyllite; Mesovit; Nucite; Mesol; 41546-34-3; L-chiro-Inositol; Inositol, myo-; chiro-inositol; Cyclohexanehexol; Inositol, meso-; 643-10-7; L-Inositol; D-myo-Inositol; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; Bios I; Insitolum; Isoinositol; (-)-Inositol; 488-55-1; Hexahydroxycyclohexane; L-myo-Inositol; Inositol, i-; L-(-)-chiro-Inositol; Inositol (VAN); 488-54-0; Inositol, allo-; Inositol, muco-; 1D-myo-Inositol; 1L-myo-Inositol; 576-63-6; Inositol, scyllo-; 1,2,3,4,5,6-Cyclohexanehexol; Rat antispectacled eye factor; Levoinositol; CCRIS 6745; AZD 103; Inositol, epi-; UNII-63GQX5QW03; UNII-8LQ63P85IC; UNII-9O6Y5O4P9W; UNII-R1Y9F3N15A; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MFCD00077932; ELND005; 1,3,5/2,4,6-Hexahydroxycyclohexane; UNII-4661D3JP8D; UNII-6R79WV4R10; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; 1-L-chiro-Inositol; (-)-chiro-Inositol; UNII-1VS4X81277; CHEBI:17268; AI3-16111; NSC8101; 1,3,5/2,4,6-cyclohexanehexol; UNII-4L6452S749; UNII-587A93P465; 1,2,3,5/4,6-Cyclohexanehexol; NSC 8101; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; MFCD00065455; NSC404118; Inositol, myo- (8CI); myo-Inositol;meso-Inositol; 1,2,3,4,5,6-Hexahydroxycyclohexane; NSC 404118; 63GQX5QW03; 8LQ63P85IC; 9O6Y5O4P9W; R1Y9F3N15A; CHEBI:10642; CHEBI:23927; CHEBI:27372; CHEBI:27987; 4661D3JP8D; 6R79WV4R10; MI; Inositol (VAN8C; NSC-8101; NSC45517; NSC55551; NSC55552; NSC-25142; NSC-55551; UNII-M94176HJ2F; 1VS4X81277; NSC-404118; INS; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; NCGC00159409-02; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexaol; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; 4L6452S749; 587A93P465; DSSTox_CID_3146; DSSTox_RID_76890; DSSTox_GSID_23146; 1,3,4,5,6-Cyclohexanehexol; 1,3,5/4,6-Cyclohexanehexol; alloinositol; neoinositol; 1,2,4/3,5,6-cyclohexanehexol; rel-(1r,2r,3r,4r,5r,6r)-Cyclohexane-1,2,3,4,5,6-hexaol; rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; Mouse antialopecia factor; 1,2,3,4,5,6-Cyclohexanehexol #; cis-1,2,3,4,5,6-cyclohexanehexol; Inositol, cis-; Inositol, neo-; CAS-87-89-8; cis-1,3,5-trans-4,6-Cyclohexanehexol; epi-Cyclohexanehexol; SMR000857145; SMR000857319; SMR000857320; M94176HJ2F; (+)-Inositol; Inositol NF 12; scyllo-Cyclohexanehexol; SR-05000001655; Chiro-inositol, (-)-; EINECS 201-781-2; inositols; Matezodambose; an inositol; Inositol [Nonspecific isomer]; Muscle sugar; ELND 005; inositol myo-; D-muco-Inositol; Inositol, myo; Inositol FCC; 4irx; Inositol, chiro-; rac-chiro-inositol; Inosital (TN); Inositol (NF); CBU; EINECS 207-681-5; EINECS 207-682-0; EINECS 209-000-7; EINECS 211-393-5; EINECS 211-394-0; EINECS 230-024-9; NSC 25142; EPIINOSITOL; (+)-Epi-Inositol; (+)-Chiro-Inositol; Epi-inositol, 98%; allo-Inositol, 97%; Inositol [USAN:NF]; INOSITOL, MESO; Spectrum_001595; 2os9; orthorhombic myo-inositol; D-(+)-Chiro Inositol; J101.890F; J101.891D; Chiro-inositol, (+)-; INOSITOL (D); INOSITOL (L); Spectrum3_001053; Spectrum4_001193; Spectrum5_000961; myo-Inositol, >=99%; bmse000102; bmse000103; bmse000113; bmse000901; bmse000922; Epitope ID:144993; scyllo-Inositol, >=98%; SCHEMBL5831; SCHEMBL5832; SCHEMBL5969; NCIOpen2_008191; BSPBio_002606; KBioGR_001885; KBioSS_002075; 38876-99-2; MLS001332377; MLS001332378; MLS001335965; MLS001335966; MLS001335967; MLS001335968; SCHEMBL187278; SCHEMBL187397; SCHEMBL187796; SCHEMBL188106; SCHEMBL188237; SCHEMBL491333; SCHEMBL959404; SCHEMBL959405; AZD103; CHEMBL278373; CHEMBL468154; ELND-005; GTPL4495; GTPL4645; GTPL4648; GTPL4649; MEGxp0_001817; SCHEMBL1055883; SCHEMBL4748543; SCHEMBL6378921; SCHEMBL6468882; SCHEMBL6791918; CHEMBL1222251; CHEMBL1231671; CHEMBL1950780; CHEMBL3976780; DTXSID7023146; SCHEMBL12371461; SCHEMBL12377889; SCHEMBL12411898; SCHEMBL12711208; SCHEMBL12735687; SCHEMBL13058696; SCHEMBL13114115; SCHEMBL13114116; SCHEMBL13114128; SCHEMBL13207905; SCHEMBL13580047; SCHEMBL14542470; SCHEMBL21388397; ACon1_002457; CHEBI:22357; CHEBI:23311; CHEBI:24848; CHEBI:25492; CHEBI:27374; D-(+)-chiro-Inositol, 95%; KBio2_002075; KBio2_004643; KBio2_007211; KBio3_001826; L-(-)-chiro-Inositol, 95%; AZD-103; DTXSID30110000; DTXSID50905091; DTXSID60903982; myo-Inositol, p.a., 98.0%; 1,2,3,4,5/6-cyclohexanehexol; 1,2,3,4/5,6-cyclohexanehexol; 1,2,3/4,5,6-cyclohexanehexol; 1,2,4,5/3,6-cyclohexanehexol; HMS2091N13; HMS2230N03; HMS2235H05; HMS2235M23; HMS3369B06; HMS3369F20; HMS3373E05; Pharmakon1600-01500352; 1,2,3,4,5,6-Cyclohexanehexaol; BCP25172; HY-B1411; HY-N3021; NSC25142; NSC55558; ZINC1530357; D-myo-Inositol, Cell Culture Grade; Tox21_111642; Tox21_302035; 6643AB; CCG-36096; cis-Inositol, >=98.0% (TLC); MFCD00003863; MFCD00272608; MFCD00799555; MFCD00799556; MFCD01321249; NSC 55552; NSC 55558; NSC-45517; NSC-55552; NSC-55558; NSC103959; NSC127230; NSC757076; s4530; STL453612; epi-Inositol, >=98.0% (HPLC); 1,2,3,4,5,6/0-cyclohexanetetrol; AKOS006240678; AKOS006332036; AKOS015895894; AKOS015912905; AKOS015912934; AKOS015960429; AKOS015960633; AKOS015994742; AKOS024318869; Tox21_111642_1; ZINC100018867; ZINC100019018; ZINC100024490; ZINC100032893; ZINC100035580; ZINC100037751; ZINC100055570; ZINC100073149; ZINC100513675; ZINC101185827; ZINC102201844; ZINC103574430; ZINC103574467; ZINC103574475; ZINC250615063; ZINC253837650; ZINC306121118; CS-4782; CS-W010757; DB03106; DB13178; DB15350; HY-W010041; KS-1284; KS-1420; MCULE-2727773046; NSC 103959; NSC 127230; NSC-103959; NSC-127230; NSC-757076; SB44732; SB45039; SB46764; SB46855; D-chiro-Inositol, >=98.0% (HPLC); NCGC00159409-03; NCGC00159409-04; NCGC00169828-01; NCGC00178580-01; NCGC00178580-03; NCGC00255362-01; AC-11070; AS-10616; AS-68396; AS-68424; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; K572; LS-13189; NCI60_041778; SY060836; myo-Inositol, purum, >=98.0% (HPLC); rac-chiro-1,2,3,4,5,6-cyclohexanehexol; SBI-0051369.P003; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; DB-051583; DB-051584; DB-054642; HY-121962; myo-Inositol, for microbiology, >=99.0%; CS-0023004; CS-0083766; FT-0627237; FT-0632208; FT-0632209; FT-0632730; FT-0652045; FT-0670351; FT-0670357; FT-0693444; FT-0693614; I0040; I0628; I0629; I0630; I0631; I0632; I0633; S6176; myo-Inositol, BioUltra, >=99.5% (HPLC); myo-Inositol, SAJ special grade, >=99.0%; myo-Inositol, Vetec(TM) reagent grade, 99%; C00137; C06151; C06152; C06153; C19891; D08079; D78450; D91187; D91188; D91189; E78671; F19572; I-6500; M01914; T72516; 2-Cyano-N-(2,4,6-trimethyl-phenyl)-acetamide; AB00051982_13; 643C129; A834712; A836375; A866896; Q407997; Q743661; Q-201583; Q2838375; Q2974313; Q3011024; Q3023527; Q3205874; Q3331426; Q3347078; Q3589114; SR-05000001655-1; SR-05000001655-5; W-202861; W-202862; W-203081; W-203168; W-203392; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexaol; (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol; D-MYO-INOSITOL-1,2,5,6-TETRAPHOSPHATE SODIUM SALT; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, United States Pharmacopeia (USP) Reference Standard; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; 2H3; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8101	.	.	.	.	180.16	C6H12O6	121	104	-3.7	12	6	6	0	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H	C1(C(C(C(C(C1O)O)O)O)O)O	CDAISMWEOUEBRE-UHFFFAOYSA-N
DG50012	Nicotinamide	936	"nicotinamide; niacinamide; 98-92-0; 3-Pyridinecarboxamide; pyridine-3-carboxamide; Nicotinic acid amide; vitamin PP; Papulex; Aminicotin; Amixicotyn; Nicobion; Nicotylamide; Nikotinamid; Savacotyl; Benicot; Dipegyl; Endobion; Hansamid; Pelmine; Nicotinic amide; Delonin amide; Pelonin amide; Vi-Nicotyl; Austrovit PP; Inovitan PP; Vitamin B; Nicosylamide; Nicotilamide; Nicotililamido; Amnicotin; Niacevit; Nicamina; Nicamindon; Nicofort; Nicomidol; Nicotamide; Nicovitina; Nicovitol; Nicozymin; Niocinamide; Niozymin; Niamide; Nicasir; Nicogen; Nicota; Nicotol; Nicovit; Niko-tamin; 3-Carbamoylpyridine; Nicotine acid amide; Nandervit-N; Pyridine-3-carboxylic acid amide; Niavit PP; Nicosan 2; Nicotine amide; beta-Pyridinecarboxamide; Nikotinsaeureamid; Nicotinamidum; Nicotylamidum; Mediatric; Nicotinsaureamid; Pyridine, 3-carbamoyl-; 3-Pyridinecarboxylic acid amide; m-(Aminocarbonyl)pyridine; Acid amide; Factor pp; Nicotinamida; Nicovel; Vitamin B (VAN); Pelmin; Amid kyseliny nikotinove; Witamina PP; PP-Faktor; Amide PP; Nicotinsaureamid [German]; Nikotinsaeureamid [German]; Amid kyseliny nikotinove [Czech]; Nicotinamidum [INN-Latin]; Nicotinamida [INN-Spanish]; NAM; Nictoamide; CCRIS 1901; Dipigyl; HSDB 1237; Vi-noctyl; AI3-02906; NSC 13128; b-Pyridinecarboxamide; Niacinamide [USP]; UNII-25X51I8RD4; 3-(aminocarbonyl)pyridine; MFCD00006395; .beta.-Pyridinecarboxamide; Nicotinamide (Vitamin B3); CHEMBL1140; MLS000069714; CHEBI:17154; 25X51I8RD4; NSC13128; Niacinamide (USP); NSC-13128; NSC-27452; NCGC00093354-03; NCGC00093354-05; SMR000058212; DSSTox_CID_929; Niacinamide;Nicotinic acid amide;Vitamin B3; WLN: T6NJ CVZ; DSSTox_RID_75873; DSSTox_GSID_20929; Niacinamide [USAN]; Enduramide; CAS-98-92-0; B3, Vitamin; Vitamin B 3; B 3, Vitamin; 3 Pyridinecarboxamide; SR-01000721872; Nicotinsaureamid Jenapharm; EINECS 202-713-4; Jenapharm, Nicotinsaureamid; Niacinamid; Niacotinamide; Nicotinamid; nicotin-amide; Nicotinsaeureamid; 3-Amidopyridine; DEA No. 1405; Nicotinamide,(S); Vitamin B3 amide; 3-yridinecarboxamide; Nicotinamide [INN]; Mediatric (Salt/Mix); niacin - Vitamin B3; 1yc5; Opera_ID_775; Niacin (as niacinamide); Niacinamide(Vitamin B3); bmse000281; MolMap_000061; EC 202-713-4; SCHEMBL2926; Nicotinamide (JP17/INN); MLS001424246; Nicotinamide-(amide-[15N]); SCHEMBL6278767; SGCUT00176; ZINC5878; DTXSID2020929; SCHEMBL19978192; BDBM27507; Nicotinamide, niacin, vitamin B3; HMS2052M21; HMS2090B05; HMS2093H03; HMS2236J03; HMS3370F21; HMS3394M21; HMS3655M20; HMS3713B22; HMS3884A16; Pharmakon1600-01505397; BCP07322; HY-B0150; Nicotinamide (Vitamin B3) solution; NSC27452; to_000073; Nicotinamide 1.0 mg/ml in Methanol; Nicotinamide, >=98.5% (HPLC); Nicotinamide, >=99.5% (HPLC); Tox21_111202; Tox21_201716; Tox21_302776; NSC759115; s1899; STL163867; AKOS005715850; Tox21_111202_1; CCG-101149; CS-1968; DB02701; MCULE-3532732201; NC00399; NSC-759115; SB74497; Nicotinamide, >=98% (HPLC), powder; NCGC00093354-04; NCGC00093354-06; NCGC00093354-09; NCGC00256432-01; NCGC00259265-01; AS-13845; BN166252; K774; Nicotinamide, puriss., 99.0-101.0%; SY024804; Nicotinamide 10 microg/mL in Acetonitrile; Nicotinamide, tested according to Ph.Eur.; SBI-0206826.P001; DB-057754; FT-0631517; FT-0672696; FT-0773644; N0078; N1651; SW197779-3; EN300-15612; Niacinamide, meets USP testing specifications; C00153; D00036; J10422; Nicotinamide (Niacinamide), analytical standard; AB00373895-13; AB00373895_15; AB00373895_16; Nicotinamide, Vetec(TM) reagent grade, >=98%; A845925; AC-907/25014114; Q192423; Q-201470; SR-01000721872-3; SR-01000721872-4; SR-01000721872-5; Z33546463; F2173-0513; Niacinamide;Nicotinic acid amide;Vitamin B3; Vitamin PP; Nicotinamide, British Pharmacopoeia (BP) Reference Standard; A186B02E-6C70-4E54-9739-79398D439AAA; Nicotinamide, European Pharmacopoeia (EP) Reference Standard; Niacinamide, United States Pharmacopeia (USP) Reference Standard; Niacinamide, Pharmaceutical Secondary Standard; Certified Reference Material; Nicotinamide, BioReagent, suitable for cell culture, suitable for insect cell culture; Nicotinamide (Vitamin B3) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13128	.	.	.	.	122.12	C6H6N2O	56	114	-0.4	9	1	2	1	"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)"	C1=CC(=CN=C1)C(=O)N	DFPAKSUCGFBDDF-UHFFFAOYSA-N
DG50013	Spermidine	1102	"spermidine; 124-20-9; 1,5,10-Triazadecane; 4-Azaoctamethylenediamine; Spermidin; N1-(3-Aminopropyl)butane-1,4-diamine; 4-Azaoctane-1,8-diamine; N-(3-aminopropyl)butane-1,4-diamine; 1,4-Butanediamine, N-(3-aminopropyl)-; 1,8-Diamino-4-azaoctane; N-(3-Aminopropyl)-1,4-butanediamine; N-(3-Aminopropyl)-1,4-diaminobutane; N'-(3-aminopropyl)butane-1,4-diamine; N-(3-Aminopropyl)-1,4-butane-diamine; 1,4-Diaminobutane, N-(3-aminopropyl)-; Vmp7 antigen; UNII-U87FK77H25; BRN 1698591; 1,4-Butanediamine, N1-(3-aminopropyl)-; AI3-26636; gp130 Signal transducer; (4-aminobutyl)(3-aminopropyl)amine; MFCD00008229; N-(4-Aminobutyl)-1,3-diaminopropane; CHEMBL19612; CHEBI:16610; U87FK77H25; 133483-05-3; 133483-10-0; SPD; Spermidine hydrochloride; NSC528399; EINECS 204-689-0; N~1~-(3-azaniumylpropyl)butane-1,4-diaminium; 1pot; Aminopropylbutandiamine; Spectrum_000005; Tocris-0959; Spectrum2_000874; Spectrum3_000977; Spectrum4_001101; Spectrum5_001561; Lopac-S-2501; Biomol-NT_000212; bmse000116; bmse000951; bmse000955; Spermidine 0.1 M solution; Lopac0_001047; SCHEMBL15618; BSPBio_002613; KBioGR_001542; KBioSS_000345; 4-04-00-01300 (Beilstein Handbook Reference); DivK1c_001007; SPBio_000947; Spermidine, >=99% (GC); Spermidine, analytical standard; BPBio1_001276; GTPL2390; DTXSID4036645; KBio1_001007; KBio2_000345; KBio2_002913; KBio2_005481; KBio3_001833; NINDS_001007; HY-B1776; STR06606; ZINC1532612; BDBM50009353; s3569; N-(3-Aminopropyl)-4-aminobutylamine; AKOS006222987; CCG-205124; DB03566; MCULE-8096530192; SDCCGMLS-0066822.P001; SDCCGSBI-0051017.P003; IDI1_001007; N-(3-Aminopropyl)-1,4-diamino-butane; NCGC00015937-01; NCGC00015937-02; NCGC00015937-03; NCGC00015937-04; NCGC00015937-05; NCGC00015937-08; NCGC00024903-01; NCGC00024903-02; NCGC00024903-03; AC-33945; M923; N-(gamma-aminopropyl)tetramethylenediamine; N1-(3-Aminopropyl);butane-1,4-diamine; NCI60_004294; DB-026892; CS-0013804; FT-0629162; C00315; D95527; S-7300; 124S209; A890571; Q418834; Spermidine, suitable for cell culture, BioReagent; N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE; PA(34); 732A5665-46DA-4AD4-9009-FA0688CF6398; Spermidine, BioUltra, for molecular biology, >=99.5% (GC); Spermidine, BioReagent, for molecular biology, suitable for cell culture, >=98%; 1122077-27-3; N-(3-Aminopropyl)-1,4-butanediamine; Spermidine N-(3-Aminopropyl)-1,4-butanediamine; 4-azaoctamethylenediamine; N-(3-Aminopropyl)-1,4-diaminobutane~1,8-Diamino-4-azaoctane; N-(3-Aminopropyl)-1,4-butandiamine; SR0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	528399	.	.	.	.	145.25	C7H19N3	64.099	56.8	-1	10	3	3	7	"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2"	C(CCNCCCN)CN	ATHGHQPFGPMSJY-UHFFFAOYSA-N
DG50014	L-Thymidine	1134	"L-Thymidine; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 1-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3424-98-4; NSC21548; 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione; 16053-52-4; .beta.-D-Ribofuranoside, thymine-1 2-deoxy-; 1-(2/'-deoxy-beta-threopentofuranosyl)thymine; SMR000279619; 1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; Deoxythymidin; NSC-21548; 1-(4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3'-; A-Thymidine; Thymidine ; A-Thymidine; CHEMBL6497; SCHEMBL19895; MLS006011417; MLS006011930; DTXSID20936337; CHEBI:188725; HMS1672M07; HMS3655I15; HMS3741O13; ALBB-021998; BCP11390; BCP22954; BBL001145; MFCD00066756; NSC526738; STK366766; AKOS000656383; AKOS016316039; MCULE-3606109379; NSC-526738; PB32085; SB20806; NCGC00166148-01; DS-14352; NCI60_001800; SY005232; SY029169; AM20100149; FT-0631214; FT-0635303; FT-0674834; FT-0675205; FT-0700740; FT-0772221; FT-0774083; A847929; BRD-A16497681-001-01-1; Thymine, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-; Z1259192075; 15230A97-46A3-403C-BBF9-1A77960B8DE2; 1-(2-deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one; 1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-5-methyl-; 1-(2-Deoxy-; A-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione; 2,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-methyl-; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-5-methyl-; 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;Telbivudine; 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21548	.	.	.	.	242.23	C10H14N2O5	99.1	381	-1.2	17	3	5	2	"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O	IQFYYKKMVGJFEH-UHFFFAOYSA-N
DG50015	DL-Tryptophan	1148	"DL-Tryptophan; 54-12-6; 2-amino-3-(1H-indol-3-yl)propanoic acid; Racemic Tryptophan; DL-Trytophane; DL-Trytophan; (+-)-Tryptophan; H-DL-Trp-OH; DL-3beta-Indolylalanine; DL-tryptophane; NSC 13118; DL-alpha-Amino-3-indolepropionic acid; TRYPTOPHAN, DL-; MFCD00064339; CHEBI:27897; (+/-)-2-Amino-3-(3-indolyl)propionic acid; NSC13119; DL-.alpha.-Amino-3-indolepropionic acid; (+/-)-alpha-Amino-3-indolepropionic acid; DL-Tryptophan, >=99% (HPLC); Tryptophan, DL; 27813-82-7; CCRIS 719; SR-01000597138; EINECS 200-194-9; Htrp; AI3-24395; d,l-tryptophan; NSC-13119; Propionic acid, 2-amino-3-indol-3-yl; DL-2-Amino-3-indolepropionic acid; (+/-)-Tryptophan; beta-3-indolylalanine; DL-3A-Indolylalanine; Spectrum_000087; POLY-L-TRYPTOPHAN; Spectrum2_001102; Spectrum3_001379; Spectrum4_000579; Spectrum5_001310; (.+/-.)-Tryptophan; (r)-(+)l-trp; DSSTox_CID_1418; SCHEMBL7327; DSSTox_RID_76151; NCIOpen2_006535; DSSTox_GSID_21418; BSPBio_002938; KBioGR_001018; KBioSS_000507; SPECTRUM1500600; SPBio_001204; a-amino-3-indolepropionic acid; CHEMBL484901; DTXSID0021418; SCHEMBL19161120; ACon1_001815; KBio2_000507; KBio2_003075; KBio2_005643; KBio3_002158; MIT-461; HMS1648B01; HMS1921I11; HMS2092A20; ALBB-007460; NSC13118; WLN: T56 BMJ D1YZVQ -L; Tox21_202793; BBL004467; CCG-40280; NSC-13118; NSC122286; STK029637; 2-amino-3-(3-indolyl)propionic acid; AKOS000118922; AKOS016038053; CS-W013196; HY-W012480; MCULE-5675773208; NSC-122286; SB14995; SB14996; SB14997; SDCCGMLS-0066645.P001; alpha-amino-beta-3-indolepropionic acid; CAS-54-12-6; NCGC00015994-02; NCGC00015994-03; NCGC00015994-04; NCGC00015994-05; NCGC00015994-06; NCGC00015994-10; NCGC00015994-12; NCGC00094805-01; NCGC00094805-02; NCGC00094805-03; NCGC00094805-04; NCGC00260339-01; AC-24066; AS-11002; BP-12575; K248; NCI60_000685; SY010557; SY011477; SY012692; SBI-0051549.P002; 2-azanyl-3-(1H-indol-3-yl)propanoic acid; beta-(3-indolyl)-alpha-aminopropionic acid; DB-002704; 2-amino-3-(1H-indol-3-yl)-propionic acid; alpha-Amino-beta-(3-indolyl)-propionic acid; AM20060836; DL-Tryptophan, puriss., >=99.0% (NT); FT-0625525; FT-0625625; FT-0627592; FT-0675718; FT-0675719; T0540; (+-)-2-Amino-3-(3-indolyl)propionic Acid; VU0243366-4; C00806; D70570; DL-Tryptophan, Vetec(TM) reagent grade, 98%; T-8310; T-8320; T-8321; AB00052121-04; 064T339; A829974; L023952; J-019428; SR-01000597138-1; SR-01000597138-2; SR-01000597138-3; 5D88F09F-FA0E-488B-BEC6-DDDC859A7A29; BRD-A07106394-001-02-5; Q27103394; Q27115092; Z57248626; F3145-2942"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13119	.	.	.	.	204.22	C11H12N2O2	79.1	245	-1.1	15	3	3	3	"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)"	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	QIVBCDIJIAJPQS-UHFFFAOYSA-N
DG50016	Uracil	1174	"uracil; 66-22-8; 2,4-Dihydroxypyrimidine; 2,4(1H,3H)-Pyrimidinedione; 2,4-Pyrimidinediol; pyrimidine-2,4-diol; 2,4-Dioxopyrimidine; pyrimidine-2,4(1H,3H)-dione; Pyrod; Hybar X; 2,4-Pyrimidinedione; Pirod; 1H-Pyrimidine-2,4-dione; 51953-14-1; RU 12709; Ura; Uracil [USAN]; MFCD00006016; CCRIS 3077; Uracyl; Urazil; 2-Hydroxy-4(3H)-pyrimidinone; SQ 6201; SQ 7726; SQ 8493; CHEBI:17568; 1,2,3,4-tetrahydropyrimidine-2,4-dione; BMS 205603-01; AI3-25470; UNII-56HH86ZVCT; NSC 3970; Lamivudine impurity e; 2-Hydroxy-4(1H)-pyrimidinone; Lamivudine impurity e rs; NSC-3970; SQ-6201; SQ-7726; SQ-8493; 56HH86ZVCT; BMS-205603-01; 144104-68-7; 4-Hydroxy-2(1H)-pyrimidinone; Fluorouracil specified compound c; NSC3970; 66255-05-8; NCGC00181030-01; DSSTox_CID_1424; DSSTox_RID_76153; DSSTox_GSID_21424; 4-Hydroxyuracil; CAS-66-22-8; CID 5274267; Uracil (8CI); Uracil [USAN:JAN]; EINECS 200-621-9; 2,4-Pyrimidinediol (9CI); 8h-uracil; hydroxypyrimidinone; 4(3H)-Pyrimidinone, 2-hydroxy-; 2,6-Dioxypyrimidin; Uracil,(S); 2,4-Dioxypyrimidine; 2,4(1H,3H)-Pyrimidinedione (9CI); pyrimidine-2,4-dione; Fluorouracil Impurity C; Uracil, 99%; 1ui0; Uracil (JAN/USAN); 2,3H)-Pyrimidinedione; 4(3H)-Pyrimidinone, 2-hydroxy- (9CI); 2,6-Dihydroxypyrimidine; 2,4- Dihydroxypyrimidine; bmse000187; bmse000940; CHEMBL566; Epitope ID:120356; NCIMech_000782; SCHEMBL8235; Uracil, >=99.0%; MLS001304993; GTPL4560; 2,4-(1h,3h)-pyrimidinedione; DTXSID4021424; 1H-pyrimidine-2,4-dione;Uracil; Uracil, >=99.0% (T); HMS2234E19; HMS3264C13; HMS3373E18; HMS3652N05; Pharmakon1600-01502345; ZINC895045; BCP26546; HY-I0960; NSC29742; Tox21_112680; Tox21_201023; BDBM50549809; CCG-35866; NSC-29742; NSC759649; s4177; STK301734; STL124066; AKOS000119989; AKOS002303991; Tox21_112680_1; AM83913; CCG-213042; CS-W020104; DB03419; MCULE-1147953020; NSC-759649; PS-5279; SB55489; SB55884; NCGC00181030-02; NCGC00247663-01; NCGC00258576-01; Uracil, Vetec(TM) reagent grade, 98%; NCI60_003718; Pyrimidine-2,4(1H,3H)-dione (Uracil); SMR000752912; SY008943; Uracil 1000 microg/mL in Methanol:Water; DB-030518; DB-103964; BB 0242167; FT-0609769; FT-0694063; FT-0695907; FT-0695908; FT-0773727; SW220239-1; U0013; Uracil, suitable for cell culture, BioReagent; C00106; D00027; AB00171810_03; AB00171810_04; AB00918623-05; A835376; AC-907/30002021; Q182990; Z56889474; F1796-0008; E2FC11E5-1887-46DF-B415-82313CE9B2BD; Uracil, United States Pharmacopeia (USP) Reference Standard; Fluorouracil impurity C, European Pharmacopoeia (EP) Reference Standard; Uracil, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3970	.	.	.	.	112.09	C4H4N2O2	58.2	161	-1.1	8	2	2	0	"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)"	C1=CNC(=O)NC1=O	ISAKRJDGNUQOIC-UHFFFAOYSA-N
DG50017	Arabinofuranosyluracil	1177	"3083-77-0; ARABINOFURANOSYLURACIL; Uracil 1-beta-D-arabinofuranoside; 1-pentofuranosylpyrimidine-2,4(1H,3H)-dione; Spongouridin; Arabinosyluracil; 40436-51-9; Uracil arabinoside; 26287-69-4; Uracil, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; NSC20256; MFCD02683606; NSC-20256; 1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4(1H,3H)-dione; Uridine-5-d; 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; NCIOpen2_003486; Oprea1_327785; MLS006011814; CHEMBL68846; SCHEMBL2056758; SCHEMBL20987631; 1.beta.-D-Arabinofuranosyluracil; 1-.beta.-D-Arabinofurnosyluracil; CHEBI:143353; Uracil-.beta.-D-arabinofuranoside; HMS3371H19; HMS3655F11; NSC68928; BBL012100; MFCD00443487; NSC-68928; NSC240592; STK042764; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; AKOS000493532; AKOS022061523; MCULE-2717136969; NSC-240592; Uracil, 1-.beta.-D-arabinofuranosyl-; NCGC00263514-03; 1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furyl]pyrimidine-2,4(1H,3H)-dione; 4348-61-2; NCI60_001702; NCI60_032162; SMR000677923; SY005419; SY038117; SY116434; SY294272; VS-03200; DB-124994; EU-0068295; FT-0601495; FT-0675742; FT-0774223; FT-0774349; 2,4(1H,3H)-Pyrimidinedione, 1-pentofuranosyl-; L000879; .beta.-D-Ribofuranoside,4(1H,3H)-pyrimidinedione-1; 2,3H)-Pyrimidinedione, 1-.beta.-D-arabinofuranosyl-; 4D6A0DD6-B853-4420-A110-ADA0BAEE9EA7; 1-[(2R,3S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; 1-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furyl]pyrimidine-2,4(1H,3H)-dione; 688007-27-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20256	.	.	.	.	244.2	C9H12N2O6	119	371	-2	17	4	6	2	"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)"	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O	DRTQHJPVMGBUCF-UHFFFAOYSA-N
DG50018	"1,10-Phenanthroline"	1318	"1,10-phenanthroline; 66-71-7; o-phenanthroline; Phenanthroline; orthophenanthroline; 4,5-diazaphenanthrene; 1,10-o-phenanthroline; 2-phenanthroline; beta-phenanthroline; 1,10-Phenanthroline anhydrous; phen; 1,10-Fenanthrolin; .beta.-Phenanthroline; [1,10]phenanthroline; 1,10-Phenanthroline, Anhydrous; UNII-W4X6ZO7939; MFCD00011678; MLS000069797; CHEMBL415879; NSC 4265; CHEBI:44975; W4X6ZO7939; NSC203545; NSC4265; SMR000058190; DSSTox_CID_5857; DSSTox_RID_77950; DSSTox_GSID_25857; MLS002701886; CAS-66-71-7; PHN; 1,10-Fenanthrolin [Czech]; Activ-8; NSC-4265; CCRIS 4855; EINECS 200-629-2; NSC 203545; phenantroline; Cyto5A5; 1,10-phenanthrolin; 1,10-phenantroline; 1,10-phenathroline; 1,10 phenanthroline; 1,10-Fenanthroline; 1.10-phenanthroline; 1,1 0-phenanthroline; Opera_ID_711; [1,10]-Phenanthroline; Lopac-P-9375; Activ-8 in hexylene glycol; cid_1318; SCHEMBL8312; NCIStruc1_000192; NCIStruc2_000199; Lopac0_000985; DTXSID1025857; WLN: T B666 CN NNJ; 1,10  CPhenanthroline anhydrous; NCI4265; 1,10-Phenanthroline (anhydrous); 1,10-Phenanthroline, >=99%; HMS2234D03; HMS3263E11; HMS3371F11; ZINC164363; AMY25754; Tox21_201998; Tox21_303111; Tox21_500985; BDBM50092158; CCG-38059; NCGC00013043; s6830; STL069281; AKOS000281773; CS-W004544; DB02365; HY-W004544; LP00985; MCULE-2911225521; NSC-203545; SDCCGSBI-0050958.P003; NCGC00013043-02; NCGC00013043-03; NCGC00013043-04; NCGC00013043-05; NCGC00013043-06; NCGC00013043-07; NCGC00013043-08; NCGC00013043-09; NCGC00013043-10; NCGC00013043-13; NCGC00091201-01; NCGC00091201-02; NCGC00091201-03; NCGC00091201-04; NCGC00257123-01; NCGC00259547-01; NCGC00261670-01; AC-18353; AS-14043; K835; NCI60_003976; P116; DB-013750; EU-0100985; FT-0606035; FT-0660636; P0221; P0879; P1826; Solution forms containing 1,10-phenanthroline; C00604; O10332; P 9375; 011P678; A835532; AA-860/25004133; Q416005; SR-01000076093; CU-00000000156-1; J-610043; SR-01000076093-1; W-104740; F3377-1129; 1,10-Phenanthroline in combination with isoniazid and rifampicin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4265	.	.	.	.	180.2	C12H8N2	25.8	183	1.8	14	0	2	0	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H	C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1	DGEZNRSVGBDHLK-UHFFFAOYSA-N
DG50019	"1-Methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate"	1385	"UC84; NSC 615985; NSC-615985; 1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate; 135812-04-3; UC-84; UNII-IJ5WR6SKU5; NSC615985; IJ5WR6SKU5; NCIMech_000416; CHEMBL190729; SCHEMBL9198223; DTXSID70159539; ZINC1492540; CCG-35660; DB08682; 2-Chloro-5-((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonylamino)benzoic acid 1-methylethyl ester; NCI60_005031; UC4; Q27097871; 1-methylethyl-2-chloro-5-[[5,4-oxathiin-3-yl-carbonyl]-amino]benzoate; 1-Methylethyl 2-chloro-5[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate; isopropyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate; 1-methylethyl 2-chloro-5-{[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl]amino}benzoate; Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl)amino)-, 1-methylethyl ester; Benzoic acid, 2-chloro-5[(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)carbonylamino]isopropyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615985	.	.	.	.	355.8	C16H18ClNO4S	89.9	495	3.4	23	1	5	5	"InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)"	CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C	FMQGUMRNTBJHEA-UHFFFAOYSA-N
DG50020	Edelfosine	1392	"EDELFOSINE; 70641-51-9; 1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine; ET-18-OMe; ET 18-OCH3; Ro 14-5243; 1-Octadecyl-2-methylglycero-3-phosphorylcholine; rac-1-Octadecyl-2-methoxyglycero-3-phosphocholine; 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate; CHEMBL28509; 1-O-Octadecyl-2-O-methyl-rac-glyceryl-3-phosphorylcholine; Racemic 1-O-octadecyl-2-O-methylglycero-3-phosphocholine; CHEBI:78652; AlP; NSC324368; NSC-324368; NSC-343649; 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-; Choline hydroxide, (+-)-2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt; Edelfosine [INN]; Edelfosina; Edelfosinum; ALKYL-LYSOPHOSPHOLIPID; 65492-82-2; Edelfosinum [INN-Latin]; Edelfosina [INN-Spanish]; 1-Octadecyl-2-methylphosphorylcholine; 1-Octadecyl-2-methylglycero-3-phosphocholine; 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine; BRN 4358577; Choline, 1-octadecyl-2-methoxy-3-phosphoryl-; PHOSPHORYLCHOLINE, 1-OCTADECYL-2-METHYL- (ALP); 3,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide; NSC 324368; 2-[hydroxy-(2-methoxy-3-octadecoxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium; SCHEMBL52069; ET-18-O Me; DTXSID9045766; Edelfosine, >=95% (HPLC); NIOSH/GA4029000; (+/-)-ET-18-OMe; CMC_9491; (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate; BDBM50011796; MFCD00135190; NSC343649; (+/-)-ET-18-OCH3; NSC 343649; Ro-14-5243; DB-082060; FT-0773005; GA40290000; O-0318; rac-1-Octadecyl-2-methoxy-glycerophosphocholine; Q3579094; 1-octadecyl-2-methoxy-rac-glycero-3-phosphocholine(ET-18-OMe); 2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate; {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium; Choline hydroxide, 2-methoxy-3-(octadecyloxy)propyl hydrogen phosphate, inner salt; Phosphoric acid 2-dimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester; ammonium; Phosphoric acid 2-trimethylamino-ethyl ester 2-methoxy-3-octadecyloxy-propyl ester; {2-[Hydroxy-(2-methoxy-3-octadecyloxy-propoxy)-phosphoryloxy]-ethyl}-trimethyl-ammonium(ET-18-OMe); 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide (9CI); 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (+/-)-; 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-, hydroxide,inner salt,4-oxide; ethanaminium, 2-[[hydroxy[2-methoxy-3-(octadecyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324368	.	.	.	.	523.7	C27H58NO6P	77	492	7.6	35	0	6	27	"InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3"	CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC	MHFRGQHAERHWKZ-UHFFFAOYSA-N
DG50022	5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol	1546	CHEMBL17639; 5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; NSC105014; 5542-92-7; Leustat; SMR000857123; NSC-105013; NCGC00018167-03; S1199; Cladribine Impurity D; 2-Chloro-9-(2-deoxy-beta-D-arabinofuranosyl)adenine; 2-Chloro-2-deoxyadenosine; cid_1546; NCIOpen2_007300; NCIOpen2_007340; MLS001332517; MLS001332518; SCHEMBL1820786; DTXSID50274315; HMS2230B17; HMS3372K21; HMS3394K13; HMS3654I20; HMS3867N03; BDBM50008366; NSC105013; AKOS015951173; NCGC00018167-04; NCGC00018167-05; LS-13779; NCI60_000122; FT-0602941; AB00642031-06; Q-200869; 5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxy methyl)oxolan-3-ol; 5-(6-Amino-2-chloro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105014	.	.	.	.	285.69	C10H12ClN5O3	119	338	0.8	19	3	7	2	"InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)"	C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O	PTOAARAWEBMLNO-UHFFFAOYSA-N
DG50023	"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	1552	"CHEMBL1986244; NSC659554; NSC-659554; NCI60_021005; 6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659554	.	.	.	.	366.94	C10H16Br2Cl2	0	195	4.8	14	0	0	6	"InChI=1S/C10H16Br2Cl2/c1-4-10(14,7-11)6-5-8(12)9(2,3)13/h4,8H,1,5-7H2,2-3H3"	CC(C)(C(CCC(CBr)(C=C)Cl)Br)Cl	OGRGXGGBTRUIDS-UHFFFAOYSA-N
DG50024	"2-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"	1573	"2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; 2-ME2;NSC-659853; 2-Methoxy-.beta.-estradiol; 2-Methoxy-17alpha-estradiol; NSC659853; 2-methoxy-17-estradiol; Neuro_000385; CHEMBL23576; 2-Methoxyestradiol-[13C,d3]; SCHEMBL13123068; CHEBI:110165; HMS3268G22; AKOS015967320; FT-0612836; 2-Methoxyestra-1(10),2,4-triene-3,17-diol; 2-Methoxyestra-1,3,5(10)-triene-3,17.beta.-diol; BRD-A79248021-001-01-1; Q27189546"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659853	.	.	.	.	302.4	C19H26O3	49.7	425	4	22	2	3	1	"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3"	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O	CQOQDQWUFQDJMK-UHFFFAOYSA-N
DG50025	"3,4-Dichloroisocoumarin"	1609	"3,4-dichloroisocoumarin; 51050-59-0; 3,4-Dichloro-1H-isochromen-1-one; 3,4-dichloroisochromen-1-one; 3,4 dichloroisocoumarin; 1H-2-Benzopyran-1-one,3,4-dichloro-; 3,4dichloroisocoumarin; 3,4-DCI; UNII-SD08W1HH6E; SD08W1HH6E; CHEMBL24983; MFCD00036960; 3,4-Dcl; 3,4-Dichloro-1H-2-benzopyran-1-one; 1H-2-Benzopyran-1-one, 3,4-dichloro-; 3,4-Dichloro-2-benzopyran-1-one; Lopac-D-7910; cid_1609; Lopac0_000442; BSPBio_001549; KBioGR_000269; KBioSS_000269; MLS002153325; SCHEMBL106901; 3,4-Dichloro-isochromen-1-one; KBio2_000269; KBio2_002837; KBio2_005405; KBio3_000537; KBio3_000538; DTXSID70199056; CHEBI:109540; Bio2_000269; Bio2_000749; HMS1361N11; HMS1791N11; HMS1989N11; HMS3261I06; HMS3402N11; ZINC388510; Tox21_500442; BDBM50199883; HSCI1_000089; NSC727363; PI-110; AKOS037649173; 3,4-Dichloro-1H-isochromen-1-one #; CCG-204534; DB04459; LP00442; NSC 727363; NSC-727363; SDCCGSBI-0050427.P003; IDI1_034019; QTL1_000002; NCGC00015369-01; NCGC00015369-02; NCGC00015369-03; NCGC00015369-04; NCGC00015369-05; NCGC00015369-06; NCGC00015369-08; NCGC00093859-01; NCGC00093859-02; NCGC00093859-03; NCGC00261127-01; BS-16930; SMR001230738; AM20210045; CS-0090293; EU-0100442; D 7910; D81013; 3,4-Dichloroisocoumarin serine protease inhibitor; 050D590; 3,4-Dichloroisocoumarin, serine protease inhibitor; SR-01000075831; SR-01000075831-1; BRD-K23704908-001-02-4; BRD-K23704908-001-03-2; Q27095241"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727363	.	.	.	.	215.03	C9H4Cl2O2	26.3	273	3.1	13	0	2	0	InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl	SUGXUUGGLDCZKB-UHFFFAOYSA-N
DG50026	"2(1H)-Pyridone, 4-amino-1-beta-D-ribofuranosyl-"	1652	"4-amino-1-pentofuranosylpyridin-2(1h)-one; NSC-133115; NCGC_DAC; 2(1H)-Pyridone, 4-amino-1-.beta.-D-ribofuranosyl-; CHEMBL443265; SCHEMBL6676522; 2(1H)-Pyridinone, 4-amino-1-.beta.-D-ribofuranosyl-; SCHEMBL21184966; DTXSID40950999; NSC133115; NCI60_000729; 1-(.beta.-D-Ribofuranosyl)-4-amino-2-pyridone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133115	.	.	.	.	242.23	C10H14N2O5	116	381	-2.1	17	4	6	2	"InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2"	C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O	OGADSZTVCUXSOK-UHFFFAOYSA-N
DG50027	3-Methylcholanthrene	1674	"3-methylcholanthrene; 56-49-5; Methylcholanthrene; 20-Methylcholanthrene; 3-MC; 3-MCA; 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene; 20-MC; 3-Methoxycholanthrene; 3-methyl-1,2-dihydrocyclopenta[ij]tetraphene; 3-Methylchloanthrene; Cholanthrene, 3-methyl-; RCRA waste number U157; 1,2-Dihydro-3-methylbenz(j)aceanthrylene; Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-; MC; NSC 21970; UNII-214U33M1RL; CHEBI:34342; Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-; 1,2-dihydro-3-methylbenz[j]aceanthrylene; 214U33M1RL; 3-MeCA; 3-Methylbenz(j)aceanthrene; 3-MCH; 3-Methylcholanthren; 3-Methylcholanthren [German]; CCRIS 386; HSDB 2942; 3-Methylcyclopentabenzophenanthrene; EINECS 200-276-4; RCRA waste no. U157; BRN 1913890; 3-Methyl-I,J-cyclopentabenz(a)anthracene; AI3-50462; Spectrum_001938; Methylcholanthrene;3-MC; DSSTox_CID_862; Spectrum2_001094; Spectrum3_001202; Spectrum4_000915; Spectrum5_001844; Spectrum5_002063; Epitope ID:119713; 3-Methylcholanthrene (MC); 3-Methylcholanthrene, 98%; 3-Methylcholanthrene-(20); DSSTox_RID_75832; BIDD:PXR0170; DSSTox_GSID_20862; BSPBio_002584; KBioGR_001410; KBioSS_002488; 4-05-00-02648 (Beilstein Handbook Reference); BIDD:ER0539; CHEMBL40583; Cholanthrene, 20(3)-methyl; SPBio_001168; DTXSID0020862; KBio2_002481; KBio2_005049; KBio2_007617; KBio3_002084; US9144538, Methylcholanthrene; BDBM181120; BCP26039; NSC21970; ZINC1589655; Tox21_202592; US9138393, Methyl- cholanthrene; 6597AF; CCG-39765; MFCD00003704; NSC-21970; AKOS015842468; CAS-56-49-5; 3-Methylcholanthrene, analytical standard; NCGC00163126-01; NCGC00163126-02; NCGC00163126-03; NCGC00260140-01; AS-82938; Benz[j]aceanthrylene,2-dihydro-3-methyl-; NCI60_001826; {1H,2H-benzo[j]aceanthrylen-3-yl}methane; FT-0616145; FT-0616146; 3-Methyl-1,2-dihydrobenzo[j]aceanthrylene #; F17511; WLN: L E6 D6656 1A T&&&T&J R1; Q223099; BRD-K61463582-001-02-3; 3-Methylcholanthrene solution, 100 mug/mL in acetonitrile, analytical standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21970	.	.	.	.	268.4	C21H16	0	399	6.4	21	0	0	0	"InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3"	CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1	PPQNQXQZIWHJRB-UHFFFAOYSA-N
DG50028	Triferric doxorubicin	1691	"Triferric doxorubicin; NSC169534; Adriblastin; Adriamycin semiquinone; GNF-Pf-2453; 56420-45-2; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-; NCI-C01514; FI 106; NSC-169534; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-, mixt. with native calf thymus DNA; NDC 38242-874; ADR (Salt/Mix); Adriamycin Fe3Cl10 H; DOX HCl (Salt/Mix); NSC-123127; NSC-267703; Neuro_000057; Neuro_000121; Adriamycin-DNA hydrochloride; SCHEMBL233853; CHEMBL263733; CHEBI:91872; 3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; ADM; Adriamycin hydrochloride (Salt/Mix); Doxorubicin hydrochloride (Salt/Mix); FI-106; NSC267703; NSC272332; NSC272707; NSC272708; NSC302662; NSC303830; NSC303831; NSC307242; NSC307243; NSC321796; STK397071; STL484194; AKOS005434002; MCULE-1987806380; NSC-272332; NSC-272707; NSC-272708; NSC-302662; NSC-303830; NSC-303831; NSC-307242; NSC-307243; NSC-321796; FT-0601614; FT-0630692; FT-0656147; BRD-A76941896-001-01-6; BRD-A76941896-003-01-2; BRD-A76941896-003-02-0; Q27163668; (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; 3,6,11-trihydroxy-3-(hydroxyacetyl)-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; 3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-L-lyxo-hexopyranoside, (1S,3S)-; 3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, polymer with starch 2-hydroxyethyl ether; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Aluminate(1-), hydrogen, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (1:1); Cellulose, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; Dextran,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; Ferrate (1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis); Ferrate(1-),3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione]decachlorotri-, hydrogen, (8S-cis)-; Nucleic acid, sodium salt, compd. with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; Nucleic acid, sodium salt, compound with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; Starch, polymer with (8S-cis)-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169534	.	.	.	.	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-UHFFFAOYSA-N
DG50029	"5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol acetate"	1784	"131403-76-4; 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol acetate; NSC661180; [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] acetate; CHEMBL33165; 7-Acetoxy-6,7-dihydro-6-(4-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine; 6-Admpb; 6-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate; 7-Acetoxy-6-(p-methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepine; DTXSID00157028; ZINC3871084; BDBM50041502; NSC-661180; NCI60_021316; J-005995; 6-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate; (E)-6-(4-methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl acetate; Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester; Acetic acid [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester; Pyrrolo(2,1-d)(1,5)benzothiazepin-7-ol, 6-(4-methoxyphenyl)-, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661180	.	.	.	.	363.4	C21H17NO3S	65.8	556	4.1	26	0	4	4	"InChI=1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3"	CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC	NCWRHYSPTPPIQP-UHFFFAOYSA-N
DG50030	"1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-"	1805	"Azacytidine, 5-; 5-AZCR; 5 AZC; 5-AC; Azacitidine;5-AzaC;Ladakamycin; NCI-C01569; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one; CCRIS93; NSC 281272; Kymarabine; 1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-; Kymarabine; s-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; 1,3,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; Antibiotic U 18496; arabinofuranosyl-5-azacytosine; Vidaza (Pharmion); Ara AC; WR-183027; U 18496; Anitibiotic U 18496; Neuro_000048; Oprea1_630243; CHEMBL301216; SCHEMBL1249475; SCHEMBL20143987; HMS3373H14; HMS3651G19; NSC281272; ZINC01078622; AKOS003382387; MCULE-7974162026; SB18981; NCGC00015046-02; NCGC00015046-03; NCGC00015046-04; NCGC00094964-01; NCGC00094964-02; NCGC00181113-01; NCI60_000078; NCI60_002288; SY023613; 1-.beta.-D-Arabinofuranosyl-5-azacytosine; FT-0601307; AB01273944-01; WLN: T6NVN ENJ DZ A- BT5OTJ CQ DQ E1Q; 4-Amino-1-.beta.-D-ribofuranosyl-s-triazin-2(1H)-one; 1,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-; 4-Amino-1-.beta.-D-ribofuranosyl-1,3,5-triazin-2(1H)-one; 1,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D- arabinofuranosyl-; 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281272	.	.	.	.	244.2	C8H12N4O5	141	384	-2.2	17	4	5	2	"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)"	C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N	NMUSYJAQQFHJEW-UHFFFAOYSA-N
DG50031	5-Fluorouracil arabinoside	1821	"5-Fluorouracil arabinoside; MLS002702026; NSC146604; 18814-21-6; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione; FUrd; WLN: T6NVMVJ EF A-ET5OTJ B1Q CQ DQ; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidine-2,4-dione; AFU; Neuro_000082; SCHEMBL19901621; SCHEMBL21423048; 77180-80-4; NSC258350; NSC406444; NSC519273; STK682589; AKOS005597041; AKOS015960593; MCULE-1630075535; NSC-146604; NSC-258350; NSC-406444; NSC-519273; SB67392; AC-11749; AC-32304; LS-13623; NCI60_000997; SMR000565155; SY016933; FT-0600892; FT-0692734; FT-0771689; FT-0774790; AMINO-BENZO[B]THIOPHEN-3-YL-ACETICACID; 5-fluoro-4-hydroxy-1-pentofuranosylpyrimidin-2(1H)-one; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-4-hydroxypyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146604	.	.	.	.	262.19	C9H11FN2O6	119	414	-1.7	18	4	7	2	"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)"	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F	FHIDNBAQOFJWCA-UHFFFAOYSA-N
DG50032	"7,8-Dihydroxyflavone"	1880	"7,8-dihydroxyflavone; 38183-03-8; 7,8-dihydroxy-2-phenyl-4H-chromen-4-one; 7,8-Dihydroxyflavone hydrate; 7,8-DHF; 4H-1-Benzopyran-4-one, 7,8-dihydroxy-2-phenyl-; 7,8-Dihydroxy-flavone; 7,8-Dihydroxy-2-phenyl-chromen-4-one; 7,8-Dihydroxy-2-phenyl-4-benzopyrone; 7,8-dihydroxy-2-phenylchromen-4-one; UNII-ADB6MA8ZV2; ADB6MA8ZV2; CHEMBL75267; MFCD00006836; 7,8-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; EINECS 253-812-4; BRN 0234350; 7,8-diOH-Flavone; Spectrum_001087; Spectrum2_000952; Spectrum3_000213; Spectrum4_001823; Spectrum5_000585; 8-DHF; BSPBio_001825; KBioGR_002491; KBioSS_001567; SPECTRUM201315; 5-18-04-00079 (Beilstein Handbook Reference); BIDD:ER0103; DivK1c_000371; SCHEMBL419316; SPBio_000944; MEGxp0_001683; 7,8-dihydroxy-2-phenylchromone; HMS501C13; KBio1_000371; KBio2_001567; KBio2_004135; KBio2_006703; KBio3_001325; ZINC57657; DTXSID00191568; CHEBI:140464; NINDS_000371; HMS1923A03; HMS3263G12; HMS3743I05; HMS3886D10; BCP14497; Tox21_501075; BDBM50093539; CCG-39038; DHF, 7,8-; NSC750341; s8319; AKOS015856571; CS-W014088; HY-W013372; MCULE-2541416717; NSC 750341; NSC-750341; SDCCGMLS-0066465.P001; IDI1_000371; NCGC00095217-01; NCGC00095217-02; NCGC00095217-03; NCGC00095217-12; NCGC00178976-01; NCGC00261760-01; AC-23011; DS-16246; DB-049244; D1916; FT-0639436; 7,8-Dihydroxyflavone hydrate, >=98% (HPLC); C74948; 4H-1-Benzopyran-4-one,7,8-dihydroxy-2-phenyl-; A824039; SR-05000002499; SR-05000002499-1; BRD-K49535716-001-02-4; BRD-K49535716-001-03-2; Q19596931; 2(1H)-Pentalenone, 4,5,6,6a-tetrahydro-1,3-dimethyl-; 7,8-dihydroxy-2-phenyl-chromen-4-one;7,8-Dihydroxyflavone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	750341	.	.	.	.	254.24	C15H10O4	66.8	384	3.3	19	2	4	1	"InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H"	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O	COCYGNDCWFKTMF-UHFFFAOYSA-N
DG50033	8-Hydroxyquinoline	1923	"8-HYDROXYQUINOLINE; quinolin-8-ol; 8-quinolinol; 148-24-3; Oxyquinoline; Oxine; Quinophenol; Oxychinolin; 8-Quinol; 8-Oxyquinoline; Phenopyridine; 8-Hydroxychinolin; Bioquin; Oxybenzopyridine; Hydroxybenzopyridine; Oxin; 1-Azanaphthalene-8-ol; Tumex; 8-Chinolinol; 8-OQ; 8-Hydroxy-chinolin; Fennosan H 30; 8-Oxychinolin; Fennosan; o-Oxychinolin; Usaf ek-794; 8-hydroxy-quinoline; NCI-C55298; NSC 2039; Oxyquinoline [USAN]; MFCD00006807; Oxoquinoline; Albisal; NSC 615011; UNII-5UTX5635HP; NSC285166; 8-Quinolinol, homopolymer; MLS002702126; 5UTX5635HP; CHEMBL310555; CHEBI:48981; NSC 82408; quinoline-8-ol; NSC-2039; NSC 82404; NSC615011; NSC-285166; NSC-402623; NSC-615011; Oxyquinoline (USAN); NCGC00090708-03; NCGC00090708-05; Oxyquinol; DSSTox_CID_730; DSSTox_RID_75758; WLN: T66 BNJ JQ; DSSTox_GSID_20730; Oxine;8-Hydroxyquinoline;Quinophenol;8-Quinolinone; Fennosan HF-15; Caswell No. 719; Oxyquinoline (8-Hydroxyquinoline); 8-Chinolinol [Czech]; o-Oxychinolin [German]; Quinoline, 8-hydroxy-; 84063-18-3; CAS-148-24-3; SMR000112313; 8-Hydroxy-chinolin [German]; CCRIS 340; 8-hydroxy quinoline; NSC-48037; NSC-54230; NSC-82404; NSC-82405; NSC-82409; NSC-82410; NSC-82412; HSDB 4073; EINECS 205-711-1; EPA Pesticide Chemical Code 059803; BRN 0114512; Oxychinoline; AI3-00483; 8-Oxyquinolin; 8-Quinolinone; 8-Quinolol; 8-hydroxiquinoline; 8-hydroxychinoline; 8-hydroxylquinoline; HQY; 8-Quinolinol, p.a.; Spectrum_001053; 3vh9; 8-Hydroxyquinoline Oxine; Spectrum2_000697; Spectrum3_000534; Spectrum4_000465; Spectrum5_001280; 8-Hydroxyquinoline, 99%; EC 205-711-1; NCIMech_000694; cid_1923; NCIStruc1_000152; NCIStruc2_000240; NCIOpen2_000962; NCIOpen2_001020; NCIOpen2_001220; NCIOpen2_004264; SCHEMBL37189; BSPBio_002147; KBioGR_000910; KBioSS_001533; 5-21-03-00252 (Beilstein Handbook Reference); MLS001055492; BIDD:ER0371; DivK1c_000757; SPBio_000853; 8-Hydroxyquinoline, crystalline; ZINC8492; DTXSID5020730; BDBM32203; HMS502F19; KBio1_000757; KBio2_001533; KBio2_004101; KBio2_006669; KBio3_001647; NSC2039; NINDS_000757; 8-Quinolinol (7CI,8CI,9CI); ACT08881; HY-B1005; STR00721; Tox21_113083; Tox21_202986; Tox21_400006; 8-Oxychinolin, 8-Quinolinol, Oxine; CCG-35870; NSC 48037; NSC 54230; NSC 82405; NSC 82409; NSC 82410; NSC 82412; NSC402623; s4547; STK943764; 8-Hydroxyquinoline ACS Reagent Grade; AKOS001061311; AC-5109; CS-4502; DB11145; J2.960B; MCULE-7753869266; NSC 285166; NSC 402623; PS-4553; SB40773; 8-Hydroxyquinoline, ACS reagent, 99%; IDI1_000757; NCGC00090708-01; NCGC00090708-02; NCGC00090708-04; NCGC00090708-06; NCGC00090708-07; NCGC00090708-08; NCGC00090708-11; NCGC00260531-01; NCI60_001712; NCI60_002335; 8-HYDROXYQUINOLINE ACS GRADE 100G; SBI-0051472.P003; DB-012222; AM20050821; FT-0621550; H0305; 8-Quinolinol, JIS special grade, >=99.0%; 8-Quinolinol, Vetec(TM) reagent grade, 99%; EN300-17403; C19434; D05321; P17615; US9394254, 6; 8-Quinolinol, PESTANAL(R), analytical standard; AB00052065_08; 8-Quinolinol, >=99% (perchloric acid titration); A808745; AP-065/40180076; Q270162; CU-01000012874-2; W-108106; BRD-K66808046-065-01-1; Z56926518; F0001-0526; 8-Quinolinol, puriss. p.a., ACS reagent, for the detection and determination of Al, Mg and others, >=99.0% (NT); 8-Quinolinol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (perchloric acid titration)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2039	.	.	.	.	145.16	C9H7NO	33.1	138	2	11	1	2	0	"InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H"	C1=CC2=C(C(=C1)O)N=CC=C2	MCJGNVYPOGVAJF-UHFFFAOYSA-N
DG50034	NSC527017	1972	"1397-89-3; MLS002702966; SMR001566780; NSC527017; cid_1972; CHEMBL1700818; SCHEMBL17976509; BDBM83198; MCULE-9034353559; FT-0602850; 33-((3-amino-3,6-dideoxyhexopyranosyl)oxy)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid; 33-[(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	527017	.	.	.	.	924.1	C47H73NO17	320	1670	0	65	12	18	3	"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)"	CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O	APKFDSVGJQXUKY-UHFFFAOYSA-N
DG50035	Aceclidine	1979	"aceclidine; Quinuclidin-3-yl acetate; 827-61-2; 3-Acetoxyquinuclidine; Glaucostat; Aceclidinum; 3-Quinuclidinol acetate (ester); 1-azabicyclo[2.2.2]octan-3-yl acetate; 3-quinuclidinyl acetate; 3-Quinuclidinol, acetate (ester); 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester); NSC657843; NSC 657843; NSC-657843; CHEMBL20835; 1-Azabicyclo(2.2.2)octan-3-ol, acetate; 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester); MFCD00468105; NSC-758239; NCGC00024733-02; 3-Quinuclidinol acetate; Aceclidina; Aceclidine [USAN:INN]; Aceclidinum [INN-Latin]; Aceclidina [INN-Spanish]; 1-Azabicyclo[2.2.2]octan-3-ol, acetate; EINECS 212-574-1; AL 304; Glaucostat (TN); aceclidine,R(-); aceclidine,S(+); Spectrum_001338; 3-Quinuclidinol, acetate; Aceclidine (USAN/INN); Spectrum2_001235; Spectrum3_001446; Spectrum4_000421; Spectrum5_001301; (RS)-3-acetoxyquinuclidine; DSSTox_CID_25658; DSSTox_RID_81035; (+) 3-acetoxy quinuclidine; DSSTox_GSID_45658; BSPBio_002911; KBioGR_000742; KBioSS_001818; (RS) 3-acetoxy quinuclidine; DivK1c_000180; SCHEMBL121393; SPBio_001110; DTXSID2045658; CHEBI:93847; KBio1_000180; KBio2_001818; KBio2_004386; KBio2_006954; KBio3_002411; NINDS_000180; HMS3264B20; Pharmakon1600-01501124; acetic acid quinuclidin-3-yl ester; CS-B0278; Tox21_110921; 2787AC; BDBM50034625; NSC758239; STL430459; AKOS006281409; ACN-052914; CCG-212926; DB13262; DS-5025; MCULE-4689367855; 1-Azabicyclo[2.2.2]oct-3-yl acetate; IDI1_000180; 3-quinuclidinol dl-form acetate (ester); NCGC00024733-03; NCGC00024733-04; CAS-827-61-2; HY-32067; NCI60_020173; NCI60_020184; SY111901; 1-Azabicyclo[2.2.2]oct-3-yl acetate #; FT-0607358; D02750; AB00053601_02; AB00053601_03; 827A612; A840430; Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester; acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester; L023942; Q2362603; BRD-A32673558-001-01-7; BRD-A32673558-003-02-1; BRD-A80567352-003-01-6; Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(aceclidine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657843	.	.	.	.	169.22	C9H15NO2	29.5	185	0.7	12	0	3	2	"InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3"	CC(=O)OC1CN2CCC1CC2	WRJPSSPFHGNBMG-UHFFFAOYSA-N
DG50036	"3,6-Diamino-10-methylacridinium"	2016	"3,6-Diamino-10-methylacridinium; 837-73-0; acriflavinium; 3,6-Diamino-10-methylacridine; 10-methylacridin-10-ium-3,6-diamine; Acriflavon; Neutroflavine; Xanthacridine; Flavine; Panflavin; CHEBI:60585; AB00053810_11; MLS002207307; NSC2755; SMR001306812; BRN 3553796; ACRIDINIUM, 3,6-DIAMINO-10-METHYL-; Spectrum_000752; Spectrum2_000066; Spectrum3_000598; Spectrum4_000385; Spectrum5_001306; 3,6-DIAMINO-10-METHYLACRIDIN-10-IUM; cid_2016; BSPBio_002076; KBioGR_000909; KBioSS_001232; 5-22-11-00323 (Beilstein Handbook Reference); DivK1c_000244; SCHEMBL278580; SPBio_000251; CHEMBL1184529; KBio1_000244; KBio2_001232; KBio2_003800; KBio2_006368; KBio3_001576; XSIOKTWDEOJMGG-UHFFFAOYSA-; DTXSID30232534; cid_15558347; NINDS_000244; BDBM114204; BDBM200233; ZINC3775641; MCULE-1232748587; IDI1_000244; NCGC00178831-01; 10-methyl-3,6-diaminoacridinium chloride; SBI-0051559.P002; 10-methylacridin-10-ium-3,6-diamine chloride; Q27128060; (6-amino-10-methyl-acridin-10-ium-3-yl)amine;chloride;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2755	.	.	.	.	224.28	C14H14N3+	55.9	255	2.3	17	2	2	0	"InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N	XSIOKTWDEOJMGG-UHFFFAOYSA-O
DG50037	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester"	2064	"140674-76-6; ag957; Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester; Tyrphostin AG957; methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate; AG 957; MLS002701581; NSC654705; SMR001565182; Methyl 4-((2,5-dihydroxybenzyl)amino)benzoate; Methyl 4-{[(2,5-dihydroxyphenyl)methyl]amino}benzoate; 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester; NCIMech_000518; cid_2064; SCHEMBL5794016; CHEMBL1721939; BDBM80751; CHEBI:92645; DTXSID70274352; ZINC1634412; AG-957; CCG-35974; CCG-36396; HSCI1_000164; AKOS024256541; NSC-654705; AS-72165; NCI60_018914; HY-117718; CS-0067002; methyl 4-(2,5-dihydroxybenzylamino)benzoate; J-007416; BRD-K36737713-001-01-6; Q27164356; 4-[(2,5-dihydroxybenzyl)amino]benzoic acid methyl ester; methyl 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzoate; Benzoic acid,5-dihydroxyphenyl)methyl]amino]-, methyl ester; Benzoic acid,4-[[(2,5-dihydroxyphenyl)methyl]amino]-,methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654705	.	.	.	.	273.28	C15H15NO4	78.8	315	2.5	20	3	5	5	"InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3"	COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O	QSFREBZMBNRGOK-UHFFFAOYSA-N
DG50039	Ametantrone	2134	"Ametantrone; 64862-96-0; NSC-196473; Ametantrone(NSC 196473); UNII-PNT6041ST1; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthracene-9,10-dione; PNT6041ST1; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; NSC 287513; NSC196473; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione; 9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; NSC 196473; NSC 290813; Ametantrone [INN]; Ametantrona; Ametantronum; 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; Ametantronum [INN-Latin]; Ametantrona [INN-Spanish]; CI-881; BRN 2791800; ametantrone diacetate; Anthracenedione deriv.; 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthraquinone; 1,4-Bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 9,10-Anthracenedione,1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; NSC 196473;Ametantrone; CHEMBL49442; SCHEMBL3344151; DTXSID60215153; EX-A368; CI881; Anthraquinone, 1,4-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-; BCP09323; ZINC3871513; BDBM50520631; MFCD00723741; AKOS028108437; AS-49556; HY-13550; QC-11442; CS-0007147; I11677; Q27286653; 9, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-; 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione; 1,4-Bis[[2-[(2-hydroxyethyl)amino]ethyl]imino]-1,4-dihydroanthracene-9,10-diol; 9,10-Anthracenedione, 1,4-bis((2-(2-(hydroxyethyl)amino)ethyl)amino)- (9CI); AKE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196473	.	.	.	.	412.5	C22H28N4O4	123	513	1.7	30	6	8	12	"InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO	FFGSXKJJVBXWCY-UHFFFAOYSA-N
DG50040	Aminopterine	2154	"54-62-6; Pteramina; Aminopterine; 4-Aminofolic acid; APGA; 2-(4-((2,4-DIAMINOPTERIDIN-6-YL)METHYLAMINO)-BENZAMIDO)PENTANEDIOIC ACID; 4-Amino-4-deoxypteroylglutamate; Folic acid, 4-amino-; N-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic acid; 4-Aminopteroyl-glutamic acid; 1236566-87-2; Aminofolic acid, 4-; Aminopterin dihydrate; SR-01000075636; NSC739; 4-Aminofolate; C19H20N8O5; NCGC00015038-03; 4-Aminopteroylglutamate; Spectrum_001874; SpecPlus_000899; Spectrum2_000893; Spectrum3_001386; Spectrum4_000917; Spectrum5_000931; A 1784; SCHEMBL8887; Lopac0_000034; BSPBio_002972; KBioGR_001414; KBioSS_002396; MLS002153337; DivK1c_006995; SPECTRUM1500679; SPBio_000706; CHEMBL274619; SCHEMBL8161477; KBio1_001939; KBio2_002391; KBio2_004959; KBio2_007527; KBio3_002192; DTXSID10858993; HMS1921C08; HMS3260G09; Pharmakon1600-01500679; Tox21_500034; CCG-39745; NSC757427; STL477234; AKOS015854984; LP00034; NSC-757427; SB17355; SDCCGSBI-0050023.P004; NCGC00015038-02; NCGC00015038-04; NCGC00015038-05; NCGC00015038-06; NCGC00015038-07; NCGC00015038-08; NCGC00015038-09; NCGC00015038-10; NCGC00015038-12; NCGC00093553-01; NCGC00093553-02; NCGC00093553-03; NCGC00093553-04; NCGC00093553-05; NCGC00093553-06; NCGC00260719-01; AS-75721; SMR001230749; SBI-0050023.P003; DB-052619; EU-0100034; FT-0622297; Z3082; AB00053283_04; SR-01000075636-1; SR-01000075636-5; WLN: T66 BN DN GN JNJ CZ EZ H1MR DVMYVQ2VQ; L-Glutamic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-,; Glutamic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-; L-N-[p-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-Glutamic acid; 2-[[4-[[(2,4-Diaminopteridine-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	739	.	.	.	.	440.4	C19H20N8O5	219	674	-2	32	6	12	9	"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)"	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N	TVZGACDUOSZQKY-UHFFFAOYSA-N
DG50042	Aristolochic acid	2236	"Aristolochic acid; Aristolochic acid A; 313-67-7; Aristolochic acid I; Aristolochin; Tardolyt; Aristolochic acid-I; ARISTOLOCHINE; TR 1736; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; C17H11NO7; NSC11926; NSC-50413; UNII-94218WFP5T; NSC50413; Birthwort; 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid; 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid; 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid; CHEMBL93353; MLS002702976; CHEBI:2825; Aristolochic acid I;TR 1736; 94218WFP5T; Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; MFCD00004996; 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; Aristolochiazaeure; 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid; 8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID; SMR001562128; Aristolochic acid 1; CCRIS 1544; SR-05000002369; EINECS 206-238-3; NSC 11926; NSC 50413; BRN 0345159; Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-; aris-tolochic acid; Aristolochic-acid-A; Spectrum_001156; SpecPlus_000448; 8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure; Spectrum2_000822; Spectrum3_001114; Spectrum4_001952; Spectrum5_000729; Aristolochic acid A,(S); ZINC52; NCIMech_000812; Aristolochic acid I, powder; BSPBio_001440; BSPBio_002848; KBioGR_000160; KBioGR_002387; KBioSS_000160; KBioSS_001636; MLS002695974; DivK1c_006544; SCHEMBL166284; SPECTRUM1502233; SPBio_000743; DTXSID0040969; KBio1_001488; KBio2_000160; KBio2_001636; KBio2_002728; KBio2_004204; KBio2_005296; KBio2_006772; KBio3_000319; KBio3_000320; KBio3_002068; Bio1_000418; Bio1_000907; Bio1_001396; Bio2_000160; Bio2_000640; HMS1361H22; HMS1791H22; HMS1989H22; HMS3402H22; HY-N0510; TNP00273; 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid; BDBM50306855; CCG-35796; CCG-36162; NSC-11926; s9193; AKOS015896751; MCULE-3861334509; IDI1_033910; NCGC00017334-01; NCGC00017334-02; NCGC00017334-03; NCGC00017334-04; NCGC00017334-05; NCGC00017334-06; NCGC00017334-07; NCGC00095981-01; NCGC00095981-02; NCGC00095981-03; NCGC00095981-04; NCGC00095981-05; AC-34489; BS-16911; NCI60_000460; XA167153; DB-048017; CS-0009050; FT-0602867; N2032; X1086; C08469; 313A677; Q-100394; SR-05000002369-2; SR-05000002369-3; Q21099362; Aristolochia, European Pharmacopoeia (EP) Reference Standard; 8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #; Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro-; GOQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11926	.	.	.	.	341.27	C17H11NO7	111	550	3.6	25	1	7	2	"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)"	COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O	BBFQZRXNYIEMAW-UHFFFAOYSA-N
DG50043	"3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one"	2240	"63968-64-9; Artemisinine; GNF-PF-5671; (+)-Arteannuin; SR-01000783029; TNP00107; NSC369397; NSC-369397; 3,6,9-trimethyloctahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one; MLS001195096; CHEMBL345083; SCHEMBL8011257; HMS1607A03; HMS2864N18; AKOS001483011; MCULE-8507299188; NCGC00017227-02; NCGC00142461-01; SMR000554414; SY057423; FT-0602875; FT-0662295; FT-0662296; SR-01000783029-3; SR-01000783029-5; 1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one; 11,14,15,16-Tetraoxatetracyclo[10.3.1.0(4,13).0(8,13)]hexadecan-10-one, 1,5,9-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369397	.	.	.	.	282.33	C15H22O5	54	452	2.8	20	0	5	0	"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3"	CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C	BLUAFEHZUWYNDE-UHFFFAOYSA-N
DG50045	beta-Amanitin	2276	"BETA-AMANITIN; 21150-22-1; 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid; .beta.-Amanitin; SCHEMBL3505949; CHEMBL1978871; NSC627727; NSC-627727; NCI60_008881; J-013881; beta-Amanitin from Amanita phalloides, ~90% (HPLC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627727	.	.	.	.	920	C39H53N9O15S	394	1840	-3.8	64	13	16	7	"InChI=1S/C39H53N9O15S/c1-4-16(2)31-36(60)41-11-28(53)42-25-15-64(63)38-21(20-6-5-18(50)7-22(20)45-38)9-23(33(57)40-12-29(54)46-31)43-37(61)32(17(3)27(52)14-49)47-35(59)26-8-19(51)13-48(26)39(62)24(10-30(55)56)44-34(25)58/h5-7,16-17,19,23-27,31-32,45,49-52H,4,8-15H2,1-3H3,(H,40,57)(H,41,60)(H,42,53)(H,43,61)(H,44,58)(H,46,54)(H,47,59)(H,55,56)"	CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O	IEQCUEXVAPAFMQ-UHFFFAOYSA-N
DG50046	Benzethonium	2335	"benzethonium; Sanizol; UNII-1VU15B70BP; 10172-60-8; 1VU15B70BP; 498-77-1; benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium; CHEMBL221753; benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; NSC20200; Benzethonium (parent); NCGC00016373-03; CAS-121-54-0; Benzothonium; Benzethonium ion; BztCl; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium; N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium; Benzethonium cation; Spectrum_000072; benzethonium hydrochloride; Prestwick0_000708; Prestwick1_000708; Prestwick2_000708; Prestwick3_000708; Spectrum2_000134; Spectrum3_000313; Spectrum4_000248; Spectrum5_000858; cid_8478; BSPBio_000895; BSPBio_001906; KBioGR_000656; KBioSS_000472; DivK1c_000775; SCHEMBL122985; SPBio_000208; SPBio_002816; BPBio1_000985; CHEMBL1182210; DTXSID5046984; CHEBI:94725; KBio1_000775; KBio2_000472; KBio2_003040; KBio2_005608; KBio3_001406; NINDS_000775; ZINC1571009; BDBM50203812; STL256857; AKOS022098568; DB11125; MCULE-7555832890; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-; Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium; IDI1_000775; QTL1_000012; NCGC00016373-01; NCGC00016373-02; NCGC00016373-04; NCGC00016373-05; NCGC00016373-07; NCGC00016373-09; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl); NCI60_001693; SBI-0051292.P003; AB00053793; Benzethonium hydroxide solution 1M in methanol; A19421; AB00053793_12; AB00053793_13; BRD-K72723676-003-10-3; Q27166518; 2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20200	.	.	.	.	412.6	C27H42NO2+	18.5	466	6.7	30	0	2	12	"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2	SIYLLGKDQZGJHK-UHFFFAOYSA-N
DG50048	Benzyl isothiocyanate	2346	"benzyl isothiocyanate; 622-78-6; Benzylisothiocyanate; (Isothiocyanatomethyl)benzene; Benzyl mustard oil; Benzylsenfoel; Tromacaps; Tromalyt; Urogran; Benzene, (isothiocyanatomethyl)-; Benzyl-isothiocyanate; Isothiocyanic acid, benzyl ester; isothiocyanatomethylbenzene; Isothiocyanic Acid Benzyl Ester; BITC; Benzylsenfoel [German]; AB 2 (VAN); alpha-isothiocyanatotoluene; Isothiocyanotaomethylbenzene; isothiocyanatomethyl-benzene; UNII-871J6YOR8Q; NSC 118976; MFCD00004819; (isothiocyanatomethyl)-benzene; CHEMBL55285; 871J6YOR8Q; AB 2; CHEBI:17484; Toluene, .alpha.-isothiocyanato-; NSC118976; Benzylsenfoel (german); PMITC cpd; Toluene, alpha-isothiocyanato-; CCRIS 3145; SR-05000002381; EINECS 210-753-9; phenylmethyl isothiocyanate; BRN 0386135; Tromocaps; AI3-02736; Benzyl isothio cyanate; Spectrum_001820; SpecPlus_000684; Tromalyt active substance; DSSTox_CID_155; Spectrum2_000852; Spectrum3_000793; Spectrum4_001059; Spectrum5_001837; WLN: SCN1R; NCIMech_000859; alpha-Isothiocyanato-Toluene; Benzyl Isothiocyanate-[d7]; isothiocyanato-methyl-benzene; Benzyl isothiocyanate, 98%; DSSTox_RID_75407; DSSTox_GSID_20155; SCHEMBL44145; BSPBio_002526; KBioGR_001358; KBioSS_002323; 4-12-00-02276 (Beilstein Handbook Reference); DivK1c_006780; SPECTRUM1503006; SPBio_000863; (Isothiocyanatomethyl)benzene #; 1-(isothiocyanatomethyl)benzene; BITC, 17; Toluene, alpha -isothiocyanato-; DTXSID0020155; FEMA 4428; KBio1_001724; KBio2_002321; KBio2_004889; KBio2_007457; KBio3_001746; TIMTEC-BB SBB002731; AKOS JY2090023; Benzyl isothiocyanate, 98%, FG; OTAVA-BB 1055640; HMS1921P18; Pharmakon1600-01503006; (Isothiocyanatomethyl)benzene, 9CI; ZINC1529592; AKOS BBS-00004442; Tox21_201191; BBL013129; BDBM50240520; CCG-35868; NSC758206; s4783; STK399787; AKOS000212138; AS04379; LS11773; MCULE-5989558191; NSC-118976; NSC-758206; SDCCGMLS-0066697.P001; QTL1_000013; NCGC00094982-01; NCGC00094982-02; NCGC00094982-03; NCGC00094982-04; NCGC00258743-01; Benzyl isothiocyanate, analytical standard; BP-12924; CAS-622-78-6; HY-77813; NCI60_000455; PS-10308; SBI-0052749.P002; DB-022613; CS-0006958; FT-0622167; I0224; C03098; F16583; AB00053249_03; A833692; J-650076; SR-05000002381-1; SR-05000002381-2; Q18341725; F0001-1663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118976	.	.	.	.	149.21	C8H7NS	44.4	132	3.2	10	0	2	2	"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2"	C1=CC=C(C=C1)CN=C=S	MDKCFLQDBWCQCV-UHFFFAOYSA-N
DG50049	Betnesol	2367	"Betnesol; Linolosal; Linosal; Celestone Phosphate; NSC90616; .beta.-Methasonephosphate; CHEMBL2008531; 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate; [2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] dihydrogen phosphate; NCI60_042010; FT-0666306; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, sodium salt (1:2), (11.beta.,16.alpha.)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-,disodium salt, (11.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90616	.	.	.	.	472.4	C22H30FO8P	141	973	0.1	32	4	9	4	"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C	VQODGRNSFPNSQE-UHFFFAOYSA-N
DG50050	Bisacodyl	2391	"bisacodyl; 603-50-9; Dulcolax; Brocalax; Bicol; Durolax; Fenilaxan; Sanvacual; Dulcolan; Endokolat; Hillcolax; Stadalax; Theralax; Eulaxan; Godalax; Ivilax; Laxadin; Laxans; Laxine; Laxorex; Neolax; Nigalax; Pyrilax; Telemin; Zetrax; Sk-bisacodyl; Laxanin N; LACO; LA96a; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester); (Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Evac-Q-Tabs; Bis(p-acetoxyphenyl)-2-pyridylmethane; Di-(p-acetoxyphenyl)-2-pyridylmethane; Di-(4-acetoxyphenyl)-2-pyridylmethane; MLS000069729; UNII-10X0709Y6I; 2-(4,4'-Diacetoxydiphenylmethyl)pyridine; (4,4'-Diacetoxydiphenyl)(2-pyridyl)methane; 4,4'-(2-Pyridylmethylene)diphenol diacetate; [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate; 4,4'-(2-Pyridylmethylene)diphenol diacetate (ester); 4,4'-Diacetoxydiphenylpyridyl-2-methane; SMR000058226; MLS002701749; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester); Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate; Ulcolax; MFCD00038039; NSC614826; 10X0709Y6I; NSC-755914; NCGC00016522-05; NCGC00016522-10; 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate; CAS-603-50-9; Deficol; DSSTox_CID_2681; DSSTox_RID_76689; DSSTox_GSID_22681; Bisacodilo; Bisacodylum; HalfLytely; Bisacodylum [INN-Latin]; Bisacodilo [INN-Spanish]; HSDB 3016; (pyridin-2-ylmethylene)di-4,1-phenylene diacetate; SR-01000000233; EINECS 210-044-4; BRN 0323727; 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate; Horton; CCRIS 8864; Bisacodyl [USP:INN:BAN:JAN]; Bisacodyl,(S); Dulcolax (TN); Prestwick_780; Feen-a-Mint Tablets; Spectrum_000086; HalfLytely (Salt/Mix); Opera_ID_884; Prestwick0_000419; Prestwick1_000419; Prestwick2_000419; Prestwick3_000419; Spectrum2_000149; Spectrum3_000318; Spectrum4_000256; Spectrum5_000898; 4,4'-(2-pyridylmethylene)bisphenol diacetate; CHEMBL942; Correctol Tablets, Caplets; NCIChal_000004; NCIMech_000456; cid_2391; REGID_for_CID_2391; SCHEMBL21044; BSPBio_000378; BSPBio_001916; KBioGR_000692; KBioSS_000506; DivK1c_000347; SPECTRUM1500147; SPBio_000258; SPBio_002317; Bisacodyl (JP17/USP/INN); BPBio1_000416; CHEBI:3125; DTXSID1022681; BDBM61400; HMS501B09; KBio1_000347; KBio2_000506; KBio2_003074; KBio2_005642; KBio3_001416; NINDS_000347; HMS1569C20; HMS1920G21; HMS2090K15; HMS2091O03; HMS2096C20; HMS2235I11; HMS3373L17; HMS3652E04; HMS3713C20; Pharmakon1600-01500147; BCP18567; HY-B0557; ZINC3830321; Tox21_110472; Tox21_200338; CCG-35661; CCG-36442; NSC755914; s4047; STK293202; AKOS001599884; Tox21_110472_1; DB09020; MCULE-8607347748; NSC 755914; NSC-614826; IDI1_000347; 4,4'-Diacetoxydiphenylpyrid-2-ylmethane; Bisacodyl 100 microg/mL in Acetonitrile; Bisacodyl, active ingredient of Viraplex; NCGC00016522-01; NCGC00016522-02; NCGC00016522-03; NCGC00016522-04; NCGC00016522-06; NCGC00016522-07; NCGC00016522-08; NCGC00016522-09; NCGC00016522-11; NCGC00016522-12; NCGC00023260-03; NCGC00023260-04; NCGC00023260-05; NCGC00023260-06; NCGC00257892-01; AC-24284; AS-15820; NCI60_004954; SBI-0051297.P003; 4,4-(2-Pyridylmethylene)diphenol diacetate; AB00051928; B1898; B5066; FT-0603486; SW196918-3; A14914; D00245; D81813; AB00051928-17; AB00051928_18; AB00051928_19; Bisacodyl, analytical standard, for drug analysis; A832704; Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate; Q417874; Q-200726; Q-200727; SR-01000000233-2; SR-01000000233-3; (pyridin-2-ylmethanediyl)dibenzene-4,1-diyl diacetate; BRD-K39987650-001-05-0; BRD-K39987650-001-15-9; Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate; Phenol,4'-(2-pyridinylmethylene)bis-, diacetate (ester); 4-[[4-(acetyloxy)phenyl](2-pyridyl)methyl]phenyl acetate; Bisacodyl, European Pharmacopoeia (EP) Reference Standard; 4-[[4-(Acetyloxy)phenyl](2-pyridinyl)methyl]phenyl acetate #; Bisacodyl, United States Pharmacopeia (USP) Reference Standard; [4-[(4-acetoxyphenyl)-(2-pyridyl)methyl]phenyl] acetate;Bisacodyl; Bisacodyl for peak identification, European Pharmacopoeia (EP) Reference Standard; Bisacodyl for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614826	.	.	.	.	361.4	C22H19NO4	65.5	457	3.8	27	0	5	7	"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3"	CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3	KHOITXIGCFIULA-UHFFFAOYSA-N
DG50051	Pibenzimol	2392	"Pibenzimol; HOECHST 33258; Bisbenzimidazole; 23491-44-3; Hoe-33258; Bis-Benzimide; UNII-LHQ7J5KV9B; CHEBI:52082; Phenol, 4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]-; LHQ7J5KV9B; 4-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol; p-(5-(5-(4-Methyl-1-piperazinyl)-2-benzimidazolyl)-2-benzimidazolyl)phenol; bisBenzimide H 33258;H 33258; NSC322921; Phenol, 4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)-; 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol; Hoechst33258; 4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]phenol; 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE; Phenol, p-(5-(5-(4-methyl-1-piperazinyl)-2-benzimidazolyl)-2-benzimidazolyl)-; Hoechst 33258 (trihydrochloride); EINECS 245-689-0; Bisbenzimidazol; CCRIS 8389; Phenol, p-[5-[5-(4-methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]-; Bisbenzimide (Salt/Mix); p-(5-(5-(4-Methylpiperazin-1-yl)benzimidazol-2-yl)benzimidazol-2-yl)phenol; NCIStruc1_000146; NCIStruc2_001668; Pibenzimol HCl (Salt/Mix); SCHEMBL74554; KBioGR_002443; KBioSS_002449; Bisbenzimide (trihydrochloride); CHEMBL301735; SCHEMBL5332220; DTXSID3066899; SCHEMBL13856958; SCHEMBL18089342; HOE 33258 (trihydrochloride); KBio2_002443; KBio2_005011; KBio2_007579; KBio3_002921; cMAP_000054; ZINC642589; BDBM50498270; CCG-37532; NCGC00014751; NCI322921; ZINC22912997; AKOS024285175; CS-1301; MCULE-3809430132; PHENOL,4-[5-(4-METHYL-1-PIPERAZINYL)[2,5'-BI-1H-BENZIMIDAZOL]-2'-YL]-; NCGC00014751-02; NCGC00097852-01; HY-15558; LS-15104; NCI60_002801; DB-046162; Bisbenzimidazole trihydrochloride (Salt/Mix); FT-0638328; Bisbenzimide H 33342 trihydrochloride, 98%; Q27123162; 2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1h-benzimidazole; 4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol; 2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)benzimidazole; 4-(5-(4-Methylpiperazin-1-yl)-1H,1'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenol; 4-(5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzo[d]imidazol-2'-yl)phenol; 4-[5-(4-Methyl-1-piperazinyl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]phenol trihydrochloride; 4-[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol; p-(5-(5-(4-Methyl-1-piperazinyl)-1H-2-benzimidazolyl)-1H-2-benzimidazolyl)phenol; para-(5-(5-(4-Methyl-1-Piperazinyl)-2-Benzoimidazolyl)-2-Benzoimidazolyl)Phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322921	.	.	.	.	424.5	C25H24N6O	84.1	634	4	32	3	5	3	"InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)"	CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O	INAAIJLSXJJHOZ-UHFFFAOYSA-N
DG50052	Cyclic dibutyryl AMP	2460	"Cyclic dibutyryl AMP; AMP N6-2'-O-dibutyrate; N6,O2'-Dibutyryl cyclic AMP; N6,2'-O-Dibutyryl cyclic AMP; 362-74-3; Dibutyryl-3',5'-adenosine monophosphate; Dibutyryl adenosine cyclic 3',5'-monophosphate; N6,O2'-Dibutyryl cyclic adenosine monophosphate; NSC-143108; NCGC00021144-02; N6,5'-phosphate; N6,5'-monophosphate; N6,5'-cyclic AMP; N6,5'-monophosphoric acid; N6,5'-cyclic monophosphate; N6,5'-(hydrogen phosphate); SCHEMBL163105; 3',5'-Dibutyryl cyclic AMP; Dibutyryl cyclic 3',5'-AMP; N6,5'-adenosine monophosphate; CHEMBL1371908; CHEBI:91494; N6,5'-AMP; BCP10476; NSC143108; N6,5'-cyclic adenosine monophosphate; AKOS015896463; NCGC00021144-03; NCGC00094988-01; NCGC00094988-02; NCI60_000948; FT-0629734; FT-0654177; Dibutyryl 3',5'-cyclic adenosine monophosphate; BRD-A04706586-236-01-7; Q27163331; Butyramide, 2'-butyrate cyclic 3',5'-(hydrogen phosphate); Butyramide, cyclic 3',5'-(hydrogen phosphate) 2'-butyrate; Bucladesine;3',5'-Cyclic AMP dibutyrate;Cyclic AMP dibutyrate;Dibutyryl 3',5'-Cyclic AMP; butanoic acid [2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143108	.	.	.	.	469.4	C18H24N5O8P	164	759	-0.5	32	2	11	8	"InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)"	CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC	CJGYSWNGNKCJSB-UHFFFAOYSA-N
DG50053	(+)-Camptothecin	2538	"31456-25-4; (+)-Camptothecin; (+/-)Campathecin; CHEMBL276820; NSC302991; 19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; 4-ETHYL-4-HYDROXY-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14-DIONE; (+/-)-Camptothecine;20(RS)-Camptothecin;dl-Camptothecin; 4-ETHYL-4-HYDROXY-3,4,12,14-TETRAHYDRO-1H-PYRANO[3'4'; Topotecan Related Compound C; TNP00113; 4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (+/-)-Camptothecin; (.+-.)-Camptothecin; Camptothecine, (+-)-; Maybridge1_007381; Neuro_000041; CAMPTOTHECIN (+)-; Oprea1_815005; SCHEMBL2298909; (R)-(-)-Camptothecin-[d5]; (S)-(+)-Camptothecin-[d5]; CHEBI:91620; HMS562H11; DTXSID30274373; HMS3267I18; (S)-4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE; LSM-1442; BDBM50045363; MFCD00058538; AKOS015895425; BCP9000476; MCULE-8069978843; NSC-302991; SMP2_000016; NCI60_002559; FT-0618395; FT-0623436; FT-0664215; Camptothecin, Camptotheca acuminata - CAS 2114454; BRD-A30437061-001-01-9; BRD-A30437061-001-04-3; Q27163449; 4-Ethyl-4-hydroxy-1H,12H-6,12a-diaza-2-oxa-13H-dibenzo[b,h]fluorene-3,13(4H)-dione; 4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinolin-3,14(4H,12H)-dione; (20R)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; (20RS)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-, (+-)-; 4-Ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, AldrichCPR; 4-ethyl-4-hydroxy-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione; 4-ethyl-4-hydroxy-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302991	.	.	.	.	348.4	C20H16N2O4	79.7	742	1	26	1	5	1	"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O	VSJKWCGYPAHWDS-UHFFFAOYSA-N
DG50054	Carboquone	2569	"carboquone; Esquinon; Carbazilquinone; 24279-91-2; Carbazilequinone; Carbaziloquinone; MLS002703012; NSC134679; Carboquona; Carboquonum; Carboquone [INN:JAN]; Carboquonum [INN-Latin]; Carboquona [INN-Spanish]; 2-(2,5-di(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-methoxyethyl carbamate; CCRIS 2748; CS 310; NSC 134679; BRN 1400765; NCGC00181140-01; Esquinon (TN); 2, carbamate ester; Carboquone (JAN/INN); SCHEMBL8079; 2,5-Bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-p-benzoquinone carbamate (ester); DSSTox_CID_26870; DSSTox_RID_81977; DSSTox_GSID_46870; 2-(2-((Aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-2,5-cyclohexadiene-1,4-dione; 5-20-01-00076 (Beilstein Handbook Reference); p-Benzoquinone, 2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester); CHEMBL443014; DTXSID8046870; CHEBI:31356; Tox21_112746; DB13677; NSC-134679; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate; 2,5-Cyclohexadiene-1,4-dione, 2-(2-((aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-; NCI60_000771; SMR001566820; CAS-24279-91-2; D01270; Q5038065; 2,4-dione, 2,5-bis(1-aziridinyl)-6 (2-hydroxy-1-methoxyethyl)-3-methyl-, carbamate; 2,4-dione, 2-[2-[(aminocarbonyl)oxy]-1-methoxyethyl]-3,6-bis(1-aziridinyl)-5-methyl-; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-2-methoxy-ethyl] carbamate; 2,5-Bis(1-aziridinyl)-3-(2-hydroxy-1- methoxyethyl)-6-methyl-1,4-benzoquinone, carbamate (ester); p-Benzoquinone,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6-methyl-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134679	.	.	.	.	321.33	C15H19N3O5	102	644	-0.2	23	1	7	7	"InChI=1S/C15H19N3O5/c1-8-11(17-3-4-17)14(20)10(9(22-2)7-23-15(16)21)12(13(8)19)18-5-6-18/h9H,3-7H2,1-2H3,(H2,16,21)"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N)OC)N3CC3	SHHKQEUPHAENFK-UHFFFAOYSA-N
DG50055	Carmofur	2577	"carmofur; 61422-45-5; Mifurol; HCFU; 1-Hexylcarbamoyl-5-fluorouracil; UNII-HA82M3RAB2; 1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-; 5-fluoro-N-hexyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamide; HA82M3RAB2; Yamaful; 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide; 5-fluoro-1-(n-hexylcarbamoyl)uracil; NSC-758963; NCGC00095165-01; DSSTox_CID_25941; DSSTox_RID_81239; DSSTox_GSID_45941; Carmofurum; Carmofur [INN:JAN]; C11H16FN3O3; Carmofurum [INN-Latin]; Hexylcarbamoyl fluorouracil; SMR000466363; Mifurol (TN); CAS-61422-45-5; CCRIS 2759; Uracil, 5-fluoro-1-hexylcarbamoyl-; BRN 0888898; Carmofure; Yamafur; HCFU; Mifurol; Carmofur,(S); CPD000466363; Spectrum2_000026; Spectrum3_001960; Carmofur (JP17/INN); 2,4-Dioxo-5-fluoro-N-hexyl-1,2,3,4-tetrahydro-1-pyrimidinecarboxamide; 2,4-Dioxo-5-fluoro-N-hexyl-3,4-dihydro-1(2H)-pyrimidinecarboxamidme; 5-Fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinecarboxamide; 1-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-2,4-dioxo-5-fluoro-N-hexyl-; SCHEMBL8037; BSPBio_003560; 5-24-06-00277 (Beilstein Handbook Reference); MLS000759482; MLS000759483; MLS001423992; SPECTRUM1505317; SPBio_000091; CHEMBL460499; 5-Fluoro-1-hexylcarbamoyluracil; DTXSID2045941; CHEBI:31360; KBio3_002882; HMS1922D08; HMS2051G12; HMS3393G12; HMS3654F13; HMS3712P11; Pharmakon1600-01505317; 5-Fluoro-1-(hexylcarbamoyl)uracil; AMY33448; BCP21373; HY-B0182; ZINC1542916; Tox21_111464; BDBM50431275; CCG-39700; MFCD00866284; NSC758963; s1289; Carmofur, >=98% (HPLC), powder; 1(2H)-Pyrimidinecarboxamide, 3,4-dihydro-2,4-dioxo-5-fluoro-N-hexyl-; AKOS015906778; Tox21_111464_1; CS-2064; DB09010; NC00116; NSC 758963; NCGC00095165-02; NCGC00095165-03; NCGC00095165-04; NCGC00095165-05; NCGC00095165-07; NCGC00095165-16; NCGC00177991-01; AC-12465; BC164286; BS-17210; R923; SBI-0207040.P001; DB-053879; FT-0601619; SW197496-2; C75879; D01784; AB00698319-04; AB00698319_06; AB00698319_07; 422C455; A833212; SR-01000763370; 5-fluoro-N-hexyl-2,4-dioxo-1-pyrimidinecarboxamide; Q5043732; SR-01000763370-3; BRD-K11630072-001-06-6; 5-fluoranyl-N-hexyl-2,4-bis(oxidanylidene)pyrimidine-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758963	.	.	.	.	257.26	C11H16FN3O3	78.5	382	2.6	18	2	4	5	"InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)"	CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F	AOCCBINRVIKJHY-UHFFFAOYSA-N
DG50057	Cercosporin from Cercospora hayii	2674	"CERCOSPORIN; Cercosporin from Cercospora hayii; 35082-49-6; 40501-77-7; NSC234486; 7,19-dihydroxy-5,21-bis(2-hydroxypropyl)-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione; Isocercosporin; iso-Cercosporin; (-)-Isocercosporin; SCHEMBL6305985; CHEMBL1080283; CHEBI:91878; DTXSID00960897; BCP23993; HY-N6743; LSM-1808; BDBM50500847; NSC-234486; SMP2_000207; 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione; NCI60_001893; Perylo(1,12-def)-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-; Perylo[1,12-def]-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer; CS-0086844; dihydroxy-bis(2-hydroxypropyl)-dimethoxy-[ ]dione; J-019862; BRD-A78360835-001-01-1; Q27163675; (+)-Cercosporin pound>>NSC 153111 pound>>NSC-153111 pound>>NSC153111; 6,11-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-2H-perylo[1,12-def][1,3]dioxepine-5,12-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperyleno[1,12-def][1,3]dioxepine-5,11-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione; 6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,11-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234486	.	.	.	.	534.5	C29H26O10	152	988	4	39	4	10	6	"InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3"	CC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)CC(C)O)O	MXLWQNCWIIZUQT-UHFFFAOYSA-N
DG50058	NSC289491	2693	"Chetomin; CHEBI:68741; 1403-36-7; 3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1h-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione; NSC289491; CHEMBL1965934; SCHEMBL17240924; DTXSID20930759; NSC-289491; NCI60_002373; J-007375; Q27137160; 3-(Hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl}-1H-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2'"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289491	.	.	.	.	710.9	C31H30N6O6S4	240	1460	1.9	47	3	11	5	"InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3"	CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO	ZRZWBWPDBOVIGQ-UHFFFAOYSA-N
DG50059	Chlorambucil	2708	"chlorambucil; 305-03-3; Ambochlorin; Chloroambucil; Leukeran; Chloraminophen; Chlorbutin; Chloraminophene; Chlorobutine; Amboclorin; Chlorbutine; Chlorobutin; Ecloril; Chlocambucil; Linfolizin; Linfolysin; Lympholysin; Elcoril; Phenylbutyric acid nitrogen mustard; Leukersan; Leukoran; 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid; Chlorambucilum; Cb l348; NSC-3088; Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-; CB 1348; Phenylbuttersaeure-lost; NSC 3088; Rcra waste number U035; NCI-C03485; 4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid; 4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid; 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid; N,N-Di-2-chloroethyl-gamma-p-aminophenylbutyric acid; CB-1348; 4-(Bis(2-chloroethyl)amino)benzenebutanoic acid; p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid; 4-(p-Bis(beta-chloroethyl)aminophenyl)butyric acid; UNII-18D0SL7309; CHEBI:28830; NSC3088; 4-[Bis(2-chloroethyl)amino]benzenebutyric acid; 4-[Bis(2-chloroethyl)amino]benzenebutanoic acid; CHEMBL515; gamma-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-; MLS000028443; Chloorambucol; Chlorbutinum; Elcorin; 4-(Bis(2-chloroethyl)amino)phenylbutyric acid; 4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid; gamma-(p-Di(2-chloroethyl)aminophenyl)butyric acid; Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-; MFCD00021783; 18D0SL7309; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna; NCGC00015199-08; Clorambucile; Clorambucilo; CAS-305-03-3; SMR000058372; Clorambucile [DCIT]; DSSTox_CID_263; Leukeran tablets; 4-[Bis(2-chloroethyl)amino]phenylbutyric acid; DSSTox_RID_75472; DSSTox_GSID_20263; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid; .gamma.-[p-Di(2-chloroethyl)aminophenyl]butyric acid; Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-; Chlorambucilum [INN-Latin]; Clorambucilo [INN-Spanish]; p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid; CCRIS 126; Phenylbuttersaeure-lost [German]; HSDB 3026; SR-01000000062; LEUKERAN (TN); 4-[4-[Bis(2-chloroethyl)amino]phenyl]butyric Acid; EINECS 206-162-0; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid; .gamma.-[p-bis(2-chloroethyl)aminophenyl]butyric acid; 4-(p-Bis(.beta.-chloroethyl)aminophenyl)butyric acid; 4-[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; RCRA waste no. U035; Butyric acid, 4-(p-[bis(2-chloroethyl)amino]phenyl)-; BRN 0999011; chlorambucilddv; Chlorambucil [USP:INN:BAN]; AI3-26083; p-(N,N-Di-2-chlorethylaminophenyl)butyric acid; para-(Di(2-chloroethyl)aminophenyl)butyric acid; Chlorambucil,(S); gamma-(p-bis(2-chloroethyl)aminophenyl)butyricacid; Butanoic acid, 4-(bis(2-chloroethyl)amino) benzene; gamma-(p-Bis(2-chloroethyl)aminophenyl)butyric acid; phenyl)butanoic acid; p-N,N-Di-(beta-chloroethyl)aminophenyl butyric acid; Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl); para-N,N-Di(beta-chloroethyl)aminophenyl butyric acid; N,N-Di-2-chloroethyl-gamma-para-aminophenyl butyric acid; Opera_ID_51; Spectrum_000118; Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna [Czech]; Prestwick0_001079; Prestwick1_001079; Prestwick2_001079; Prestwick3_001079; Spectrum2_000065; Spectrum3_000336; Spectrum4_000273; Spectrum5_000677; Lopac-C-0253; Epitope ID:139977; SCHEMBL4308; Lopac0_000227; WLN: QV3R DN2G2G; BSPBio_001098; BSPBio_001971; KBioGR_000766; KBioSS_000558; 4-14-00-01715 (Beilstein Handbook Reference); MLS001076130; DivK1c_000688; SPECTRUM1500171; Chlorambucil (JAN/USP/INN); SPBio_000249; SPBio_002999; BPBio1_001208; GTPL7143; ZINC1115; DTXSID7020263; HMS502C10; KBio1_000688; KBio2_000558; KBio2_003126; KBio2_005694; KBio3_001191; NINDS_000688; HMS1571G20; HMS1920M15; HMS2090M19; HMS2091A22; HMS2098G20; HMS2235A04; HMS3259I10; HMS3372O04; HMS3652P08; Pharmakon1600-01500171; 4-(4-(bis(2-chloroethyl)amino); AMY33445; BCP28394; NCI-3088; Tox21_110096; Tox21_201390; Tox21_302996; BDBM50003677; CCG-39872; NSC756674; s4288; AKOS024319346; Tox21_110096_1; Chlorambucil, purum, >=98.0% (T); CS-3118; DB00291; GS-6200; LP00227; MCULE-2575006904; NC00555; NSC-756674; SDCCGSBI-0050215.P005; IDI1_000688; NCGC00015199-01; NCGC00015199-02; NCGC00015199-03; NCGC00015199-04; NCGC00015199-05; NCGC00015199-06; NCGC00015199-07; NCGC00015199-09; NCGC00015199-10; NCGC00015199-11; NCGC00015199-12; NCGC00015199-13; NCGC00015199-14; NCGC00015199-15; NCGC00015199-16; NCGC00015199-17; NCGC00015199-19; NCGC00015199-20; NCGC00023250-00; NCGC00023250-03; NCGC00023250-04; NCGC00023250-05; NCGC00023250-06; NCGC00023250-07; NCGC00023250-08; NCGC00023250-09; NCGC00023250-10; NCGC00256464-01; NCGC00258941-01; BP-24028; HY-13593; NCI60_002639; SBI-0050215.P004; DB-047794; WR-139013; AB00051938; EU-0100227; FT-0617365; SW197258-4; A14252; A18607; C 0253; C06900; D00266; H10484; AB00051938-14; AB00051938-15; AB00051938_16; 305C033; Q415939; 4[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid; Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-; SR-01000000062-2; SR-01000000062-4; SR-01000000062-7; W-106940; .gamma.-(p-bis(2-chloroethyl)aminophenyl)butyricacid; BRD-K29458283-001-04-2; BRD-K29458283-001-05-9; BRD-K29458283-001-17-4; 4-(4-[Bis(2-chloroethyl)amino]phenyl)butanoic acid #; Z1558572529; 4-[4-(N,N-bis(2-chloroethyl)-amino]phenyl)butanoic acid; Chlorambucil, European Pharmacopoeia (EP) Reference Standard; Chlorambucil, United States Pharmacopeia (USP) Reference Standard; Chlorambucil for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3088	.	.	.	.	304.2	C14H19Cl2NO2	40.5	250	1.7	19	1	3	9	"InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)"	C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	JCKYGMPEJWAADB-UHFFFAOYSA-N
DG50060	alpha-Quinidine	2757	"cinchonine; Cinchonan-9-ol; alpha-Quinidine; 485-71-2; 118-10-5; GNF-PF-5411; MLS002637808; NSC5364; quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol; .alpha.-Quinidine; {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol; Cinchonan-9-ol, (8.alpha.,9R)-; a-quinidine; SMR001488502; 2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-; NSC6176; (8.alpha.,9R)-Cinchonan-9-ol; NSC-5364; (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; alpha -quinidine; nchem.180-comp1b; Cinchonan-9-ol,9R)-; MLS006011421; CHEMBL15134; SCHEMBL732494; (+)-Cinchonine; D-Cinchonine; (S)-Quinolin-4-yl[(1S,2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; (8alpha ,9R)-Cinchonan-9-ol; CHEBI:183479; Cinchonan-9-ol, (8alpha 9R)-; HMS3369H22; HMS3372L22; (8a,9R)-Cinchonan-9-ol, 9CI; BCP18343; Cinchonan-9-ol, (8alpha ,9R)-; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol; BBL012269; STL163586; AKOS000118852; AKOS022060412; CCG-245136; MCULE-3323633075; SB40649; NCGC00094864-01; NCGC00094864-02; NCGC00094864-03; NCGC00094864-04; SY010860; SY011344; VS-03255; DB-041389; CS-0267207; FT-0623823; FT-0627743; FT-0658646; FT-0665045; FT-0665046; AB00973495-02; WLN: T66 BNJ EYQ- DT66 A B CNTJ A1U1; F0001-1271; Z256709172; (Quinoline-4-yl)(5-vinyl-1-azabicyclo[2.2.2]octane-2-yl)methanol; 4-QUINOLYL(5-VINYL-1-AZABICYCLO[2.2.2]OCT-2-YL)METHANOL; 1071759-34-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5364	.	.	.	.	294.4	C19H22N2O	36.4	412	2.7	22	1	3	3	"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2"	C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O	KMPWYEUPVWOPIM-UHFFFAOYSA-N
DG50061	Eucalyptol	2758	"Eucalyptol; cineole; 1,8-Cineole; 470-82-6; 1,8-Cineol; Cajeputol; Zineol; 1,8-Epoxy-p-menthane; Eucalyptole; Eucapur; Terpan; 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane; p-Cineole; 1,8-Oxido-p-menthane; Eukalyptol; CINEOL; EUCALYPTUS OIL; Cucalyptol; Soledum; 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-; Eukalyptol [Czech]; Eucalyptol (natural); Zedoary oil; p-Menthane, 1,8-epoxy-; FEMA No. 2465; Cineole (VAN); 8000-48-4; NCI-C56575; UNII-RV6J6604TK; 2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-; NSC 6171; 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane; 2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane; Cineole (Eucalyptol); NSC6171; NSC-6171; 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane; 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane; MFCD00167977; RV6J6604TK; CNL; 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane; CHEBI:27961; NCGC00091666-01; NCGC00091666-04; DSSTox_CID_616; DSSTox_RID_75692; DSSTox_GSID_20616; (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane; Eucalyptol 1000 microg/mL in Methanol; CAS-470-82-6; SMR000471853; CCRIS 3727; HSDB 991; Eucalyptus citriodora oil; Eucalyptol [USAN:USP]; EINECS 207-431-5; Terpane; Cyneol; Eucaly; BIDD:ER0481; AI3-00578; Eucalyptol,(S); Eucalyptol (USP); 1.8-cineole; Eucalyptol, 99%; Eucalyptol, Ph Helv; p-Menthane,8-epoxy-; cineole (1,8-); WLN: T66 A B AOTJ B1 B1 F1; 1,8-Cineol-[d3]; Spectrum2_000221; Spectrum3_000683; Spectrum4_001747; Spectrum5_000704; bmse000523; EC 207-431-5; SCHEMBL19622; SCHEMBL41020; BSPBio_002405; KBioGR_002194; MLS001050089; MLS001066338; DivK1c_000333; SPECTRUM1500294; SPBio_000261; Eucalyptol, analytical standard; CHEMBL485259; GTPL2464; CHEMBL1231862; CHEMBL1397305; DTXSID4020616; SCHEMBL13554591; SCHEMBL17836873; HMS501A15; KBio1_000333; KBio3_001625; NINDS_000333; HMS2271P04; Pharmakon1600-01500294; ZINC967566; HY-N0066; Tox21_111161; Tox21_202090; Tox21_302902; 5750AF; BDBM50459887; CCG-36080; NSC760388; Acylated oxime isatin derivative, 19; AKOS015903223; AKOS016034339; AKOS037514637; Tox21_111161_1; CCG-266254; CS-8146; DB03852; LMPR0102090019; NSC-760388; IDI1_000333; Eucalyptol, tested according to Ph.Eur.; NCGC00091666-02; NCGC00091666-03; NCGC00091666-05; NCGC00095774-01; NCGC00178671-01; NCGC00256479-01; NCGC00259639-01; AC-20234; Eucalyptol, natural, >=99%, FCC, FG; LS-13868; NCI60_005108; 1,3-Trimethyl-2-oxabicyclo[2.2.2]octane; 2-Oxa-1,3-trimethylbicyclo[2.2.2]octane; DB-070775; 2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-; FT-0607033; FT-0626369; 1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane; A15662; C09844; D04115; AB01563262_01; Q161572; SR-01000763816; SR-01000763816-2; W-106080; 1,8-Cineole, primary pharmaceutical reference standard; Cineole, European Pharmacopoeia (EP) Reference Standard; Eucalyptol, certified reference material, TraceCERT(R); F0001-1260; Eucalyptol, United States Pharmacopeia (USP) Reference Standard; Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6171	.	.	.	.	154.25	C10H18O	9.2	164	2.5	11	0	1	0	"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3"	CC1(C2CCC(O1)(CC2)C)C	WEEGYLXZBRQIMU-UHFFFAOYSA-N
DG50062	Clioquinol	2788	"clioquinol; 130-26-7; 5-Chloro-7-iodoquinolin-8-ol; Iodochlorhydroxyquin; Chinoform; Chloroiodoquin; Chloroiodoquine; 5-Chloro-8-hydroxy-7-iodoquinoline; Vioform; Iodochloroxyquinoline; Cliquinol; 5-Chloro-7-iodo-8-quinolinol; Iodochlorohydroxyquinoline; Chlorojodochin; Enteroquinol; Iodochloroquine; Iodochloroxine; Iodoenterol; 7-Iodo-5-chloroxine; Entero-Vioform; Iodochlorhydroxyquinoline; Iodoxyquinoline; Alchloquin; Barquinol; Budoform; Cifoform; Dermaform; Dioquinol; Domeform; Eczecidin; Enteroseptol; Enterozol; Enterseptol; Entrokin; Iodenterol; Lekosept; Mycoquin; Quinambicide; Quinoform; Rheaform; Amebil; Amoenol; Bactol; Emaform; Nioform; Rometin; 5-Chloro-7-iodo-8-hydroxyquinoline; Entero-Bioform; Iodochlorohydroxyquin; Hi-Enterol; Iodochlorhydroxyquinol; Hydriodide-enterol; Quin-O-Creme; Entero-Septol; Enterum locorten; 5-Chloro-7-iodo-quinolin-8-ol; Domeform-HC; 8-Quinolinol, 5-chloro-7-iodo-; 7-Iodo-5-chloro-8-hydroxyquinoline; Clioquinolum; Chloro-8-hydroxyiodoquinoline; Quinoform (antiseptic); Vioform n.n.r.; Quinoline, chloro-8-hydroxyiodo-; 5-Chlor-7-jod-8-hydroxy-chinolin; Rheaform boluses; UNII-7BHQ856EJ5; Chinoformum; Cliochinolum; 7BHQ856EJ5; Enterovalodon; Alioform; Enteritan; Jodchloroxychinolinum; Oralcer; CHEBI:74460; Corque; Cortin; Iodochloroxychinolinum; Cremo-quin; Entero-bio form; Entero-Vioformio; NSC-3531; Ala-Quin; UAD Lotion; MFCD00006787; NCGC00016391-05; Cliochinolo; CAS-130-26-7; Cliochinolo [DCIT]; TG2-36-2; Caswell No. 193; C9H5ClINO; DSSTox_CID_2837; Formtone-HC; DSSTox_RID_76751; PBT-1; DSSTox_GSID_22837; Quinoform (VAN); Clioquinolum [INN-Latin]; loquinol; Vioformio; Hi-eneterol; Iodochlorhydroxyquin Cream; Vioform-Hydrocortisone Mild; 22112-03-4; SMR000058282; Rheaform Boluses (Veterinary); CCRIS 6050; NSC-74938; HSDB 6843; 5-Chlor-7-jod-8-hydroxy-chinolin [German]; SR-01000002987; NSC 3531; EINECS 204-984-4; EPA Pesticide Chemical Code 024001; BRN 0153637; Linolasept; Clioquinol [USP:INN:BAN]; Cloquinol; AI3-16451; Clioquinol (CQ); component of Hyquin; NSC 74938; Nystaform (Salt/Mix); Clioquinol (USP/INN); component of Formtone-HC; component of Heb-Cort V; Prestwick0_000886; Prestwick1_000886; Prestwick2_000886; Prestwick3_000886; Formtone-HC (Salt/Mix); CHEMBL497; EC 204-984-4; cid_2788; SCHEMBL3967; NCIOpen2_009062; Oprea1_438281; BSPBio_000672; BSPBio_002466; 5-21-03-00294 (Beilstein Handbook Reference); ksc-8-192; MLS000069389; MLS002454410; SPECTRUM1505114; SPBio_002891; BPBio1_000740; component of Hyquin (Salt/Mix); DTXSID7022837; BDBM32188; NSC3531; WLN: T66 BNJ GG II JQ; HMS1570B14; HMS1648J07; HMS2093I12; HMS2097B14; HMS2230I20; HMS3372J20; HMS3714B14; KUC105859N; Pharmakon1600-01505114; ALBB-031653; component of Cort-Quin (Salt/Mix); ZINC6409735; Tox21_110416; Tox21_200291; NSC759822; s4601; STK399761; 5-chloro-8-hydroxy-7-iodo-quinoline; component of Heb-Cort V (Salt/Mix); AKOS000120779; Tox21_110416_1; AC-6792; CCG-213339; DB04815; FD10468; MCULE-5389218452; NSC-759822; SMP1_000073; NCGC00016391-01; NCGC00016391-02; NCGC00016391-03; NCGC00016391-04; NCGC00016391-06; NCGC00016391-07; NCGC00016391-08; NCGC00016391-09; NCGC00016391-10; NCGC00016391-13; NCGC00021665-03; NCGC00021665-04; NCGC00021665-05; NCGC00257845-01; S4601 5-Chloro-8-hydroxy-7-iodoquin; AS-14597; BC167259; HY-14603; L813; SBI-0206782.P001; DB-041956; AB00384254; FT-0603209; V2416; 4-stearylamino-phenyl-trimethylam. metilsulf.; A16461; Clioquinol, VETRANAL(TM), analytical standard; component of Vioform-Hydrocortisone (Salt/Mix); D03538; AB00384254_17; 5-Chloro-7-iodo-8-quinolinol, >=95.0% (HPLC); CU-01000000767-2; Q-200875; Q5134338; SR-01000002987-2; SR-01000002987-3; SR-01000002987-4; BRD-K09255212-001-04-2; Z2768770393; Clioquinol, British Pharmacopoeia (BP) Reference Standard; Clioquinol, European Pharmacopoeia (EP) Reference Standard; Clindamycin phosphate, Antibiotic for Culture Media Use Only; Clioquinol, United States Pharmacopeia (USP) Reference Standard; CQL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3531	.	.	.	.	305.5	C9H5ClINO	33.1	193	3.5	13	1	2	0	"InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1	QCDFBFJGMNKBDO-UHFFFAOYSA-N
DG50063	Compactin;ML236B	2854	"Compactin;ML236B; MLS002702124; NSC281245; 84173-29-5; NCIChal_000002; SCHEMBL7721400; CHEMBL1710493; HMS3372K09; HMS3394P07; BRL 2485; BRL-2485; AKOS025149489; NSC-281245; LS-15021; NCI60_002287; SMR001565691; FT-0602328; 2-methylbutanoic acid 1,2,3,7,8,8a-hexa-hydro-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2h-pyran-2-yl)ethyl]-1-naphthalenyl ester; 2-Methylbutyric acid 8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester; 58948-09-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281245	.	.	.	.	390.5	C23H34O5	72.8	637	3.9	28	1	5	7	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3"	CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O	AJLFOPYRIVGYMJ-UHFFFAOYSA-N
DG50064	"2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione"	2876	"59147-84-1; 2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione; 2-(2-hydroxyethylthio)-3-methylnaphthalene-1,4-dione; NSC-672121; 2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthoquinone; CHEMBL92659; 2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone; 2-(2-hydroxyethylsulfanyl)-3-methylnaphthalene-1,4-dione; 2-[(2-Hydroxyethyl)thio]-3-methyl-1,4-naphthalenedione; NSC672121; 2-Hydroxyethylthio-3-methylnaphthoquinone; CPD 5 (pharmaceutical); SCHEMBL2599202; DTXSID50274390; QCR-272; BCP21745; ZINC1856315; 8798AB; BDBM50118676; MFCD11100314; AKOS016011513; NSC 672121; SMP2_000122; AM807678; AS-69105; NCI60_025617; DB-009275; CS-0061155; FT-0712526; I10534; 2-(2-hydroxyethyl)thio-3-methyl-1,4-naphthoquinone; BRD-K55292075-001-01-0; 2-(2-Hydroxy-ethylsulfanyl)-3-methyl-[1,4]naphthoquinone; 2-[(2-HYDROXYETHYL)SULFANYL]-3-METHYLNAPHTHALENE-1,4-DIONE; 2-[(2-hydroxyethyl)sulfanyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	672121	.	.	.	.	248.3	C13H12O3S	79.7	373	1.4	17	1	4	3	"InChI=1S/C13H12O3S/c1-8-11(15)9-4-2-3-5-10(9)12(16)13(8)17-7-6-14/h2-5,14H,6-7H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO	MZIOEPIEDDJOPP-UHFFFAOYSA-N
DG50065	Cyclobenzaprine	2895	"cyclobenzaprine; 303-53-7; Proheptatriene; Proheptatrien; Proeptatriene; Ciclobenzaprina; Fexmid; Lisseril; Cyclobenzaprinum; 10,11-Dehydroamitriptyline; Cyclobenzaprine [INN]; MK 130; Ro 4-1577; UNII-69O5WQQ5TI; Cyclobenzaprine (INN); Flexeril hydrochloride; 3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine; 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; 69O5WQQ5TI; 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-; CHEBI:3996; 5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene; MK-130 HCl; N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine; NSC78206; 1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-; Proeptatriene [Italian]; Cyclobenzaprinum [INN-Latin]; Ciclobenzaprina [INN-Spanish]; (3-Dibenzo[a,d]cyclohepten-5-ylidene-propyl)-dimethyl-amine; 5H-Dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine, N,N-dimethyl-; MK-130 (AS THE BASE); MK-130; NSC169900; NSC173379; EINECS 206-145-8; CAS-6202-23-9; 9715 R.P; 9715 R.P.; 5-(3-Dimetilaminopropiliden)-5H-dibenzo-(a,d)-ciclopentene [Italian]; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine; NCI78206; Amrix (Salt/Mix); Flexeril (Salt/Mix); Cycloflex (Salt/Mix); Spectrum_001535; 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride; N,N-Dimethyl-3-(dibenzo(a,d)cycloheptene-4-ylidene)propylamine; Prestwick0_000445; Prestwick1_000445; Prestwick2_000445; Prestwick3_000445; Spectrum2_001534; Spectrum3_001566; Spectrum4_000162; Spectrum5_001259; Lopac-C-4542; CHEMBL669; NCIStruc1_001572; NCIStruc2_001486; BIDD:PXR0152; Lopac0_000303; Oprea1_534683; SCHEMBL38527; BSPBio_000490; BSPBio_003072; KBioGR_000643; KBioSS_002015; BIDD:GT0485; DivK1c_000047; SPBio_001348; SPBio_002429; BPBio1_000540; GTPL7152; DTXSID0046933; HSDB 8305; KBio1_000047; KBio2_002015; KBio2_004583; KBio2_007151; KBio3_002572; NINDS_000047; BDBM112774; ZINC968263; 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine; BBL035415; CCG-36511; N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-Delta(5,gamma)-propylamine; NCGC00013841; STL416209; AKOS025255657; DB00924; RP 9715; SDCCGSBI-0050291.P005; 5H-DIBENZO(a,d)CYCLOHEPTENE-delta(sup 5),gamma-PROPYLAMINE, N,N-DIMETHYL-; IDI1_000047; MRF-0000742; QTL1_000027; Cyclobenzaprine hydrochloride (Salt/Mix); NCGC00013841-02; NCGC00013841-03; NCGC00013841-04; NCGC00013841-05; NCGC00013841-06; NCGC00013841-08; NCGC00013841-19; NCGC00096951-01; NCGC00162122-01; dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene]propyl})amine; NCI60_041725; SBI-0050291.P003; US8629135, SW-01; DB-047767; AB00514668; FT-0603167; C06931; D07758; AB00053651_07; 303C537; L001021; Q5198674; BRD-K42348709-003-05-7; BRD-K42348709-003-08-1; 5-(3-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; 5-(3-dimethylaminopropylidene)- 5H-dibenzo[a,d]cycloheptene; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta5,gamma-propylamine; 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine #; 3-(dibenzo[[ ],[ ]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine; N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine; 3-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78206	.	.	.	.	275.4	C20H21N	3.2	365	5.2	21	0	1	3	"InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3"	CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31	JURKNVYFZMSNLP-UHFFFAOYSA-N
DG50066	Cycloleucine	2901	"cycloleucine; 1-Aminocyclopentanecarboxylic acid; 52-52-8; 1-Aminocyclopentane-1-carboxylic acid; Cycloleucin; 1-Amino-1-cyclopentanecarboxylic acid; 1-Amino-1-carboxycyclopentane; CYCLO-LEUCINE; 1-Amino-cyclopentanecarboxylic acid; Cyclopentanecarboxylic acid, 1-amino-; NSC 1026; CB 1639; X 201; UNII-0TQU7668EI; 1-Aminocyclopentanecarboxylate; WR 14,997; NSC1026; MFCD00001381; aminocyclopentanecarboxylic acid; 0TQU7668EI; CHEMBL295830; CHEBI:40547; Cycloleucine1-Amino-cyclopentanecarboxylic acid; 1-amino-1-Cyclopentanecarboxylate; 1-amino-1-cyclopentane carboxylic acid; WR 14997; 1-aminocyclopentane-1-carboxylate; 1-ammonio-1-cyclopentanecarboxylate; HSDB 5195; 1-amino cyclopentane carboxylic acid; EINECS 200-144-6; BRN 0636626; A829129; AI3-26442; Cyclopentanecarboxylic acid, 1-amino-, L-; Leucine, Cyclo-; 1-Aminocyclopentane carboxylic acid; Cycloleucine, 97%; (2E)-Decenoyl-ACP; Spectrum_001268; 1y1m; H-NH(1)cPen-OH; AC1OCG3T; Spectrum2_000931; Spectrum3_001514; Spectrum4_000340; Spectrum5_001136; Biomol-NT_000201; NCIMech_000677; WLN: L5TJ AZ AVQ; SCHEMBL8495; BSPBio_003187; KBioGR_000719; KBioSS_001748; 4-14-00-00974 (Beilstein Handbook Reference); DivK1c_000723; SPECTRUM1502128; SPBio_000862; 1-amino-Cyclopentanecarboxylate; BPBio1_001084; ZINC1234; Cyclopentanecarboxylic acid, L-; Acid, aminocyclopentanecarboxylic; DTXSID5024475; HMS502E05; KBio1_000723; KBio2_001748; KBio2_004316; KBio2_006884; KBio3_002687; NILQLFBWTXNUOE-UHFFFAOYSA-; 1 Aminocyclopentanecarboxylic acid; NINDS_000723; HMS1921L08; Acid, 1-aminocyclopentanecarboxylic; ACN-S002879; ACT04362; ALBB-035361; CS-B0093; NSC-1026; 1-amino-cyclopentane carboxylic acid; BBL020454; BDBM50070638; CCG-35835; FD1031; STK133034; ZINC00001234; AKOS000183252; AC-2700; DB04620; LS00115; MCULE-6366286422; IDI1_000723; NCGC00094966-01; NCGC00094966-02; NCGC00094966-03; NCGC00094966-04; NCGC00163268-01; NCGC00178218-01; AC5; AS-11677; HY-30008; NCI60_000070; SY002601; Cycloleucine1-amino-cyclopentanecarboxylate; CYCLOPENTANECARBOXYLIC ACID, L-AMINO; DB-031284; AM20100281; FT-0607341; EN300-39470; C03969; 001C381; Q607775; J-504199; J-802019; F8881-4536; 3DD7E30B-2149-43D9-A44B-7A59D546A28B"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1026	.	.	.	.	129.16	C6H11NO2	63.3	127	-2.6	9	2	3	1	"InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)"	C1CCC(C1)(C(=O)O)N	NILQLFBWTXNUOE-UHFFFAOYSA-N
DG50067	Indibulin	2929	"Indibulin; 204205-90-3; 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide; d-24851; UNII-80K4H2RB8P; ZIO-301; D 24851; 80K4H2RB8P; ZIO 301;D 24851; 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-(pyridin-4-yl)acetamide; 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide; 2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide; Indibulin [USAN:INN]; 1H-Indole-3-acetamide, 1-((4-chlorophenyl)methyl)-alpha-oxo-N-4-pyridinyl-; 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-alpha-oxo-N-4-pyridinyl-; Indibulin (USAN/INN); MLS006011745; CHEMBL49642; SCHEMBL3165856; DTXSID70174368; QCR-111; ZIO 301; AMY21420; BCP33949; EX-A4542; BDBM50510963; MFCD05861105; NSC758489; STK783524; ZINC37866151; AKOS005619980; D 24851ZIO 301; DB06169; MCULE-2626264660; NSC-758489; SB16543; NCGC00160428-01; NCGC00160428-02; BS-16422; HY-13649; SMR004703467; DB-066199; CS-0007536; FT-0745397; S0444; D10013; D82641; A934135; SR-01000883991; J-013299; SR-01000883991-1; Q27269154; 2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-(4-pyridinyl)acetamide; 2-[1-(4-chlorobenzyl)-1h-indol-3-yl]-2-oxo-n-pyridin-4-ylacetamide; ZIO 301;D 24851;ZIO301;D24851;ZIO-301;D-24851; 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-.alpha.-oxo-N-(4-pyridinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758489	.	.	.	.	389.8	C22H16ClN3O2	64	558	3.9	28	1	3	5	"InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)"	C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4	SOLIIYNRSAWTSQ-UHFFFAOYSA-N
DG50068	Cerubidin	2958	"Cerubidin; Daunorubicin mixt. with native calf thymus DNA; 73610-99-8; 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Daunorubicine; Rubomycin C; NSC 82151; Rubomycin; 3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; Daunorubicin mixture with salmon sperm DNA; Daunorubicin semiquinone; Daunomycine; Daunomycin semiquinone radical; Daunorubicin radical ion(1-); NSC-83142; Daunorubicin semiquinone radicals; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with calf thymus cross-linked DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with denatured calf thymus DNA; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-; Starch, sodium salt, polymer with (8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione; Ondena (Salt/Mix); Neuro_000035; Daunorubicin hydrochloride DNA; DR-1; SCHEMBL5941450; CHEMBL3560489; CHEBI:94265; Daunomycin hydrochloride (Salt/Mix); NSC112758; NSC169533; NSC257453; NSC257454; NSC262198; NSC262199; NSC262200; NSC262647; NSC262648; NSC262649; NSC272705; NSC272706; NSC273442; NSC304684; NSC304685; NSC359653; Rubidomycin hydrochloride (Salt/Mix); STK177291; AKOS005410692; NDC-0082-4155 (Salt/Mix); MCULE-6546034726; NSC-112758; NSC-169533; NSC-257453; NSC-257454; NSC-262198; NSC-262199; NSC-262200; NSC-262647; NSC-262648; NSC-262649; NSC-272705; NSC-272706; NSC-273442; NSC-304684; NSC-304685; NSC-359653; SMP2_000297; NCGC00248440-01; NCGC00248440-02; FT-0624457; BRD-A37630846-001-01-4; Q27166065; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, calf thymus DNA complex; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with calf thymus DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with denatured salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with formaldehyde cross-linked salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with salmon sperm DNA; 5, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, salmon sperm DNA complex; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, radical ion(1-), (8S,10S)-; 5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-; 8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S-cis)-5,12-Naphthacenedione; 9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; Nucleic acid, sodium salt, compound with (8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112758	.	.	.	.	527.5	C27H29NO10	186	960	1.8	38	5	11	4	"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O	STQGQHZAVUOBTE-UHFFFAOYSA-N
DG50069	"9,10-Phenanthrenediimine"	2981	"9,10-Phenanthrenediimine; Phenanthrene-9,10-diimine; NSC684322; 5665-52-1; NSC 684322; SCHEMBL3141116; CHEMBL1981091; 9,10-phenanthrenequinone diimine; NSC-684322; NCI60_030272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	684322	.	.	.	.	206.24	C14H10N2	47.7	289	2.7	16	2	2	0	"InChI=1S/C14H10N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,15-16H"	C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N	ASBFNPBREVZDOE-UHFFFAOYSA-N
DG50070	NSC803074	3006	NSC803074; NSC-803074	.	.	Investigative Drug(s)	Investigative	Small molecular drug	803074	.	.	.	.	470.4	C22H28FO8P-2	147	962	-0.1	32	2	9	3	"InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C	VQODGRNSFPNSQE-UHFFFAOYSA-L
DG50071	Dichlorophen	3037	"Dichlorophen; dichlorophene; 97-23-4; 2,2'-Methylenebis(4-chlorophenol); Dichlorofen; Dichlorphen; Didroxane; Anthiphen; Didroxan; Parabis; Trivex; Antiphen; Cordocel; Dicestal; Difentan; Embephen; Panacide; Prevental; Taeniatol; Teniathane; Teniatol; Teniotol; Vermithana; Antifen; Halenol; Hyosan; Korium; Palacel; Dichlorophen B; Phenol, 2,2'-methylenebis[4-chloro-; Dichlorophene 10; Dichloorfeen; Gingivit; Wespuril; Gefir; Fungicide M; DDDM; Plath-Lyse; Fungicide GM; Preventol GD; Preventol GDC; Diphenthane 70; Bis(5-chloro-2-hydroxyphenyl)methane; Sandocide; Super mosstox; Di-phentane-70; Bis(chlorohydroxyphenyl)methane; 2,2'-Dihydroxy-5,5'-dichlorodiphenylmethane; Bis(2-hydroxy-5-chlorophenyl)methane; Giv Gard G 4-40; Di-(5-chloro-2-hydroxyphenyl)methane; Bis-2-hydroxy-5-chlorfenylmethan; Dichlorofen [Czech]; 1322-43-6; Bis(5-chlor-2-hydroxyphenyl)-methan; 5,5'-Dichloro-2,2'-dihydroxydiphenylmethane; Methanedichlorofen; O,O-Metilen-bis(4-cloro-fenolo); UNII-T1J0JOU64O; 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol; G-4 Technical; 4,4'-Dichloro-2,2'-methylenediphenol; G-4 Pure; ((Dihydroxydichloro)diphenyl)methane; 2,2'-Methylenebis-(4-chlorophenol); 2,2'-Methylene-bis (4-chlorophenol); Phenol, 2,2'-methylenebis(4-chloro-; T1J0JOU64O; CHEMBL33845; MLS000069468; G 4; G-4; 2,2/'-METHYLENEBIS(4-CHLOROPHENOL); 4-chloro-2-(5-chloro-2-hydroxybenzyl)phenol; CHEBI:34689; NSC38642; 2,2'-Methylenebis[4-chlorophenol]; O,O-Methyleen-bis-(4-chloorfenol); 2,2'-methanediylbis(4-chlorophenol); Dichlorofen (Czech); MFCD00002322; NSC-38642; NCGC00091325-05; Dichlorophenum; Diclorofeno; SMR000059095; DSSTox_CID_1824; DSSTox_RID_76351; DSSTox_GSID_21824; 2,5'-dichlorodiphenylmethane; 5,2'-dihydroxydiphenylmethane; Sindar G 4; Dichloorfeen [Dutch]; WLN: QR DG B1R BQ EG; Caswell No. 563; 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol; Phenol,2'-methylenebis[4-chloro-; [(Dihydroxydichloro)diphenyl]methane; DDM (VAN); Diclorofeno [INN-Spanish]; CAS-97-23-4; Dichlorophene [INN-French]; Dichlorophene [ISO-French]; Dichlorophenum [INN-Latin]; Dichlorophen [INN:BAN:DCF]; CCRIS 6060; G 4 (VAN); HSDB 6033; Dichlorophen [BSI:ISO]; EINECS 202-567-1; NSC 38642; EPA Pesticide Chemical Code 055001; BRN 1884514; Algafen; Anthipen; Nuophene; Westpuril; Bis-2-hydroxy-5-chlorfenylmethan [Czech]; Fungicide fx; AI3-02370; O,O-Methyleen-bis(4-chloorfenol) [Dutch]; Difent*n; O,O-Metilen-bis(4-cloro-fenolo) [Italian]; Acticide DDM; Bis(5-chlor-2-hydroxyphenyl)-methan [German]; Diphentane 70; o,o-Methyleen-bis(4-chloorfenol); Cuniphen (Salt/Mix); Spectrum_000762; Opera_ID_1730; Spectrum2_001214; Spectrum3_001405; Spectrum4_000390; Spectrum5_001519; SCHEMBL18052; BSPBio_003050; KBioGR_000919; KBioSS_001242; MLS001076530; BIDD:ER0237; DivK1c_000460; SPECTRUM1500626; SPBio_001028; 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)methyl]phenol; DTXSID6021824; Ecco MP 2004 (Salt/Mix); HMS501G22; KBio1_000460; KBio2_001242; KBio2_003810; KBio2_006378; KBio3_002270; ZINC56435; NINDS_000460; HMS1921M03; HMS2230H06; HMS3373O17; KUC106446N; KUC112931N; Pharmakon1600-01500626; NSC39467; Tox21_111112; Tox21_201429; Tox21_303013; BDBM50303912; CCG-39772; NSC-39467; NSC757391; s5724; 2,2''-methylenebis(4-chlorophenol); AKOS015917706; bis(2-hydroxy-5-chlorophenyl)-methane; Tox21_111112_1; 2,2'-Methylene-bis(4-chloro-phenol); CS-3867; DB11396; KSC-19-050; MCULE-2962145672; NSC-757391; bis-(5-chloro-2-hydroxyphenyl)-methane; IDI1_000460; QTL1_000030; NCGC00091325-01; NCGC00091325-03; NCGC00091325-04; NCGC00091325-06; NCGC00091325-07; NCGC00091325-09; NCGC00256543-01; NCGC00258980-01; AC-10330; AS-12817; HY-12638; KSC-336-005-1; SBI-0051563.P002; Bis(5-chloro-2-hydroxyphenyl)methane, 95%; FT-0609137; FT-0739351; M0213; E79441; 3,3''-dichloro-6,6''-dihydroxydiphenylmethane; AB00052130_15; Dichlorophene, PESTANAL(R), analytical standard; A845699; Q377552; SR-01000721928; SR-01000721928-3; W-100114; Bis(5-chloro-2-hydroxyphenyl)methane, technical grade, 90%; JAL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757391	.	.	.	.	269.12	C13H10Cl2O2	40.5	226	4.3	17	2	2	2	"InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2"	C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O	MDNWOSOZYLHTCG-UHFFFAOYSA-N
DG50072	Digimed	3061	"Digimed; Digilong; Digimerck; Digisidin; Ditaven; Myodigin; Natigal; Purodigin; Tardigal; Tri-digitoxoside; Digitalinum verum; De-Tone; Digitaline nativelle; Crystalline digitalin; Purodigin, crystalline; Digitaline cristallisee; Digitoxigenin tridigitoxoside; Cardidigin; Carditoxin; Cristapurat; Crystodigin; Digitophyllin; Glucodigin; Acedoxin; Cardigin; Lanatoxin; Purpurid; Coramedan; Digicor; Digipural; Digitrin; NSC7529; NSC 7529; NSC-7529; NCGC00159428-02; MCULE-9206348209; NCGC00159428-03; NCI60_041649; DB-055556; FT-0603272; 5.beta.-Card-20(22)-enolide,14-dihydroxy-, 3-[tris-(digitoxoside)]; 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-(tris-(digitoxoside)); Digitoxin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; 3-((2,6-Dideoxy-4-O-[2,6-dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide #; 4-(3-((5-((5-((4,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)furan-2(5h)-one; Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-; WLN: L E5 B666TJ A1 E1 IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7529	.	.	.	.	764.9	C41H64O13	183	1410	2.3	54	5	13	7	"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3"	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O	WDJUZGPOPHTGOT-UHFFFAOYSA-N
DG50073	"Ergocristine, dihydro-"	3065	"NSC409663; Ergocristine, dihydro-; GTPL278; CHEMBL1967279; BDBM32638; CHEBI:91714; NSC-409663; NCGC00181119-01; NCI60_003928; L000676; BRD-A44701612-066-01-9; N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409663	.	.	.	.	611.7	C35H41N5O5	118	1210	3.3	45	3	6	5	"InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)"	CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C	DEQITUUQPICUMR-UHFFFAOYSA-N
DG50074	"3,3'-Diindolylmethane"	3071	"3,3'-Diindolylmethane; 1968-05-4; diindolylmethane; di(1H-indol-3-yl)methane; 3,3'-Methylenediindole; 3,3'-Methylenebis-1H-indole; 3-(1H-indol-3-ylmethyl)-1H-indole; DIM; ARUNDINE; 1H-Indole, 3,3'-methylenebis-; Di(3-indolyl)methane; 3,3'-Di-indolylmethane; 3,3'-methylenebis(1H-indole); 3,3,-diindolylmethane; UNII-SSZ9HQT61Z; MFCD00195766; SSZ9HQT61Z; bis-1H-indol-3-ylmethane; CHEBI:50182; 3,3'-methanediylbis(1H-indole); HB 236; 3-Diindolyl methane; 3,3'-Diindolymethane; Diidolylmethane; Infemin; CCRIS 5806; Plant Indole; Di-3-indolylmethane; NSC708486; 33'-Diindolylmethane; Spectrum2_001711; Spectrum3_001989; Spectrum5_001955; CBiol_001839; Oprea1_472633; Oprea1_740951; BSPBio_001290; BSPBio_003589; CBDivE_010856; KBioGR_000010; KBioSS_000010; MLS006011847; SCHEMBL325162; SPECTRUM1505331; SPBio_001722; 3,3'-di(indol-3-yl)methane; BML3-F11; CHEMBL446452; 3,3'-Diindolylmethane (DIM); DTXSID8037047; GTPL11208; KBio2_000010; KBio2_002578; KBio2_005146; KBio3_000019; KBio3_000020; KBio3_003002; Bio1_000125; Bio1_000614; Bio1_001103; Bio2_000010; Bio2_000490; HMS1361A12; HMS1791A12; HMS1989A12; HMS3402A12; ZINC187911; 3,3'-diindolylmethane, AldrichCPR; ACT06989; ALBB-016048; BCP00470; CCG-39861; GR-207; HSCI1_000069; s4728; STK263696; AKOS003627372; AM84671; CS-1652; DB11875; KS-5266; MCULE-3718375492; NSC-708486; SB16901; IDI1_033760; NCGC00095348-01; NCGC00095348-02; NCGC00095348-03; NCGC00095348-04; NCGC00095348-05; NCGC00095348-06; NCGC00095348-07; AC-11611; HY-15758; NCI60_038418; SMR001828114; SY038972; 3,3'-Diindolylmethane, >=98% (HPLC); 3,3'-Diindolylmethane, analytical standard; DB-011102; FT-0614061; M1399; 3,3 inverted exclamation marka-Diindolylmethane; A16321; D-3720; 968D054; Q4634053; BRD-K37846922-001-05-2; BRD-K37846922-001-06-0; BRD-K37846922-001-09-4; C444299000"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708486	.	.	.	.	246.31	C17H14N2	31.6	286	4.3	19	2	0	2	"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2"	C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43	VFTRKSBEFQDZKX-UHFFFAOYSA-N
DG50076	Thiorphan	3132	"THIORPHAN; dl-thiorphan; 76721-89-6; 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid; DL-3-Mercapto-2-benzylpropanoylglycine; 2-(2-Benzyl-3-mercaptopropanamido)acetic acid; CHEMBL10247; (DL-3-Mercapto-2-benzylpropanoyl)-Gly-OH; CHEBI:9568; Glycine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-, (+-)-; MFCD00058435; SR-01000076164; n-(2-benzyl-3-sulfanylpropanoyl)glycine; Prestwick_694; (+/-)-Thiorphan; Prestwick0_000633; Prestwick1_000633; Prestwick2_000633; Prestwick3_000633; Lopac0_001139; BSPBio_000626; BSPBio_001543; KBioGR_000263; KBioSS_000263; MLS002153923; SCHEMBL401174; SPBio_002845; BPBio1_000690; BDBM21641; KBio2_000263; KBio2_002831; KBio2_005399; KBio3_000525; KBio3_000526; DTXSID70868412; Bio2_000263; Bio2_000743; DL-Thiorphan, >=98% (TLC); HMS1361N05; HMS1569P08; HMS1791N05; HMS1989N05; HMS2096P08; HMS2230G03; HMS3263D19; HMS3373F16; HMS3402N05; HMS3713P08; Tox21_501139; NSC727676; AKOS024257670; CCG-205213; FD21637; LP01139; NSC 727676; NSC-727676; SDCCGSBI-0051106.P003; IDI1_034013; SMP2_000064; DL-Thiorphan - CAS 76721-89-6; N-(2-Benzyl-3-mercaptopropanoyl)glycine; NCGC00016033-02; NCGC00016033-03; NCGC00016033-04; NCGC00016033-05; NCGC00016033-06; NCGC00016033-11; NCGC00094405-01; NCGC00094405-02; NCGC00094405-03; NCGC00094405-04; NCGC00261824-01; AS-79321; SMR001233267; EU-0101139; FT-0675192; 2-(2-benzyl-3-sulfanylpropanamido)acetic acid; C01619; T 6031; (+/-)-N-(3-Mercapto-2-benzylpropionyl)glycine; N-alpha-(Dl-3-Mercapto-2-Benzylpropanoyl)-Glycine; Q7784695; SR-01000076164-1; SR-01000076164-5; 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid; BRD-A56012032-001-06-4; Racecadotril active metabolite; ; ; Acetorphan active metabolite"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727676	.	.	.	.	253.32	C12H15NO3S	67.4	265	1.3	17	3	4	6	"InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)"	C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O	LJJKNPQAGWVLDQ-UHFFFAOYSA-N
DG50077	"(2R,3R,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	3165	"DRB;; (2R,3R,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol; MLS003171503; 2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC401575; Kinome_3639; CHEMBL267071; SCHEMBL20419020; HMS3373F12; NSC-401575; NCGC00096104-01; NCGC00096104-02; SMR001875388; FT-0666623; 5,6-dichloro-1-beta-d-ribofuranosylbenzimi-dazole; Benzimidazole,6-dichloro-1-.beta.-D-ribofuranosyl-; 1H-Benzimidazole,6-dichloro-1-.beta.-D-ribofuranosyl-; Dichlorobenzimidazole Riboside, DRB (5,6-Dichloro-1-b-D-ribofuranosylbenzimidazole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401575	.	.	.	.	319.14	C12H12Cl2N2O4	87.7	364	1.1	20	3	5	2	"InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2"	C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O	XHSQDZXAVJRBMX-UHFFFAOYSA-N
DG50078	Echinomycin	3197	"Levomycin; Echinomycin; Quinomycin A; NSC526417; 512-64-1; MLS002702903; Quinomycin A;NSC-13502; 1403-88-9; S-426-S (Lepetit); NSC-526417; SMR001566720; Echinomycin A; N,N'-(11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl)bis(quinoxaline-2-carboxamide); GNF-PF-1958; Quinomycin A (7CI,; cid_3197; Neuro_000224; SCHEMBL63091; Echinomycin (NSC-13502); CHEMBL263730; DTXSID5031266; BDBM93922; Antibiotic C638-8, crystalline; NSC13502; NSC-13502; echinomycin (undefined stereochemistry); C 6388; Q5332566; 2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-~ 11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23~ ,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo [12.12.3]nonacosane-7,20-diyl]bis-; 2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl) -27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa -28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan e-7,20-diyl]bis-; N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide; WLN: T C-16-6-16-/CE& A B C- C- 2CP E& AS CX C-S DNV GMV KOV NNV PXNV TMV A&OV D&NVTJ D1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13502	.	.	.	.	1101.3	C51H64N12O12S2	352	2200	2.7	77	4	18	7	"InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)"	CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C	AUJXLBOHYWTPFV-UHFFFAOYSA-N
DG50079	Econazole	3198	"econazole; 27220-47-9; Ecostatin; (+-)-Econazole; Spectazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; (+/-)-Econazol; NSC 187789; C18H15Cl3N2O; CHEBI:82873; 1-(2-((4-Chlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; SQ 13050; NSC187789; NSC-187789; Econazol; Econazolum; 1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-; R-14827; 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[2,4-Dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]imidazole; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-; NSC243115; Econazole (USAN/INN); NCGC00018258-03; Econazol [INN-Spanish]; Econazole [USAN:INN:BAN]; 1-(2,4-Dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)imidazole; CCRIS 9032; 1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; EINECS 248-341-6; BRN 0964150; Spectrum_001223; (.+/-.)-Econazole; Prestwick0_000304; Prestwick1_000304; Prestwick2_000304; Prestwick3_000304; Spectrum2_001439; Spectrum3_001467; Spectrum4_000446; Spectrum5_001033; CHEMBL808; SCHEMBL34498; BSPBio_000268; BSPBio_002993; KBioGR_000832; KBioSS_001703; cid_68589; DivK1c_000113; SPBio_001578; SPBio_002487; BPBio1_000296; GTPL2446; DTXSID2029872; BDBM31773; KBio1_000113; KBio2_001703; KBio2_004271; KBio2_006839; KBio3_002493; 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; NINDS_000113; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole; HY-B0885; MFCD00800993; s5492; STL483402; AKOS015889868; ( inverted exclamation markA)-Econazol; 1H-Imidazole,4-dichlorophenyl)ethyl]-; CCG-268426; DB01127; ( inverted exclamation markA)-Econazole; IDI1_000113; NCGC00018258-02; NCGC00018258-05; NCGC00018258-06; NCGC00018258-07; NCGC00018258-09; AS-13862; M369; MFCD00058160 (.HNO3); NCI60_001564; NCI60_001947; SBI-0051682.P002; DB-047186; AB00053611; FT-0630530; C08068; D03936; F14858; J10460; AB00053611-20; AB00053611_21; AB00053611_22; 220E479; 68797-31-9 (.HNO3); A818963; Q417141; W-107123; BRD-A51820102-008-05-7; BRD-A51820102-008-16-4; 1-[2,4-Dichloro-b-[(p-chlorobenzyl)oxy]phenethyl]imidazole; Imidazole, 1,2,4-dichloro-beta-(p-chlorobenzyl)oxyphenethyl-; Imidazole,4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-; 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-; 1-[2-(4-chloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole; Imidazole, 1-(2,4-dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)-; (+)-1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; ( )-1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-[(2RS)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243115	.	.	.	.	381.7	C18H15Cl3N2O	27	379	5.3	24	0	2	6	"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2"	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	LEZWWPYKPKIXLL-UHFFFAOYSA-N
DG50080	Ellipticine	3213	"ellipticine; 519-23-3; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; Elliptisine; NSC 71795; TCMDC-125546; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole; NSC-71795; ICIG 770; 5,11-Dimethylpyrido[4,3-b]carbazole; UNII-117VLW7484; NSC71795; CHEMBL123; MLS000028487; MLS000736786; CHEBI:4776; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-; 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-; CCG-36483; 117VLW7484; SMR000058370; CCRIS 2003; CP 5; SR-01000003083; EINECS 208-264-0; BRN 0221300; elliptecine; Ellipticin; ellipticine, HCl; 5,3-b]carbazole; Prestwick_194; Ellipticine, synthetic; Opera_ID_1748; Prestwick0_000614; Prestwick1_000614; Prestwick2_000614; Prestwick3_000614; Lopac-E-3380; Probes1_000152; Probes2_000130; cid_3213; Neuro_000031; Lopac0_000531; REGID_for_CID_3213; BSPBio_000548; 5-23-09-00417 (Beilstein Handbook Reference); MLS001076505; SCHEMBL138079; SPBio_002767; BPBio1_000604; AOB6851; DTXSID30199855; HMS1569L10; HMS2096L10; HMS2230H10; HMS3261L03; HMS3371L09; BCP13208; EX-A2053; ZINC1846592; Tox21_500531; BDBM50004233; MFCD00010524; AKOS024457578; CS-5294; LP00531; SDCCGSBI-0050514.P002; CCG36483; NSC71795; NCGC00015411-01; NCGC00015411-02; NCGC00015411-03; NCGC00015411-04; NCGC00015411-05; NCGC00015411-06; NCGC00015411-07; NCGC00015411-08; NCGC00015411-09; NCGC00015411-10; NCGC00015411-12; NCGC00015411-19; NCGC00022199-03; NCGC00022199-04; NCGC00022199-05; NCGC00261216-01; AS-77042; CAS-519-23-3; HY-15753; NCI60_040685; 5,11-dimethyl-2H-pyrido[4,3-b]carbazole; DB-052047; WLN: T D6 B656 FN LMJ C1 J1; B7382; EU-0100531; FT-0632272; C09154; E 3380; K00071; SR-01000003083-2; SR-01000003083-6; BRD-K85985071-001-03-3; BRD-K85985071-001-16-5; BRD-K85985071-001-22-3; Q10359556"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71795	.	.	.	.	246.31	C17H14N2	28.7	342	4.8	19	1	1	0	"InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C	CTSPAMFJBXKSOY-UHFFFAOYSA-N
DG50081	Emodin	3220	"emodin; 518-82-1; Emodol; Frangula emodin; 1,3,8-trihydroxy-6-methylanthracene-9,10-dione; Schuttgelb; Rheum emodin; Archin; Frangulic acid; 3-Methyl-1,6,8-trihydroxyanthraquinone; Persian Berry Lake; 1,3,8-Trihydroxy-6-methylanthraquinone; 6-Methyl-1,3,8-trihydroxyanthraquinone; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-; 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone; C.I. Natural Yellow 14; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione; Alatinone; Rheum-emodin; 4,5,7-Trihydroxy-2-methylanthraquinone; Frangulinic acid; UNII-KA46RNI6HN; C.I. 75440; NSC 408120; NSC 622947; Emodin-d4; Anthraquinone, 1,3,8-trihydroxy-6-methyl-; NSC408120; KA46RNI6HN; CHEMBL289277; Anthraquinone, 6-methyl-1,3,8-trihydroxy-; CHEBI:42223; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone; MFCD00001207; NSC622947; 1,3,8-tri-hydroxy-6-methyl-anthra-quinone; DSSTox_CID_5231; DSSTox_RID_77709; 6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione; DSSTox_GSID_25231; EMO; 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI); 1,8-Trihydroxy-6-methylanthraquinone; CAS-518-82-1; SMR000326798; CCRIS 3528; HSDB 7093; SR-01000075615; EINECS 208-258-8; BRN 1888141; Emdoin; Frangula-emodin; AI3-38286; 3bqc; Emodin,(S); Spectrum_001954; 1f0q; 3ed0; SpecPlus_000332; Spectrum2_000895; Spectrum3_000742; Spectrum4_001757; Spectrum5_000614; Lopac-E-7881; Emodin, analytical standard; NCIMech_000049; Lopac0_000552; BSPBio_002324; KBioGR_002234; KBioSS_002508; 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione; MLS000563068; MLS001066370; MLS004257392; MLS006011712; DivK1c_006428; SCHEMBL177689; SPBio_000710; MEGxp0_000460; DTXSID5025231; ACon1_001939; BDBM11318; KBio1_001372; KBio2_002500; KBio2_005068; KBio2_007636; KBio3_001544; Emodin - CAS 518-82-1; HMS2230K22; HMS3261P05; HMS3373B16; HMS3655H22; 1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione; ACT03256; BCP18372; TNP00318; ZINC3824868; 9, 1,3,8-trihydroxy-6-methyl-; Tox21_202999; Tox21_303218; Tox21_500552; CCG-35263; LMPK13040008; s2295; STL581876; 3-Methyl-1,8-trihydroxyanthraquinone; 4,7-Trihydroxy-2-methylanthraquinone; AKOS003348641; AC-1004; CS-1412; DB07715; KS-5189; LP00552; MCULE-1083063386; NSC-408120; NSC-622947; SDCCGSBI-0050535.P004; Anthraquinone,3,8-trihydroxy-6-methyl-; SMP2_000211; NCGC00015420-01; NCGC00015420-02; NCGC00015420-03; NCGC00015420-04; NCGC00015420-05; NCGC00015420-06; NCGC00015420-07; NCGC00015420-08; NCGC00015420-09; NCGC00015420-22; NCGC00091540-01; NCGC00091540-02; NCGC00091540-03; NCGC00091540-04; NCGC00091540-05; NCGC00257090-01; NCGC00260544-01; NCGC00261237-01; 1,3,8-Trihydroxy-6-methyl-anthraquinone; HY-14393; M371; NCI60_003906; 6-methyl-1,3,8-tri-hydroxy-anthra-quinone; E0500; EU-0100552; FT-0606539; FT-0667846; N1854; SW219906-1; 1,8-Trihydroxy-6-methyl-9,10-anthraquinone; Emodin, from Frangula bark, >=90% (HPLC); E 7881; J10081; K00056; Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone; 1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone; 1,3,8-Trihydroxy-6-methylanthra-9,10-quinone #; 518E821; A828825; Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI); Q-100581; Q4348178; SR-01000075615-1; SR-01000075615-6; BRD-K58685305-001-03-0; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI; Emodin, United States Pharmacopeia (USP) Reference Standard; 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione;3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408120	.	.	.	.	270.24	C15H10O5	94.8	434	2.7	20	3	5	0	"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O	RHMXXJGYXNZAPX-UHFFFAOYSA-N
DG50082	Behenoyl-arabinofuranosyl-cytosine	3228	"BEHENOYL-ARABINOFURANOSYL-CYTOSINE; N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide; BHAC; BH-AC; SCHEMBL7963; CHEMBL1965199; DOCOSANAMIDE,NUCLEOSIDE DERIV; NSC239336; AKOS015895202; SB67389; NCGC00167964-01; NCI60_001919; FT-0630685; N4-BEHENOYL-1-B-D-ARABINOSYLCYTOSINE; Docosanamide,2-dihydro-2-oxo-4-pyrimidinyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239336	.	.	.	.	565.8	C31H55N3O6	132	774	9.2	40	4	6	23	"InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)"	CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	SAMRUMKYXPVKPA-UHFFFAOYSA-N
DG50083	Erythrosin B	3259	"Erythrosin B; Tetraiodofluorescein; 15905-32-5; Iodeosin; Erythrosine acid; Solvent Red 140; ERYTHROSINE; Erythrosine, phenolic; 2,4,5,7-Erythrosin; 2',4',5',7'-Tetraiodofluorescein; UNII-1A878FZQ9B; E127; 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one; 1A878FZQ9B; NCGC00166249-02; Food Red No. 3; DSSTox_CID_24207; DSSTox_RID_80523; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; DSSTox_GSID_44843; C.I. Food Red 14; FD and C Red No. 3; 3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one; SMR000857151; CAS-15905-32-5; EINECS 240-046-0; NSC 328781; C.I. 45430; BRN 0062817; Fluoresceins; Felumin; Ceplac; Trace; Dianthine B; Iodeosine B; Pyrosine B; C20H8I4O5; Tetrajodfluorescein; Spiro[isobenzofuran-1(3H),9'-[9h]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-; E127 Erythrosine; 2,5,7-Erythrosin; tetra-iodo-fluorescein; Cogilor orange 211.10; Cogilor orange 312.42; Erythrosine sodium anhydrous; C.I. Solvent Red 140; 2,5,7-Tetraiodofluorescein; SCHEMBL25042; Erythrosine, sodium anhydrous; 4-19-00-02923 (Beilstein Handbook Reference); MLS001332405; MLS001332406; Red 1427; CHEMBL1332616; DTXSID7044843; 2',5',7'-Tetraiodofluorescein; 2, 4,5,7-Tetraiodofluorescein; Fluorescein,4',5',7'-tetraiodo-; ZINC8214556; Tox21_113464; Tox21_301634; 6670AH; BDBM50542241; Erythrosin B, Dye content >=95 %; NSC328781; STL453505; AKOS015903873; Tox21_113464_1; MCULE-7126483659; NSC-328781; 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one; SMP2_000049; NCGC00166249-01; NCGC00166249-03; NCGC00256240-01; AS-74205; CS-0030748; T0124; Q420101; J-009558; Fluorescein, 2',4',5',7'-tetraiodo- (VAN) (8CI); UNII-YUW2S48521 component OALHHIHQOFIMEF-UHFFFAOYSA-N; Spiro[isobenzofuran-1(3H), 3',6'-dihydroxy-2',4',5',7'-tetraiodo-; 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328781	.	.	.	.	835.9	C20H8I4O5	76	645	6	29	2	5	0	"InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H"	C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I	OALHHIHQOFIMEF-UHFFFAOYSA-N
DG50084	Ethacrynic acid	3278	"ETHACRYNIC ACID; Etacrynic Acid; 58-54-8; ethacrynate; Etacrinic acid; Edecrin; Hydromedin; Crinuryl; Edecril; Edecrina; Endecril; Hidromedin; Otacril; Taladren; Mingit; Reomax; Uregit; Etakrinic acid; Methylenebutyrylphenoxyacetic acid; MK-595; Ethacrinique (acide); Acido etacrinico; Acide etacrynique; Acidum etacrynicum; Kyselina ethakrynova; Kyselina ethakrynova [Czech]; 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Acide etacrynique [INN-French]; Acido etacrinico [INN-Spanish]; Acidum etacrynicum [INN-Latin]; (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid; Methylenebutyryl phenoxyacetic acid; [2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid; 2,3-Dichloro-4-(2-methylenebutyl)phenoxyacetic acid; UNII-M5DP350VZV; MK 595; NSC 85791; NSC 624008; BRN 1915060; Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxy acetic acid; (2,3-Dichloro-4-(2-methylenebutyryl)phenoxy)acetic acid; (4-(2-Methylenebutyryl)-2,3-dichlorophenoxy)acetic acid; 2-(2,3-Dichloro-4-(2-methylenebutanoyl)phenoxy)acetic acid; CHEMBL456; Acetic acid, (2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy)-; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]; M5DP350VZV; 58-54-8 (free acid); MLS000069535; MLS002701928; CHEBI:4876; [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova; Acetic acid, (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)-; NSC85791; NSC-85791; NSC624008; NSC-624008; CAS-58-54-8; [2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; [4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid; NCGC00016260-05; 2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; SMR000058600; [2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid; Ethacryinic Acid; DSSTox_CID_5257; DSSTox_RID_77718; DSSTox_GSID_25257; Ethacrynic acid [USAN:BAN]; (2,3-Dichloro-4-[2-methylenebutyryl]phenoxy)acetic acid; C13H12Cl2O4; CCRIS 4638; HSDB 2136; Ethacrynic acid (USP); SR-01000003010; EINECS 200-384-1; etacrynicacid; Etacrynsaure; Crinuril; Acetic acid, [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; etacrynic-acid; Ethacrynic acid [USAN:USP]; 1gsf; 2gss; Prestwick_671; Opera_ID_61; Etacrynic acid [INN]; Spectrum_000813; Prestwick0_000259; Prestwick1_000259; Prestwick2_000259; Prestwick3_000259; Spectrum2_000097; Spectrum3_000425; Spectrum4_000544; Spectrum5_000680; E0526; bmse000134; SCHEMBL26353; BSPBio_000078; BSPBio_002010; KBioGR_001207; KBioSS_001293; MLS002548854; DivK1c_000900; Etacrynic acid (JP17/INN); SPECTRUM1500287; SPBio_000054; SPBio_002297; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxyacetic acid; BPBio1_000086; GTPL7179; ZINC1382; DTXSID3025257; HMS502M22; KBio1_000900; KBio2_001293; KBio2_003861; KBio2_006429; KBio3_001230; NINDS_000900; HMS1568D20; HMS1920M16; HMS2089N17; HMS2091D17; HMS2095D20; HMS3259G03; HMS3712D20; Pharmakon1600-01500287; HY-B1640; Ethacrynic acid, >=97% (HPLC); Tox21_110335; Tox21_201102; BDBM50186231; CCG-38915; MFCD00056693; NSC757026; s5561; WLN: QV1OR BG CG DVY2&U1; GST Inhibitor-2 (Ethacrynic acid)); AKOS003404732; Tox21_110335_1; DB00903; KS-1453; MCULE-6140194266; NC00450; NSC-757026; IDI1_000900; NCGC00016260-01; NCGC00016260-02; NCGC00016260-03; NCGC00016260-04; NCGC00016260-06; NCGC00016260-07; NCGC00016260-08; NCGC00016260-09; NCGC00016260-10; NCGC00016260-11; NCGC00016260-13; NCGC00022601-03; NCGC00022601-04; NCGC00022601-05; NCGC00258654-01; NCI60_041898; SBI-0051374.P003; DB-053221; AB00051988; CS-0013591; V0310; A51097; D00313; AB00051988-19; AB00051988_20; A831918; Q418571; SR-01000003010-2; SR-01000003010-3; BRD-K63630713-001-05-0; BRD-K63630713-001-15-9; [2,3-Dichloro-4-(2-ethylacryloyl)phenoxy]acetic acid #; Acetic acid,3-dichloro-4-(2-methylenebutyryl)phenoxy]-; Acetic acid,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-; Ethacrynic acid, European Pharmacopoeia (EP) Reference Standard; Ethacrynic acid, United States Pharmacopeia (USP) Reference Standard; Etacrynic acid for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85791	.	.	.	.	303.13	C13H12Cl2O4	63.6	370	3.8	19	1	4	6	"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)"	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	AVOLMBLBETYQHX-UHFFFAOYSA-N
DG50085	Fenbendazole	3334	"fenbendazole; 43210-67-9; Panacur; Fenbendazol; Phenbendasol; Fenbendazolum; Safe-Guard; Hoe 881v; Methyl 5-(phenylthio)-2-benzimidazolecarbamate; Safe-quard; 2-(Methoxycarbonylamino)-5-(phenylthio)benzimidazole; methyl [5-(phenylsulfanyl)-1H-benzimidazol-2-yl]carbamate; HOE-881v; methyl (6-(phenylthio)-1H-benzo[d]imidazol-2-yl)carbamate; methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate; UNII-621BVT9M36; Fenbendazole (Panacur); Fenbendazole (USP/INN); MFCD00144301; methyl N-[5-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate; Carbamic acid, [5-(phenylthio)-1H-benzimidazol-2-yl]-, methyl ester; Methyl (5-(phenylthio)-1H-benzimidazol-2-yl)carbamate; CHEMBL37161; 5-(phenylthio)-2-benzimidazolecarbamic acid methyl ester; MLS000069723; 2-Benzimidazolecarbamic acid, 5-(phenylthio)-, methyl ester; CHEBI:77092; [5-(Phenylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; HOE 881; 621BVT9M36; Carbamic acid, (5-(phenylthio)-1H-benzimidazol-2-yl)-, methyl ester; N-[6-(phenylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester; methyl [5-(phenylthio)-1H-benzimidazol-2-yl]carbamate; NSC-757824; NCGC00016855-01; SMR000058217; CAS-43210-67-9; Carbamic acid, N-[6-(phenylthio)-1H-benzimidazol-2-yl]-, methyl ester; DSSTox_CID_20672; DSSTox_RID_79532; DSSTox_GSID_40672; Methyl [5-(Phenylthio)benzimidazol-2-yl]carbamate; methyl 5-(phenylthio)-1H-benzo[d]imidazol-2-ylcarbamate; methyl (5-(phenylthio)-1H-benzo[d]imidazol-2-yl)carbamate; methyl N-(5-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate; [5-(Phenylthio)benzimidazol-2-yl]carbamic Acid Methyl Ester; Fenbendazol [INN-Spanish]; Fenbendazolum [INN-Latin]; CCRIS 7309; Fenbendazole [USAN:BAN:INN]; EINECS 256-145-7; Pancacur; Axilur; Panacur aquasol; Worm-A-Rest; Prestwick_213; Fenbendazole [USAN:USP:INN:BAN]; Panacur (TN); Spectrum_001254; Fenbendazole, >=98%; Prestwick0_000210; Prestwick1_000210; Prestwick2_000210; Prestwick3_000210; Spectrum2_000040; Spectrum3_000911; Spectrum4_001010; Spectrum5_001359; cid_3334; Panacur [veterinary] (TN); Oprea1_477843; BSPBio_000199; KBioGR_001479; KBioSS_001734; MLS006010049; DivK1c_000257; SCHEMBL166352; SPECTRUM1501016; SPBio_000139; SPBio_002120; Fenbendazole for veterinary use; BPBio1_000219; HOE 881Y; HOE-881Y; SCHEMBL8469702; DTXSID0040672; SCHEMBL20796999; BDBM31047; HMS500M19; KBio1_000257; KBio2_001734; KBio2_004302; KBio2_006870; KBio3_001882; NINDS_000257; HMS1568J21; HMS1921D03; HMS2090G12; HMS2092B11; HMS2095J21; HMS2234P14; HMS3371J16; HMS3656C04; HMS3712J21; Pharmakon1600-01501016; ZINC402911; BCP22258; HY-B0413; Tox21_110649; Tox21_301828; CCG-39631; NSC757824; s2468; STK378581; AKOS005448335; AKOS024462438; Tox21_110649_1; AC-8717; CCG-220210; DB11410; KS-5042; MCULE-9731772039; NSC 757824; IDI1_000257; NCGC00016855-02; NCGC00016855-03; NCGC00016855-04; NCGC00016855-05; NCGC00016855-06; NCGC00016855-07; NCGC00016855-08; NCGC00016855-10; NCGC00016855-11; NCGC00022515-03; NCGC00022515-04; NCGC00022515-05; NCGC00255694-01; I011; SMR004701217; SY052602; SBI-0051634.P002; AB00052199; F0812; FT-0630630; SW196522-3; C21876; D04140; J10252; AB00052199-13; AB00052199-14; AB00052199_15; AB00052199_16; Fenbendazole, VETRANAL(TM), analytical standard; 210F679; A826225; methyl 5-(phenyl-thio)-2-benzimidazole-carbamate; Methyl 5-phenylthio-1H-benzimidazol-2-ylcarbamate; Q908013; SR-01000000195; SR-05000001768; Q-201109; SR-01000000195-2; SR-05000001768-1; BRD-K51318897-001-04-7; BRD-K51318897-001-07-0; BRD-K56309460-001-03-0; Methyl 5-(phenylsulfanyl)-1H-benzimidazol-2-ylcarbamate #; Fenbendazole, European Pharmacopoeia (EP) Reference Standard; (5-Phenylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester; Fenbendazole, United States Pharmacopeia (USP) Reference Standard; Panacur; Phenbendasol; Safe-quard; Hoe 881v; Hoe881v; Hoe-881v; Fenbendazole, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757824	.	.	.	.	299.3	C15H13N3O2S	92.3	363	3.6	21	2	4	4	"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3	HDDSHPAODJUKPD-UHFFFAOYSA-N
DG50086	5-Fluoro-2'-deoxyuridine	3363	"5-Fluoro-2'-deoxyuridine; 2968-28-7; Floxuridin; FdUrd; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione; Uridine, 2'-deoxy-5-fluoro-; 5-FUDR; 5-Fluorouracil deoxyriboside; FDUR; NSC 27640; Ro 5-0360; Uridine, 2'-deoxy-5-fluoro; Uridine, 2'-deoxy-5'-fluoro-; NSC27640; 955-24-8; Neuro_000015; CHEMBL6628; NCIOpen2_002917; SCHEMBL2050487; CHEBI:94445; DTXSID70274397; .beta.-5-Fluoro-2'-deoxyuridine; HMS3259B07; HMS3371D03; HMS3654N13; ALBB-023675; NSC66259; NSC-66259; NSC527320; AKOS015998165; MCULE-4401224773; NC00623; NSC-527320; NCGC00018095-02; NCGC00018095-03; NCGC00018095-04; NCGC00094992-01; NCGC00094992-02; NCGC00094992-03; LS-07473; NCI60_002251; DB-020996; WLN: T6NVMVJ EF A- ET5OTJ B1Q CQ; FT-0620392; EN300-50293; 1.beta.-D-2'-Deoxyribofuranosyl-5-flurouracil; 1.beta.-D-2'-Deoxyribofuranosyl-5-fluorouracil; AB01273927-01; 1-(2-Deoxy-.beta.-D-ribofuranosyl)-5-fluorouracil; 1-(2-Deoxy-b-D-threo-pentofuranosyl)-5-fluorouracil; BRD-A80638690-001-01-0; Q27166311; 5-Fluor-1-(.beta.-2'-deoxyribofuranosyl)pyrimidin-2,4(1H,3H)-dion; 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione; (2'S,3S)-[2-(3-Hydroxypyrrolidin-1-yl)-1-phenylethyl]methylcarbamicacidbenzylester; 1397179-21-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27640	.	.	.	.	246.19	C9H11FN2O5	99.1	386	-1.2	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O	ODKNJVUHOIMIIZ-UHFFFAOYSA-N
DG50087	2-Fluoro Ara-A	3367	"Fludarabine Base; 2-Far; 19768-92-4; F-ara-A;NSC 118218; 2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2'-fluoroadenosine; 2-Fluoro Ara-A; 2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 21679-15-2; 2-Fas; SRI 727; 2-fluoro-9-pentofuranosyl-9h-purin-6-amine; NSC-118218; CHEMBL598; 2-Fluoroadenine arabinoside; SCHEMBL12019517; DTXSID30274398; HMS3372G10; HMS3373K17; HMS3868I13; BCP03611; NSC30605; 2-Fluoro ARA-A (9-.alpha.-D); NSC-30605; NSC108524; NSC118218; NSC124463; STL454964; AKOS015962354; NSC-108524; NSC-124463; SB19413; SB67359; AC-16705; NCI60_000572; DB-011559; DB-021115; FT-0626438; FT-0631846; Adenine, 9-.beta.-D-arabinofuranosyl-2-fluoro-; Purine, 6-amino-2-fluoro-9-.beta.-D-ribofuranosyl-; 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118218	.	.	.	.	285.23	C10H12FN5O4	140	367	-0.6	20	4	9	2	"InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N	HBUBKKRHXORPQB-UHFFFAOYSA-N
DG50088	Fludara	3368	"fludara; FAMP; 9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-; 2-F-ara-AMP; NSC-328002; Fludarabine Phosphate (Fludara); Fludura; NSC 312887; NSC 328002; Fludara (Berlex); [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; 2-fluoro-9-(5-o-phosphonopentofuranosyl)-9h-purin-6-amine; SCHEMBL1650192; CHEMBL1965242; HMS3654F05; NSC312887; STL452901; STL452969; NCI60_002698; DB-050430; FT-0630840; AB01273950-01; 9-.beta.-Arabinofuranosyl-2-fluoroadenine-5'-phosphate; 9-.beta.-D-Arabinofuranosyl-2-fluoroadenine 5'-monophosphate; 2-Fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-9H-purin-6-amine; 2-fluoro-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine; 9-.beta.-D-Arabinofuranosyl-2-fluoroadenine 5'-(dihydrogen phosphate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312887	.	.	.	.	365.21	C10H13FN5O7P	186	514	-3.1	24	5	12	4	"InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N	GIUYCYHIANZCFB-UHFFFAOYSA-N
DG50089	6alpha-Fluorodexamethasone	3375	"6.alpha.-Fluorodexamethasone; NSC54702; MFCD00056464; CHEMBL2007346; AKOS025149901; MCULE-4580442571; LS-14954; NCI60_004347; SY074151; FT-0626440; FT-0666805; U 10974; 6.alpha.,9.alpha.-Difluoro-16.alpha.-methylprednisolone; 6.alpha.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-16.alpha.-methyl-; Pregna-1,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6.alpha.,11.beta.,16.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54702	.	.	.	.	410.5	C22H28F2O5	94.8	839	1.9	29	3	7	2	"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3"	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F	WXURHACBFYSXBI-UHFFFAOYSA-N
DG50090	Fluspirilene	3396	"Fluspirilene; Redeptin; 1841-19-6; Imap; Fluspirilen; Fluspirilenum [INN-Latin]; Fluspirileno [INN-Spanish]; McN-JR-6218; R 6218; Fluspiriline; 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; UNII-C5QA4GLR9M; R 6218;Redeptin; C5QA4GLR9M; 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane; CHEMBL46516; R-6218; NCGC00015424-04; NCGC00015424-11; Fluspirileno; Fluspirilenum; CAS-1841-19-6; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-; DSSTox_CID_25152; DSSTox_RID_80706; DSSTox_GSID_45152; Fluspirilene [USAN:INN:BAN]; SMR000058304; Imap (TN); Lopac-F-100; SR-01000075385; EINECS 217-418-6; Fluspirilene (USAN/INN); spiropiperidine analogue, 1; BRN 0633853; 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one; Prestwick0_000906; Prestwick1_000906; Prestwick2_000906; Prestwick3_000906; F-100; GTPL85; 8-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; cid_3396; Lopac0_000518; Oprea1_804941; SCHEMBL42082; BSPBio_000752; BSPBio_001343; 5-26-04-00097 (Beilstein Handbook Reference); MLS000069357; MLS001333730; SPBio_002951; McN-JR 6218; BPBio1_000828; DTXSID7045152; BDBM26948; CHEBI:93369; TQP0727; HMS1570F14; HMS1791D05; HMS1989D05; HMS2089C15; HMS2097F14; HMS2233B20; HMS3261H17; HMS3372H20; HMS3402D05; HMS3714F14; ZINC537755; AOB33780; BCP09254; Fluspirilene (R 6218; Redeptin); HY-B1655; Tox21_110142; Tox21_500518; MFCD00055137; NSC772296; 8-[4,4-bis(p-Fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4.5]decan-4-one; AKOS015969747; Tox21_110142_1; CCG-204608; DB04842; LP00518; NSC-772296; SDCCGSBI-0050501.P002; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(p-fluorophenyl)butyl]-1-phenyl-; NCGC00015424-01; NCGC00015424-02; NCGC00015424-03; NCGC00015424-05; NCGC00015424-06; NCGC00015424-07; NCGC00015424-08; NCGC00015424-09; NCGC00015424-15; NCGC00016595-01; NCGC00093913-01; NCGC00093913-02; NCGC00093913-03; NCGC00093913-04; NCGC00093913-05; NCGC00261203-01; AS-16749; AB00513956; CS-0013609; EU-0100518; FT-0668770; D02629; AB00513956-10; L001195; Q408300; J-011797; SR-01000075385-1; SR-01000075385-5; BRD-K77947974-001-04-9; ETHYL1-(TERT-BUTYL)-4,5-DIOXOPYRROLIDINE-3-CARBOXYLATE; Fluspirilene, European Pharmacopoeia (EP) Reference Standard; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4,5)decan-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	772296	.	.	.	.	475.6	C29H31F2N3O	35.6	653	5.6	35	1	5	7	"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	QOYHHIBFXOOADH-UHFFFAOYSA-N
DG50091	Epigalanthamin	3449	"Galantamin; Epigalanthamin; MLS000766281; NSC100058; 9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol; epigalanthamine; Galanthamine #; Dihydrogalantamine; NSC-100058; Galanthamine,(3.alpha.-; Galantamine; HSDB 7361; Oprea1_097473; Oprea1_098077; SCHEMBL220427; CHEMBL1623394; CHEBI:91735; HMS2269H23; HMS3561F13; BCP28966; LSM-1597; BBL028838; STL146336; AKOS000635322; NCI60_000004; SMR000528869; FT-0667895; FT-0668941; FT-0668942; FT-0668943; Q-201144; BRD-A49148672-001-07-9; BRD-A49148672-004-01-6; Q27163546; (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12.0^{6,17]heptadeca-6(17),7,9,15-tetraen-14-ol; 6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS-(4a.alpha.,6.beta.,8aR*))-; 6H-Benzofuro[3a,2-ef][2]benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, [4aS-(4a.alpha.,6.beta.,8aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100058	.	.	.	.	287.35	C17H21NO3	41.9	440	1.8	21	1	4	1	"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3"	CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O	ASUTZQLVASHGKV-UHFFFAOYSA-N
DG50092	Gedunine	3458	"gedunin; Gedunine; MLS002706531; 2753-30-2; CHEMBL2004035; SCHEMBL17603575; NSC113497; NSC-113497; 16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone, acetate; D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-; NCI60_000302; SMR001573935; 1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4b,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl acetate #; 16,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-7.alpha.,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone, acetate; D-Homo-24-nor-17-oxachola-1,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113497	.	.	.	.	482.6	C28H34O7	95.3	1030	4.2	35	0	7	3	"InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3"	CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C	YJXDGWUNRYLINJ-UHFFFAOYSA-N
DG50093	Gentian violet cation	3468	"Gentian violet cation; Crystal violet ion(1); 7438-46-2; Crystal violet cation; UNII-3GVJ31T6YY; crystal violet(1+); gentian violet(1+); CHEBI:77181; Hexamethyl pararosaniline; crystal violet carbocation; gentian violet carbocation; 3GVJ31T6YY; GV-Eleven; Basic Violet-3; Crystal Violet Base; [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; N-(4-{bis[4-(dimethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium; GNF-PF-880; NSC3090; NSC271967; tris[4-(dimethylamino)phenyl]methylium; Crystal-violet; EINECS 238-398-5; Bis(p-(dimethylamino)phenyl)(p-(dimethylammonio)phenyl)methylium; Spectrum_000829; (4-(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; Spectrum2_001088; Spectrum3_000442; Spectrum4_000564; Spectrum5_000754; Crystal Violet ion(1+); SCHEMBL94116; BSPBio_002084; KBioGR_000968; KBioSS_001309; DivK1c_000031; SPBio_001136; CHEMBL459265; KBio1_000031; KBio2_001309; KBio2_003877; KBio2_006445; KBio3_001304; DTXSID10873000; NINDS_000031; BDBM50052802; STL257078; ZINC13763987; AKOS005208606; DB00406; MCULE-8035197748; IDI1_000031; NCGC00091112-03; NCGC00091112-04; NCGC00091112-05; NCGC00091112-06; NCGC00091112-07; NCGC00091112-08; Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-; NCI60_002648; SBI-0051393.P003; AB00443808-03; AB00443808_05; AB00443808_06; A845487; BRD-K60025295-003-02-5; BRD-K60025295-003-03-3; Q63390508; [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; 4-{bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium; Dimethyl[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dienylidene]aminium; N-(4-(bis(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271967	.	.	.	.	372.5	C25H30N3+	9.5	542	4.9	28	0	2	4	"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C	LGLFFNDHMLKUMI-UHFFFAOYSA-N
DG50094	Aspergillin	3477	"Aspergillin; NSC102866; NSC 102866; CHEMBL1972524; SCHEMBL14986985; BCBcMAP01_000033; NSC77672; NSC 77672; NSC-77672; NSC-102866; SMP1_000141; NCI60_000081; S-82; SN 12870; FT-0701681; S. N. 12870; 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-; 10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3.alpha.,5a.beta.,6.beta.,10a.alpha.)]-; 10H-3,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3.alpha.,5a.beta.,6.beta.,10a.alpha.)]-; 10H-3,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-,(3R,5aS,6S,10aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102866	.	.	.	.	326.4	C13H14N2O4S2	132	621	-0.7	21	2	6	1	"InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3"	CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O	FIVPIPIDMRVLAY-UHFFFAOYSA-N
DG50095	Gossypol	3503	"gossypol; 303-45-7; (-)-Gossypol; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-Gossypol; (R)-(-)-Gossypol; AT 101; Gossypol solution; No Fertil; 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; (+/-)-Gossypol; BL 193; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 20300-26-9; NSC 56817; AT101; C30H30O8; NSC56817; BRN 1917878; CHEMBL51483; 303-45-7 (free); 2,2'-bi[8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene]; 2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); MFCD00017352; NSC-56817; NSC624336; NSC-624336; NCGC00016423-03; CAS-303-45-7; racemic-Gossypol; DSSTox_CID_3110; DSSTox_RID_76879; DSSTox_GSID_23110; [2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 4-08-00-03754 (Beilstein Handbook Reference); 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde; (+-)-Gossypol; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; Gossypol Sodium Salt; CCRIS 2689; Gissypol, (R)-; NSC-19048; Sodium Salt, Gossypol; Gossypol, (+)-Isomer; Gossypol, (-)-Isomer; SR-01000597521; Gossypol Dipotassium Salt; UNII-XNA7DR63CQ; Gossypol, (+-)-Isomer; Dipotassium Salt, Gossypol; UNII-8DY2X8LXW4; NSC 624336; ssypol; UNII-KAV15B369O; Thespesin; AI3-22957; HSDB 7872; Gossypol, 4; Prestwick_1031; Gossypol, (R)-; Gossypol, (S)-; Pogosin; AT101; Spectrum_000359; Spectrum_001521; Tocris-1964; ST065835; SpecPlus_000602; Prestwick0_000677; Prestwick1_000677; Prestwick2_000677; Prestwick3_000677; Spectrum2_001472; Spectrum2_001624; Spectrum3_001102; Spectrum3_001516; Spectrum4_000846; Spectrum4_001931; Spectrum5_000693; Spectrum5_001035; 8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; Gossypol from cotton seeds; XNA7DR63CQ; UPCMLD-DP103; NCIMech_000271; cid_3503; SCHEMBL3939; 8DY2X8LXW4; BSPBio_000773; BSPBio_002804; BSPBio_003191; KBioGR_001451; KBioGR_002303; KBioSS_000839; KBioSS_002001; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (-)-; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-, (+)-; MLS000028490; DivK1c_000173; DivK1c_006698; SPECTRUM1504019; SPBio_001423; SPBio_001687; SPBio_002694; BPBio1_000851; cid_227456; GTPL4204; KAV15B369O; DTXSID5023110; UPCMLD-DP103:001; UPCMLD-DP103:002; BDBM23223; BDBM46555; KBio1_000173; KBio1_001642; KBio2_000839; KBio2_002001; KBio2_003407; KBio2_004569; KBio2_005975; KBio2_007137; KBio3_002024; KBio3_002691; EX-A068; NINDS_000173; HMS1570G15; HMS2097G15; HMS3262J15; HMS3268O22; HMS3413L10; HMS3651C18; HMS3677L10; HMS3868F13; (+/-)-Gossypol from cotton seeds; ALBB-033351; BCP03607; ZINC3775575; Tox21_110434; Tox21_500847; BL-193; CCG-35400; NSC726190; NSC728875; s6852; STK063457; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahyd; AKOS002140475; Tox21_110434_1; AT25344; BCP9000332; DB13044; LMPR0103330002; LP00847; MCULE-2539927675; NSC 726190; NSC-726190; NSC-728875; SB17342; SDCCGSBI-0051726.P004; IDI1_000173; SMP2_000170; NCGC00016423-01; NCGC00016423-02; NCGC00016423-04; NCGC00016423-05; NCGC00016423-06; NCGC00016423-07; NCGC00016423-08; NCGC00016423-09; NCGC00016423-10; NCGC00016423-12; NCGC00016423-14; NCGC00016423-15; NCGC00016423-17; NCGC00016423-34; NCGC00025331-01; NCGC00025331-02; NCGC00025331-03; NCGC00025331-04; NCGC00025331-06; NCGC00025331-07; NCGC00261532-01; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl)]-2,3,8-trihy droxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; AC-20251; AC-30274; AC-34521; AS-55885; BP-25397; HY-13407; HY-15464; NCI60_001588; NCI60_004391; SMR000058386; BCP0726000183; DB-047766; AB00052921; FT-0631917; N2135; SW197103-2; V0195; A15004; C07667; 303G457; A820340; Q411882; J-017920; SR-01000597521-1; SR-01000597521-5; SR-01000597521-6; (+/-)-Gossypol from cotton seeds, >=95% (HPLC); BRD-K19295594-001-06-9; BRD-K19295594-001-10-1; BRD-K19295594-015-02-8; ( inverted exclamation markA)-GOSSYPOL FROM COTTON SEEDS; 8-Formyl-1,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene; (+/-)-2,2'-bis(8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene); (-)-2,2'-Bis(1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthalene); (2,8'-dicarboxaldehyde, 1,1',6,6'7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-; (+)1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; (-)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'- hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-, (2R)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1- methylethyl)-; [2,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde; 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl[2,2'-binaphthalene]-8,8'-dicarbaldehyde; 1,1',6,6'-Tetrahydroxy-3,3'-dimethyl-5,5'-diisopropyl-8,8'-bis(hydroxymethylene)-2,2'-binaphthalene-7,7'(8H,8'H)-dione; 7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4-(methylethyl)naphthalenecarbaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde; acetic acid;7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde; ethanoic acid;7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde; Pogosin; ; ; AT-101; ; ; 7-(8-Formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56817	.	.	.	.	518.6	C30H30O8	156	780	6.9	38	6	8	5	"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3"	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O	QBKSWRVVCFFDOT-UHFFFAOYSA-N
DG50096	Gris-PEG	3512	"Gris-PEG; (+)-Griseofulvin; Fulvicin; Polygris; Gricin; Griseo; Grifulvin V; 6915-11-3; 78739-00-1; Griseostatin; Grisovin; Grisowen; MLS000028436; NSC34533; 7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; SMR000058317; Delmofulvina; Fulvistatin; Griscofulvin; Fulcine; Fulvina; Fulvinil; Fungivin; Greosin; Gresfeed; Grifulin; Grisetin; Guservin; Murfulvin; Xuanjing; 7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione; Fulvicin Bolus; Neo-Fulcin; Biogrisin-FP; Fulvican grisactin; Griseofulvin-forte; Fulvicin-P/G; Fulvicin-U/F; 7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S,6'R)-; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1'S-trans)-; USAF SC-2; Likunden; Sporostatin xan; NSC 34533; NSC-34533; Grisovin FP; Spiro[benzofuran-2(3H),4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl; Griseofulvin, (+)-; Opera_ID_606; BUTYLAMINEHYDROCHLORIDE; Oprea1_256659; 7-Chloro-4,6,2'-trimethoxy-6'-methylgris-2'-en-3,4'-dione; MLS001148597; MLS001183742; SCHEMBL686362; CHEMBL1369825; HMS1607K07; HMS2231B24; HMS3369L02; Fulvidex (Veterinary) (Salt/Mix); BCP19165; BCP19308; NSC41728; BBL005655; MFCD00067093; NSC-41728; STK177238; AKOS000715079; MCULE-8628846302; NCGC00017237-03; NCGC00017237-04; NCGC00017237-06; NCGC00089777-02; 7-chloro-4,6,12-trimethoxy-14-methylspiro[2-hydrobenzo[b]furan-2,4'-cyclohexan e]-11-ene-3,10-dione; AC-32026; NCI60_003070; SY071186; VS-01589; FT-0603329; Gris-PEG; Grifulvin pound>>Griseofulvin pound>>Fulvicin-U-F; 2',4,6-Trimethoxy-6'-methyl-7-chlorospiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione; 3-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-8-oxo-7-(2-tetrazol-1-yl-acety; 7-Chloro-2',4,6-trimethoxy-6'-methyl-spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione; 7-Chloro-2',4,6-trimethoxy-6'.beta.-methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione; Spiro(benzofuran-2(3H),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-; Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'.beta.-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34533	.	.	.	.	352.8	C17H17ClO6	71.1	575	2.2	24	0	6	3	"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3"	CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC	DDUHZTYCFQRHIY-UHFFFAOYSA-N
DG50097	"6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene"	3558	"NSC662825; 58086-84-3; 6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene; HALOMON (RACEMIC); Neuro_000386; (+)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; SCHEMBL6265894; CHEMBL1966017; DTXSID10973670; NSC673501; NSC673502; NSC-662825; NSC-673501; NSC-673502; NCI60_021713; NCI60_026038; NCI60_026039; (-)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; 6-Bromo-2,7-trichloro-3-(bromomethyl)-7-methyl-1-octene,(mixture of diastereoisomers)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662825	.	.	.	.	401.4	C10H15Br2Cl3	0	231	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(12)9(2,3)14/h8H,1,4-6H2,2-3H3"	CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl	OVLCIYBVQSJPKK-UHFFFAOYSA-N
DG50098	Haloprogin	3561	"haloprogin; 777-11-7; Mycanden; Halotex; Mycilan; Polik; M-1028 (Meiji); 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene; M 1028; 2,4,5-Trichlorophenyl iodopropargyl ether; UNII-AIU7053OWL; 3-Iodo-2-propynyl 2,4,5-trichlorophenyl ether; Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl; Haloprogine; NSC-100071; AIU7053OWL; CHEMBL1289; HALOPROGIN (200 MG); Haloprogina; Haloproginum; NSC100071; Benzene, 1,2,4-trichloro-5-((3-iodo-2-propynyl)oxy)-; Haloprogine [INN-French]; Haloproginum [INN-Latin]; NCGC00181134-01; Haloprogina [INN-Spanish]; M-1028; 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene; Benzene, 1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]-; C9H4Cl3IO; Halotex (TN); component of Halotex; EINECS 212-286-6; 2,4,5-Trichlorophenyl gamma-iodopropargil ether; 2,4,5-Trichlorophenyl-gamma-iodopropargyl ether; NSC 100071; (3-Iod-2-propinyl)-(2,4,5-trichlorphenyl)ether; BRN 1976771; 1,2,4-Trichloro-5-((3-iodoprop-2-yn-1-yl)oxy)benzene; Haloprogen; Haloprogin (JAN/USAN/INN); Haloprogin [USAN:USP:INN:JAN]; Prestwick_232; Halotex (Salt/Mix); Spectrum_001852; Ether,4,5-trichlorophenyl; SCHEMBL3649; HALOPROGIN(200MG); DSSTox_CID_26865; DSSTox_RID_81972; DSSTox_GSID_46865; KBioSS_002369; 2,4,5-Trichlorophenyl .gamma.-iodopropargyl ether; DivK1c_000762; 1,2,4-trichloro-5-[(3-iodo-2-propynyl) oxy]benzene; CHEBI:5614; Benzene,1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]; DTXSID9046865; HMS502G04; KBio1_000762; KBio2_002365; KBio2_004933; KBio2_007501; WLN: I1UU2OR BG DG EG; NINDS_000762; HMS3713A06; BCP20218; ZINC1530649; Tox21_112741; BDBM50194601; CCG-220402; DB00793; 2,5-Trichlorophenyl iodopropargyl ether; IDI1_000762; NCGC00181134-02; NCGC00181134-04; CAS-777-11-7; Z3201; 3-Iodo-2-propynyl 2,5-trichlorophenyl ether; D00339; 2,5-Trichlorophenyl .gamma.-iodopropargil ether; 2,5-Trichlorophenyl .gamma.-iodopropargyl ether; 777H117; 1,2,4-trichloro-5-(3-iodoprop-2-ynyloxy)benzene; Q5643439; 1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene; Benzene,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]-; BRD-K13238168-001-01-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100071	.	.	.	.	361.4	C9H4Cl3IO	9.2	247	4.6	14	0	1	2	"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2"	C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI	CTETYYAZBPJBHE-UHFFFAOYSA-N
DG50099	Hexachlorophene	3598	"hexachlorophene; 70-30-4; Hexachlorofen; Hexachlorophen; Nabac; pHisoHex; Almederm; Exofene; Fostril; Gamophene; Hexophene; Steraskin; Tersaseptic; Acigena; Dermadex; Distodin; Gamophen; Hexabalm; Hexafen; Phisodan; Septisol; Septofen; Surofene; Hexide; Steral; Turgex; Germa-Medica; Surgi-Cen; Surgi-Cin; Cotofilm; Ritosept; Hexosan; Fomac; Fesia-sin; Soy-dome; Ster-zac; Neosept V; G-Eleven; Hexachlorophane; Hexascrub; Bilevon; Phiso-Scrub; Septi-Soft; Hexa-Germ; TRICHLOROPHENE; Hexaclorofeno; Armohex; Hexachlorophenum; Compound G-11; 6,6'-Methylenebis(2,4,5-trichlorophenol); Nabac 25 ec; Staphene O; Solu-Heks; Esaclorofene; G-II; 2,2'-Methylenebis(3,4,6-trichlorophenol); At-17; Rcra waste number U132; 2,2'-methanediylbis(3,4,6-trichlorophenol); AT-7; Bis(2-hydroxy-3,5,6-trichlorophenyl)methane; Bis(3,5,6-trichloro-2-hydroxyphenyl)methane; Isobac; NCI-C02653; G-11; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol; UNII-IWW5FV6NK2; 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane; Phenol, 2,2'-methylenebis[3,4,6-trichloro-; 2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane; MLS000028433; SMR000058356; IWW5FV6NK2; Isobac 20; B 32; MLS002152906; CHEBI:5693; Pre-Op; 2,2'-Methylenebis[3,4,6-trichlorophenol]; Bivelon; Trisophen; Phenol, 2,2'-methylenebis(3,4,6-trichloro-; Hexaphene-LV; Hilo Flea Powder; MFCD00002171; Enditch Pet Shampoo; NCGC00091195-04; 3,3',5,5',6,6'-Hexachloro-2,2'-dihydroxydiphenylmethane; Fascol; 6,6-Methylenebis(2,4,5-trichlorophenol); Esaclorofene [DCIT]; Hexachlorofen [Czech]; Hilo Cat Flea Powder; DSSTox_CID_690; 2,4,6-trichlorophenol]; 2,5,6-trichlorophenol); Scrubteam Surgical Spongebrush; PRE-OP II; Pedigree Dog Shampoo Bar; DSSTox_RID_75738; DSSTox_GSID_20690; Hexaclorofeno [INN-Spanish]; C13H6Cl6O2; Hexachlorophenum [INN-Latin]; Caswell No. 566; Blockade Anti Bacterial Finish; AT 7; B 32 (VAN); Bis-2,5-trichlor-6-hydroxyfenylmethan; CAS-70-30-4; Methane,3,5-trichloro-6-hydroxyphenyl); B & b Flea Kontroller for Dogs Only; CCRIS 331; Bis(2-hydroxy-3,6-trichlorophenyl)methane; Bis(3,6-trichloro-2-hydroxyphenyl)methane; Phenol,2'-methylenebis[3,4,6-trichloro-; Phenol,2'-methylenebis[3,5,6-trichloro-; WLN: QR BG DG EG F1R BQ CG EG FG; HSDB 224; 2,3',5,5',6,6'-hexachlorodiphenylmethane; 2,5,6,3',5',6'-hexachlorodiphenylmethane; SR-01000721924; Brevity Blue Liquid Sanitizing Scouring Cream; En-Viron D Concentrated Phenolic Disinfectant; EINECS 200-733-8; NSC 49115; UN2875; Hexachlorophene [UN2875] [Poison]; Phenol, 2,2'-methylenebis(3,4,6-trichloro)-; RCRA waste no. U132; Brevity Blue Liquid Bacteriostatic Scouring Cream; 2,3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane; EPA Pesticide Chemical Code 044901; Bis-2,3,5-trichloro-6-hydroxyfenylmethan [Czech]; Hexachlorophene (USP/INN); BRN 2064407; Bis-2,3,5-trichloro-6-hydroxyfenylmethan; AI3-02372; Hexachlorophenone; Thera-Groom Pet Shampoo for Dogs for Veterinary Use Only; 2,2'-Methylene bis(3,4,6-trichlorophenol); Hexachlorophene [USP:INN:BAN]; Bis(3,5,6-trichloro-2-hydroxyphenyl)-methane; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl); KUC106447N; Methane, bis(2,3,5-trichloro-6-hydroxyphenyl)-; Phisohex (TN); KSC-19-051; Spectrum_000867; Bis-2,3,5-trichlor-6-hydroxyfenylmethan; Opera_ID_504; Spectrum2_001105; Spectrum3_000450; Spectrum4_000573; Spectrum5_000792; M0219; CHEMBL496; cid_3598; REGID_for_CID_3598; SCHEMBL15579; BSPBio_002100; KBioGR_001006; KBioSS_001347; MLS001148404; BIDD:ER0608; BIDD:GT0722; DivK1c_000630; SPECTRUM1500328; SPBio_001210; AMY389; DTXSID6020690; BDBM31712; GTPL11069; HMS501P12; KBio1_000630; KBio2_001347; KBio2_003915; KBio2_006483; KBio3_001320; NSC9887; NINDS_000630; HMS1920D07; HMS2091J13; HMS3259C19; HMS3715P21; KUC112427N; Pharmakon1600-01500328; NSC-9887; NSC49115; ZINC1530968; Tox21_111099; Tox21_201350; Tox21_302741; 0895AC; 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxy-phenyl)methyl]phenol; CCG-39768; NSC-49115; NSC757055; s4632; STK377478; AKOS005449243; Tox21_111099_1; CS-3866; DB00756; MCULE-3028228047; NC00512; NSC-757055; UN 2875; IDI1_000630; NCGC00091195-01; NCGC00091195-02; NCGC00091195-03; NCGC00091195-05; NCGC00091195-06; NCGC00091195-07; NCGC00091195-08; NCGC00256580-01; NCGC00258902-01; AS-10068; BP-30177; HY-12637; Inh 1 [PMID: 32284327]; KSC-285-117-1; SBI-0051403.P003; Hexachlorophene 5000 microg/mL in Methanol; FT-0626955; 2,2'-Methylenebis(3,4,6-trichlorophenol); ; bis(3,5,6-trichloro-2-hydroxy phenyl)methane; Bis-(2-hydroxy-3,5,6-trichlorophenyl)methane; C08039; D00859; MLS-0072923.0001; AB00052010_17; Bis[3,4,6-trichlorophenol], 2,2'-methylene-; Hexachlorophene 5000 microg/mL in Dichloromethane; Hexachlorophene, PESTANAL(R), analytical standard; Q425362; SR-01000721924-2; SR-01000721924-5; SR-01000721924-6; BRD-K99792991-001-02-6; BRD-K99792991-001-18-2; Hexachlorophene, United States Pharmacopeia (USP) Reference Standard; 139411-96-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757055	.	.	.	.	406.9	C13H6Cl6O2	40.5	328	7.5	21	2	2	2	"InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2"	C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	ACGUYXCXAPNIKK-UHFFFAOYSA-N
DG50101	Hinokitiol	3611	"hinokitiol; beta-Thujaplicin; 499-44-5; 4-Isopropyltropolone; Hinokitol; beta-Thujaplicine; THUJAPLICIN, BETA; Tropolone, 4-isopropyl-; 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; beta-Isopropyltropolon; Isopropyltropolone; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; .beta.-Thujaplicin; beta-Isopropyltropolone; .beta.-Isopropyltropolon; b-Thujaplicin; 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one; UNII-U5335D6EBI; NSC 18804; .beta.-Thujaplicine; 2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one; NSC18804; 2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one; CHEMBL48310; MLS001048906; 2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; Hinokitiol 4-Isopropyltropolone; U5335D6EBI; 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one; CHEBI:10447; SMR000387099; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-ISOPROPYL-; EINECS 207-880-7; BRN 2045206; ss-Thujaplicine; AI3-28398; beta -thujaplicin; beta -thujaplicine; 6-Isopropyl-tropolon; Thujaplicin, .beta.; 2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one; 4-isopropyl-tropolone; beta -isopropyltropolon; beta-Thujaplicin, 99%; 4(6)-Isopropyltropolone; NCIMech_000141; cid_3611; BSPBio_001025; KBioGR_000365; KBioSS_000365; 4-08-00-00488 (Beilstein Handbook Reference); BIDD:ER0491; SCHEMBL158795; SPECTRUM1505160; 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one; DTXSID6043911; BDBM79632; FUWUEFKEXZQKKA-UHFFFAOYSA-; KBio2_000365; KBio2_002933; KBio2_005501; KBio3_000709; KBio3_000710; WLN: L7VJ BQ DY1&1; AMY3994; Bio2_000343; Bio2_000823; HMS1362C07; HMS1792C07; HMS1990C07; HMS2269D23; HMS3403C07; HY-B2230; BBL036671; BDBM50330794; CCG-35378; MFCD00040180; NSC-18804; s4771; STL559050; ZINC95911093; AKOS015895184; AKOS037515521; CS-7724; KS-5297; IDI1_002098; QTL1_000044; NCGC00094565-01; NCGC00094565-02; NCGC00094565-03; NCGC00094565-04; NCGC00094565-05; NCGC00179338-01; NCI60_001565; DB-051705; FT-0603426; H0142; V0549; C09904; C75327; D04876; beta-Thujaplicin, SAJ special grade, >=99.0%; 2-Hydroxy-4-isopropyl-2,6-cycloheptatrien-1-one; 2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone; 2-Hydroxy-6-isopropyl-2,4,6-cycloheptene-1-one; 499H445; A923788; SR-01000737397; 2,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-; 2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one; J-521461; Q2705171; SR-01000737397-2; 2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one; 2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one; BRD-K37691127-001-02-2; 2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone; 2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; Z2671848059; 2,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-; (2E,4Z,6Z)-2-hydroxy-4-isopropylcyclohepta-2,4,6-trienone; 2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18804	.	.	.	.	164.2	C10H12O2	37.3	280	2.1	12	1	2	1	"InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC(=O)C(=CC=C1)O	FUWUEFKEXZQKKA-UHFFFAOYSA-N
DG50102	Hexamethylene bisacetamide	3616	"3073-59-4; Hexamethylene bisacetamide; Hexamethylenebisacetamide; N,N'-(Hexane-1,6-diyl)diacetamide; N,N'-Hexamethylenebisacetamide; N,N'-DIACETYL-1,6-DIAMINOHEXANE; Hexamethylenediacetamide; N-(6-acetamidohexyl)acetamide; N,N'-Diacetylhexamethylenediamine; NSC-95580; Acetamide, N,N'-1,6-hexanediylbis-; ACETAMIDE, N,N'-HEXAMETHYLENEBIS-; NSC 95580; N-[6-(Acetylamino)hexyl]acetamide; UNII-LA133J59VU; n,n'-hexamethylenebis(acetamide); NSC95580; MLS000069460; LA133J59VU; N,N'-hexane-1,6-diyldiacetamide; N, N'-Diacetylhexamethylenediamine; MFCD00008684; diacetyldiaminohexane; SMR000059046; N-(6-(Acetylamino)hexyl)acetamide; CCRIS 7677; N,N'-1,6-Hexanediylbisacetamide; BRN 1775764; Hexabid; N,N'-hexamethylene-bis-acetamide; N,N-Diacetyl-1,6-Diaminohexane; Hexamethylene Biscetamide; Opera_ID_1675; NCIMech_000063; hexamethylene bis(acetamide); SCHEMBL61980; 4-04-00-01331 (Beilstein Handbook Reference); MLS000758275; MLS001074182; MLS001424034; Acetamide,N'-hexamethylenebis-; CHEMBL291481; DTXSID2041044; N,N'-Hexamethylenebis-Acetamide; N-{6-[(1-hydroxyethylidene)amino]hexyl}ethanimidic acid; Acetamide,N'-1,6-hexanediylbis-; CHEBI:125472; HMS2051E17; HMS2231F06; HMS3371N10; HMS3393E17; N,N'-Hexamethylene bis(acetamide); N,N'-1,6-Hexanediylbis-Acetamide; ZINC1615894; Acetamide,N,N'-1,6-hexanediylbis-; CCG-35337; STL282666; AKOS003422084; Acetamide, N,N'-1, 6-hexanediylbis-; MCULE-8416060174; NC00059; NCGC00018146-01; NCGC00018146-02; NCGC00018146-03; AMY202003295; AS-62044; N,N'-Hexamethylene bis(acetamide), 98%; NCI60_042129; CS-0086103; FT-0629398; Acetamide, N,N'-1,6-hexanediylbis- (9CI); D81997; A876102; J-018089; N-(6-(Acetylamino)hexyl)acetamide (ACD/Name 4.0); Q3732771; 5D4; N,N-Hexamethylenebis(acetamide),                                  (N,N-Diacetyl-1,6-hexadiamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95580	.	.	.	.	200.28	C10H20N2O2	58.2	161	0.3	14	2	2	7	"InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)"	CC(=O)NCCCCCCNC(=O)C	BNQSTAOJRULKNX-UHFFFAOYSA-N
DG50103	Ethidium	3624	"Ethidium; homidium; Novidium; Ethidium cation; 3546-21-2; UNII-EN464416SI; 3,8-Diamino-5-ethyl-6-phenylphenanthridinium; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; CHEBI:42478; EN464416SI; AB00053825_07; CHEMBL284328; NSC84423; NSC522843; 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-; BRN 3627183; Babidium; Homidium cation; Homidium ion; Spectrum_001500; Spectrum2_001587; Spectrum4_000198; Spectrum5_001263; UPCMLD-DP076; NCIMech_000529; cid_3624; Piperine & Ethidium bromide; NCIOpen2_009324; 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium; Reserpine & Ethidium bromide; SCHEMBL27609; KBioGR_000775; KBioSS_001980; 5-22-11-00352 (Beilstein Handbook Reference); CHEMBL48166; DivK1c_000940; SPBio_001554; GTPL4569; DTXSID9048487; UPCMLD-DP076:001; KBio1_000940; KBio2_001980; KBio2_004548; KBio2_007116; NINDS_000940; BDBM200295; ZINC119632; BDBM50105463; CCG-35561; MCULE-8317114203; RD-1572; IDI1_000940; NCGC00091387-03; NCGC00091387-04; NCGC00091387-05; NCGC00091387-06; NCI60_002180; NCI60_041857; SBI-0051843.P002; Q27077234"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84423	.	.	.	.	314.4	C21H20N3+	55.9	419	4.2	24	2	2	2	"InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1"	CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N	QTANTQQOYSUMLC-UHFFFAOYSA-O
DG50104	Hydroxychloroquine	3652	"hydroxychloroquine; 118-42-3; Plaquenil; Oxichloroquine; Hidroxicloroquina; Hydroxychloroquinum; oxichlorochine; Polirreumin; WIN 1258; 2-((4-((7-Chloro-4-quinolyl)amino)pentyl)ethylamino)ethanol; 2-((4-((7-Chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethanol; 7-Chloro-4-(4-(ethyl(2-hydroxyethyl)amino)-1-methylbutylamino)quinoline; Oxychlorochin; CHEBI:5801; 2-(N-(4-(7-Chlor-4-chinolylamino)-4-methylbutyl)ethylamino)ethanol; 7-Chloro-4-(4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino)quinoline; Oxichlorochinum; 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol; HCQ; 2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol; 7-Chloro-4-(5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl)aminoquinoline; NSC4375; Ethanol, 2-((4-((7-chloro-4-quinolinyl)amino)pentyl)ethylamino)-; MFCD00242707; Idrossiclorochina [DCIT]; Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-; Idrossiclorochina; 2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol; Hidroxicloroquina [INN-Spanish]; Hydroxychloroquinum [INN-Latin]; Hydroxychloroquine [INN:BAN]; 2-[[4-[(7-chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol; 2-{N-[4-(7-Chloro-4-quinolylamino)pentyl]-N-ethylamino}ethanol; Ethanol, 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-; 7-chloro-4-[4-(N-ethyl-N-beta-hydroxyethylamino)-1-methylbutylamino]quinoline; 7-chloro-4-[5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl]aminoquinoline; Polirreumin (TN); NCGC00159483-02; Hydroxychloroquine (INN); EINECS 204-249-8; HYDROXY CHLOROQUINE; BRN 0253894; Dolquine; Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-; R-Hydroxychloroquine; Ercoquin (Salt/Mix); Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1); (+-)-hydroxychloroquine; Spectrum2_001238; Spectrum5_001697; (+/-)-hydroxychloroquine; SCHEMBL8170; CHEMBL1535; 5-22-10-00280 (Beilstein Handbook Reference); (.+/-.)-Hydroxychloroquine; DivK1c_000942; SPBio_001116; GTPL7198; DTXSID8023135; HMS502P04; KBio1_000942; Win 1258-2; NINDS_000942; 2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethanol; 2-[[4-[(7-Chloro-4-quinolyl)amino]pentyl](ethyl)amino]ethanol; ALBB-022466; BCP30197; 2-({4-[(7-chloro(4-quinolyl))amino]pentyl}ethylamino)ethan-1-ol; BDBM50467780; STL429829; AKOS015997886; AT13123; CCG-208059; DB01611; DT-0016; HY-W031727; MCULE-6282304706; SB73036; IDI1_000942; NCGC00159483-03; NCGC00159483-06; M566; SY270913; SBI-0052759.P002; CS-0075751; FT-0627143; FT-0669455; FT-0669456; C07043; D08050; AB00053257_02; 118H423; Q421094; BRD-A99117172-065-01-6; BRD-A99117172-065-02-4; F2173-0553; 2-((4-(7-chloroquinolin-4-ylamino)pentyl)(ethyl)amino)ethanol; 2-[(4-[(7-Chloro-4-quinolinyl)amino]pentyl)(ethyl)amino]ethanol #; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]-quinoline; 7-chloro-4-[4-[ethyl(2-hydroxyethyl)amino]1-methylbutylamino]quinoline; 7-Chloro-4-(4-(N-ethyl-N-.beta.-hydroxyethylamino)-1-methylbutylamino)quinoline; Oxichloroquine;Oxychlorochin;2-[[4-[(7-Chloroquinolin-4-yl)amino]pentyl](ethyl)amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4375	.	.	.	.	335.9	C18H26ClN3O	48.4	331	3.6	23	2	4	9	"InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)"	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	XXSMGPRMXLTPCZ-UHFFFAOYSA-N
DG50106	Hypericin	3663	"hypericin; 548-04-9; Hypericum red; hipericina; hypericine; Hyperizin; Cyclosan; Mycoporphyrin; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione; Hypericin (SGX301); Cyclo-Werol; Hypericum Extract; VIMRxyn; UNII-7V2F1075HD; NSC407313; Hypericin & Visible light; 7V2F1075HD; MFCD00016683; NSC622946; Cyclo werrol; 5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione; 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione; hexahydroxy(dimethyl)[ ]dione; 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione; Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-; C30H16O8; EINECS 208-941-0; NSC 407313; NSC 622946; CCRIS 8166; (component of) Hypericum spp (st. John's wort); BiomolKI_000032; 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethyl-mesonapthtodianthron; BiomolKI2_000040; SCHEMBL3182; BIDD:PXR0084; BMK1-D8; SCHEMBL10262695; DTXSID40203270; Hypericin - CAS 548-04-9; Hypericin from Hypericum perforatum; HY-N0453; ZINC3780340; BDBM50060874; CCG-36081; HSCI1_000202; LMPK13040001; AKOS015895658; AC-6048; CS-5687; MCULE-7319800130; NSC-622946; NCGC00162454-01; NCGC00163378-01; NCGC00163378-02; AS-74733; NCI60_003879; NCI60_006799; NCGC00163378-03!; FT-0627169; N2739; C07606; M01850; 548H049; A870351; SR-05000002344; Hypericin from Hypericum perforatum, ~95% (HPLC); Hypericin, primary pharmaceutical reference standard; Q-100618; SR-05000002344-2; BRD-K29673530-001-03-9; Hypericin Hypericum perforatum; Hypericin; St. John'S Wort Extract; 3,4,6,7,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,8-dione; 3,4,7,8,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,6-dione; 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9CI; 1,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro [1,10,9,8-opqra]perylene-7,14-dione P-conformer; 5,7,11,18,22,24-HEXAHYDROXY-13,16-DIMETHYLOCTACYCLO[13.11.1.1(2),(1) .0(3), .0 ,(2) .0(1) ,(2) .0(2)(1),(2) .0(1) ,(2) ]OCTACOSA-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-TRIDECAENE-9,20-DIONE; Phenanthro[1,10,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer; Phenanthro[1,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407313	.	.	.	.	504.4	C30H16O8	156	1090	5.7	38	6	8	0	"InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3"	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O	YDOIFHVUBCIUHF-UHFFFAOYSA-N
DG50108	Dendrid	3687	"Dendrid; Ophthalmadine; Spectanefran; Herpesil; Herpidu; Iducher; Iduviran; Synmiol; Emanil; Idexur; Idulea; Idu Oculos; Herplex liquifilm; Idoxene; Iduridin; Kerecid; Stoxil; Uridine, 5-iodo-2'-deoxy-; MLS002702846; CHEMBL268690; URIDINE, 2'-DEOXY-5-IODO-; 5-Iododesoxyuridine; 1.beta.-D-2'-Deoxyribofuranosyl-5-iodouracil; Uracil, 5-iodo-1-(2-deoxy-.beta.-D-ribofuranosyl)-; XQFRJNBWHJMXHO-UHFFFAOYSA-; 5-Iodo-deoxyuridine; NSC 39661; SKF 14287; SK&F 14287; 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione; Iododeoxyuridine; Herpe-Gel; 5-iodo-2 inverted exclamation mark -Deoxyuridine; Gallaminetriethiodide; 5-Iodo-2 -deoxyuridine; ChemDiv1_027236; cid_3687; Oprea1_780054; SCHEMBL654667; SCHEMBL21585076; HMS664F22; HMS3369H05; HMS3655A20; NSC39661; BDBM50016788; STK673655; AKOS003631534; AKOS005593282; MCULE-3556782579; 1-(4-Hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-iodo-1H-pyrimidine-2,4-dione; LS-13625; NCI60_003716; SMR001330614; SY015040; WLN: T6NVMVJ EI A- ET5OTJ B1Q CQ; EU-0051633; FT-0620507; FT-0670277; FT-0670278; VU0489326-1; AB00674532-01; 1-(2-Deoxy-.beta.-D-ribofuranosyl)-5-iodouracil; SR-01000517285; SR-01000517285-1; 1-(2-deoxypentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one; 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione (IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione( IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione(IDU); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione(IdUrd); 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione (c-5-iodo-2-deoxyuridine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39661	.	.	.	.	354.1	C9H11IN2O5	99.1	386	-1	17	3	5	2	"InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)"	C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O	XQFRJNBWHJMXHO-UHFFFAOYSA-N
DG50110	Indirubin-3'-monoxime	3707	"INDIRUBIN-3'-MONOXIME; indirubin-3'-oxime; 160807-49-8; Indirubin-3-monoxime; indirubin-3-oxime; Indirubin-3monoxime; 3-[3-(Hydroxyamino)-1H-indol-2-yl]indol-2-one; Indirubin 3'-monoxime; Indirubin 3-oxime; CHEBI:43645; indirubin-3'-monooxime; 667463-82-3; CHEMBL126077; CHEMBL216543; (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME; 3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one; MFCD02683594; 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one; (2Z,3E)-3-(Hydroxyimino)-[2,3'-biindolinylidene]-2'-one; Indirubin-3 inverted exclamation marka-oxime; UNM-0000305771; 1H,1'H-[2,3']biindolylidene3,2'-dione-3-oxime; IXM; SR-01000075929; Indirubin-3; Indirubin-3a oxime; Tocris-1813; BiomolKI_000070; Lopac-I-0404; BiomolKI2_000074; 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol; Lopac0_000619; BSPBio_001108; KBioGR_000448; KBioSS_000448; SCHEMBL378779; BMK1-G10; GTPL5989; SCHEMBL1574499; CHEMBL1496098; SCHEMBL12005849; SCHEMBL13046776; SCHEMBL13714093; BCBcMAP01_000150; BDBM54681; CHEBI:92352; cid_5326739; KBio2_000448; KBio2_003016; KBio2_005584; KBio3_000835; KBio3_000836; DTXSID90416111; 1q41; Bio2_000394; Bio2_000874; HMS1362H09; HMS1792H09; HMS1990H09; HMS3229C06; HMS3260M14; HMS3268I10; HMS3403H09; HMS3412J10; HMS3676J10; BCP14390; Tox21_500146; 1800AH; BDBM50132003; BDBM50166289; HSCI1_000200; NSC717829; s2009; ZINC18279871; AKOS015910263; AKOS024456796; AKOS030241899; AKOS037647459; ZINC100001998; ZINC100116081; ZINC100382229; ZINC299888368; ZINC299888369; CCG-100674; CS-5425; DB02052; Indirubin-3-monoxime;Indirubin-3-oxime; LP00146; NSC-717829; SDCCGSBI-0050601.P003; 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-; IDI1_002149; NCGC00015545-01; NCGC00015545-02; NCGC00015545-03; NCGC00015545-04; NCGC00015545-05; NCGC00015545-06; NCGC00015545-07; NCGC00015545-08; NCGC00025304-01; NCGC00025304-02; NCGC00025304-03; NCGC00025304-04; NCGC00025304-05; NCGC00260831-01; AC-30025; AS-73725; BS-51837; HY-19807; NCI60_040633; HY-139254; B6865; CS-0182654; EU-0100619; FT-0670332; Indirubin-3'-oxime, >=98% (HPLC), solid; I 0404; Indirubin-3 inverted exclamation mark -monoxime; K00076; Indirubin-3'-monoxime - CAS 160807-49-8; 3-[3-(hydroxyamino)-1H-indol-2-yl]-2-indolone; 3-[3-(oxidanylamino)-1H-indol-2-yl]indol-2-one; A927883; 3-(3-(hydroxyimino)indolin-2-ylidene)indolin-2-one; J-009757; SR-01000075929-1; SR-01000075929-3; BRD-K19136521-001-01-4; BRD-K53959060-001-01-3; Q27078054; Q27461594; (2Z)-2-(2-Oxoindoline-3-ylidene)indoline-3-one oxime; 1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime; 3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one; (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime; (2E,3E)-3-(hydroxyimino)-[2,3'-biindolinylidene]-2'-one; (3Z)-3-[(3E)-3-hydroxyiminoindolin-2-ylidene]indolin-2-one; (Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime; 1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime; (Z)-1H,1''''H-[2,3'''']Biindolylidene-3,2''''-dione 3-oxime; 3-(hydroxyimino)-1',2'-dihydro-1H,3H-[2,3'-biindolyliden]-2'-one; (3Z)-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one; 2H-Indol-2-one, 3-[1,3-dihydro-3-(hydroxyamino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)-; 3-[(3E)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717829	.	.	.	.	277.28	C16H11N3O2	81.2	405	3.2	21	3	3	1	"InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H"	C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O	FQCPPVRJPILDIK-UHFFFAOYSA-N
DG50111	Iodoquinol	3728	"iodoquinol; 83-73-8; Diiodohydroxyquinoline; 5,7-diiodoquinolin-8-ol; 5,7-Diiodo-8-hydroxyquinoline; 5,7-Diiodo-8-quinolinol; Diiodoquin; DIIODOHYDROXYQUIN; Diodoquin; Yodoxin; Lanodoxin; Searlequin; Sebaquin; 8-Quinolinol, 5,7-diiodo-; Ioquin; Zoaquin; Diodohydroxyquin; Dijodoxichinoline; Enterodiamoebin; Diamoebin; Dinoleine; Diodoquine; Diodoxylin; Direxiode; Disoquin; Embequin; Enterosept; Floraquin; Fluoraquin; Moebiquin; Quinadome; Dyodin; Di-quinol; Stanquinate; Rafamebin; 5,7-Diiodo-oxine; Ioquin suspension; Dijodoxichinolinum; 8-Hydroxy-5,7-diiodoquinoline; 5,7-Diodo-8-quinolinol; Diodoxyquinoleine; Diiodoidrossichinolina; Panaquin; Diiodohidroxiquinoleina; Diiodohydroxyquinoleine; Diiodohydroxyquinolinum; SS 578; NSC 8704; UNII-63W7IE88K8; 5,7-Diiod-8-chinolinol [IUPAC]; MLS000069404; CHEBI:5950; 63W7IE88K8; NSC-8704; MMV002817; NCGC00018098-04; SMR000059090; DSSTox_CID_3155; DSSTox_RID_76894; Diiodohydroxyquinoline (INN); Diiodohydroxyquinoline [INN]; DSSTox_GSID_23155; C9H5I2NO; Caswell No. 354; Iodoquinol;5,7-Diiodo-8-hydroxyquinoline;5,7-Diiodo-8-quinolinol; CAS-83-73-8; Diiodoidrossichinolina [DCIT]; HSDB 3224; SR-01000002969; Diiodohydroxyquinolinum [INN-Latin]; Iodoquinol [USAN:USP]; Diiodohydroxyquinoleine [INN-French]; EINECS 201-497-9; 5,7-Diiod-8-chinolinol; Diiodohidroxiquinoleina [INN-Spanish]; EPA Pesticide Chemical Code 024003; BRN 0153639; Searlewuin; Meobiquin; Enterodiamoebine; AI3-16443; 5,7-Diiodooxine; component of Vytone; Iodoquinol (USP); Yodoxin (TN); MFCD00006789; Spectrum_000943; 8-Quinolinol,7-diiodo-; Spectrum2_001041; Spectrum3_000470; Spectrum4_000020; Spectrum5_000872; 4,7-Diiodo-8-quinolinol; bmse000836; EC 201-497-9; cid_3728; SCHEMBL3460; BSPBio_002180; CBDivE_011080; KBioGR_000399; KBioSS_001423; ksc-8-193; CHEMBL86754; DivK1c_000119; SPECTRUM1500353; SPBio_000962; DTXSID6023155; 5,7-bis(iodanyl)quinolin-8-ol; BDBM66035; HMS500F21; KBio1_000119; KBio2_001423; KBio2_003991; KBio2_006559; KBio3_001400; UXZFQZANDVDGMM-UHFFFAOYSA-; NSC8704; NINDS_000119; WLN: T66 BNJ GI II JQ; HMS1920H05; HMS2091N15; HMS2230G24; HMS3369C20; KUC105860N; Pharmakon1600-01500353; HY-B1400; ZINC3830942; Tox21_110823; CCG-40132; NSC757077; s4565; SS-578; STK070581; AKOS000120804; Tox21_110823_1; 5,7-Diiodo-8-hydroxyquinoline, 97%; CS-4910; DB09115; Iodoquinol (5,7-Diiodoquinolin-8-ol); MCULE-6767985681; NSC-757077; IDI1_000119; NCGC00018098-01; NCGC00018098-02; NCGC00018098-03; NCGC00018098-05; NCGC00018098-07; NCGC00018098-08; NCGC00021685-03; NCGC00021685-04; DS-17759; K494; SBI-0051417.P003; DB-056739; AM20061527; D1736; FT-0619847; C07636; D00581; F12461; AB00052024_12; AN-329/13210059; Q5276473; SR-01000002969-2; SR-01000002969-5; BRD-K75855670-001-06-8; F3034-0058; Iodoquinol, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8704	.	.	.	.	396.95	C9H5I2NO	33.1	191	3.1	13	1	2	0	"InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H"	C1=CC2=C(C(=C(C=C2I)I)O)N=C1	UXZFQZANDVDGMM-UHFFFAOYSA-N
DG50112	"Methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate"	3757	"NSC238181; methyl 15-(acetyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate; DTXSID80968432"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	238181	.	.	.	.	480.5	C23H28O11	166	1020	-1	34	3	11	4	"InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3"	CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O	WAYNIXHIORQRDI-UHFFFAOYSA-N
DG50113	Sporanox	3793	"itraconazole; 84625-61-6; Canditral; Itrizole; Sporanox; Traconal; Triasporin; Itraconazolum [Latin]; ITRAZOLE; Itraconazol; Candistat; Itralek; Sporamelt; Sporonox; Itrac; MLS000863291; Spherazole CR; Spherazole IR; SMR000058959; 1-(Butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one; 1217512-35-0; R 51211; R-51211; 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one; 2049588-24-9; 4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one; SR-01000003153; Fungitraxx; Itraconzaole; Itraconazole-d3; trans Itraconazole; NSC-759239; Itraconazole,(S); NCGC00018268-03; 252964-65-1; 4-(4-(4-(4-((2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-sec-butyl-1H-1,2,4-triazol-5(4H)-one; Cladosal 100; Itraconazole solution; Opera_ID_902; R 51,211; SCHEMBL95627; MLS000028582; MLS000759472; MLS001148245; MLS001424065; CHEMBL64391; Itraconazole, >=98% (TLC); SCHEMBL16984893; CHEBI:94366; HMS2051K14; HMS2090M20; HMS2235M11; HMS3370P13; HMS3393K14; HMS3713B16; 4-(4-(4-(4-((2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(sec-butyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; BCP28497; BDBM50011478; DL-427; MFCD00870168; NSC754771; STL450986; AKOS000280875; AKOS022171690; CCG-100876; CCG-220567; NC00126; NSC-754771; NCGC00018268-02; NCGC00018268-05; NCGC00018268-06; NCGC00089812-03; BI164594; CS-0242228; FT-0601621; FT-0670576; I0732; J10270; O11835; AB00383031-14; 625I616; Itraconazole, Antibiotic for Culture Media Use Only; J-015921; Q-201261; SR-01000003153-5; SR-01000003153-6; Q27166205; Itraconazole, European Pharmacopoeia (EP) Reference Standard; Itraconazole, United States Pharmacopeia (USP) Reference Standard; Itraconazole for system suitability, European Pharmacopoeia (EP) Reference Standard; Itraconazole, Pharmaceutical Secondary Standard; Certified Reference Material; (+/-)-4-[4-[4-[4-[[(2R,4S)-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one; (+/-)-cis-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]-methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3h-1,2,4-triazol-3-one; 2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754771	.	.	.	.	705.6	C35H38Cl2N8O4	101	1120	5.7	49	0	9	11	"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3"	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	VHVPQPYKVGDNFY-UHFFFAOYSA-N
DG50114	Kenpaullone	3820	"kenpaullone; 142273-20-9; 9-Bromopaullone; NSC 664704; 9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; NSC-664704; 9-bromo-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one; 9-Bromopaullone;NSC-664704; NSC664704; MLS002702152; CHEMBL296586; 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one; Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihydro-; MFCD02683595; 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Bromo-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one; SR-01000075952; Bromo Paullone; Paullone Analog 5; Kinome_3565; Tocris-1398; Kenpaullone, >=98%; BiomolKI_000072; Lopac-K-3888; BiomolKI2_000076; NCIMech_000735; cid_3820; Lopac0_000647; SCHEMBL79889; NSC-664704(Kenpaullone); BDBM7266; GTPL6000; STO175; CHEBI:92658; DTXSID10161994; EX-A702; BCPP000195; HMS3229K10; HMS3262A15; HMS3267F14; HMS3412M10; HMS3650F17; HMS3676M10; 9-Bromo-7,12-dihydro-indolo-[3,2-d]-[1]benzazepin-6(5H)-one; BCP02440; ZINC1639355; Tox21_500647; CCG-35778; CCG-36383; HSCI1_000038; s7917; AKOS024456573; BCP9000809; CS-5049; Indolo[3, 9-bromo-7,12-dihydro-,; LP00647; SDCCGSBI-0050627.P004; Kenpaullone - CAS 142273-20-9; SMP2_000306; NCGC00015582-01; NCGC00015582-02; NCGC00015582-03; NCGC00015582-04; NCGC00015582-05; NCGC00015582-06; NCGC00015582-18; NCGC00025143-01; NCGC00025143-02; NCGC00025143-03; NCGC00025143-04; NCGC00261332-01; AC-32896; AS-70762; HY-12302; NCI60_022295; SMR001456311; B6720; BB 0301260; EU-0100647; FT-0670607; K0052; X5716; F17055; K 3888; K00061; J-007630; J-521618; SR-01000075952-1; SR-01000075952-3; SR-01000075952-6; SR-01000075952-9; BRD-K37312348-001-04-4; BRD-K37312348-001-06-9; SR-01000075952-10; 9-bromo-7,12-dihydroindolo[3,2-d][1]-benzazepin-6(5h)-one; 8-Bromo-7,12-dihydro-indolo[3,2-d][1]-benzazepin-6(5H)-one; 14-BROMO-8,18-DIAZATETRACYCLO[9.7.0.0(2), .0(1)(2),(1) ]OCTADECA-1(11),2,4,6,12,14,16-HEPTAEN-9-ONE; 14-bromo-8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one; 14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one; NSC-664704; 9-Bromo-7,12-dihydr9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664704	.	.	.	.	327.17	C16H11BrN2O	44.9	402	3.3	20	2	1	0	"InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)"	C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br	QQUXFYAWXPMDOE-UHFFFAOYSA-N
DG50115	Furfuryladenosine	3832	"Furfuryladenosine; Riboside, kinetin; 6-Furfuryladenosine; Kinetin ribonucleoside; ADENOSINE, N-FURFURYL-; MLS002707095; Adenosine, N-(2-furanylmethyl)-; Ribosylkinetin; NSC 120958; CHEMBL18115; SCHEMBL217034; DTXSID20874669; (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol; BCP34390; NSC120958; AKOS003382320; MCULE-8607670669; NSC-120958; NCGC00094928-01; NCGC00094928-02; SMR001574490; FT-0621143; N6-Furfuryladenosine;6-Furfurylaminopurine riboside;Ribosylkinetin; 2-{6-[(2-furylmethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120958	.	.	.	.	347.33	C15H17N5O5	139	460	0.2	25	4	9	5	"InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)"	C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O	CAGLGYNQQSIUGX-UHFFFAOYSA-N
DG50116	"4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one"	3877	"MLS003373964; 141434-39-1; CIS-LAMIVUDINE; 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; ent-Lamivudine; CHEMBL141; NSC620753; 4-Amino-1-(cis-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one; NSC-760061; Lamivudine EP Impurity D; 2'-deoxy-3'-thiacytidine; cid_60825; SCHEMBL465678; CHEMBL441594; DTXSID10274412; HMS3393D21; HMS3655K21; Pharmakon1600-01503839; BCP06203; BDBM50039162; NSC760061; STL450993; 2-(3-Chloro-phenoxy)-propionic acid; AKOS025312824; AB07588; CCG-213211; MCULE-9770521872; NSC-620753; SB60468; NCI60_006139; SMR001496981; beta-L-2'',3''-dideoxy-3''-thiacytidine; FT-0601626; FT-0650554; FT-0667900; FT-0667904; FT-0670708; (-)-beta-2'',3''-dideoxy-3''-thiacytidine; AB01563290_01; (-)-beta-L-2'',3''-dideoxy-3''-thiacytidine; 1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine; F2173-0438; 4-Amino-1-((S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; (2R,CIS)-4-AMINO-1-[2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL])-(1H)PYRIMIDIN-2-ONE; (R)-4-Amino-1-((R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 1-(5-Hydroxy-4-mercapto-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione; 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-4-imino-1,4-dihydropyrimidin-2-ol; 4-Amino-1-((1S,3R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-((2S,5R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-on(3TC,Lamivudine); 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one (3TC); 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one [(2S,5R)-BCH-189]; 4-Amino-1-(2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one [BCH-189]; 4-amino-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-1,2-dihydro-2-pyrimidinone; 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one; 4-amino-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620753	.	.	.	.	229.26	C8H11N3O3S	113	331	-0.9	15	2	4	2	"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)"	C1C(OC(S1)CO)N2C=CC(=NC2=O)N	JTEGQNOMFQHVDC-UHFFFAOYSA-N
DG50117	Allocor	3879	"Celanide; 17575-22-3; Celanid; Digilanide C; Lanocide-C; Desacetyllanatoside; Allocor; Lanatigen C; NSC7533; NSC-7533; NSC-119991; Card-20(22)-enolide,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-; MLS002207214; CHEMBL110309; SCHEMBL18223891; NSC119991; AKOS026750171; SMP1_000175; NCGC00166137-01; NCGC00166137-02; LS-15494; NCI60_041651; SMR001306767; DB-044235; FT-0630440"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7533	.	.	.	.	985.1	C49H76O20	288	1870	0.2	69	8	20	12	"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3"	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O	JAYAGJDXJIDEKI-UHFFFAOYSA-N
DG50118	Lapachol	3884	"lapachol; 84-79-7; Greenhartin; Tecomin; Bethabarra wood; Lapachol wood; Taiguic acid; Taigu wood; IPE-tobacco wood; C.I. Natural Yellow 16; Greenharten; Lapachic acid; Surinam greenheart wood; Zlut prirodni 16; NSC 11905; NSC-11905; C.I. 75490; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone; NSC 629756; UNII-B221938VB6; 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione; NSC11905; NSC629756; 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione; 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-; CHEBI:6377; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-; B221938VB6; 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione; Tecomin (VAN); Zlut prirodni 16 [Czech]; CCRIS 745; EINECS 201-563-7; BRN 2051889; Groenhartin; 2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone; Lapachoic acid; Lapachol, 98%; Natural Yellow- 16; 1,4-Naphthalenedione,2-hydroxy-3-(3-methyl-2-buten-1-yl)-; Spectrum2_001451; Spectrum3_000768; Spectrum5_001873; bmse000989; NCIMech_000076; DSSTox_CID_29390; DSSTox_RID_83505; DSSTox_GSID_49430; Oprea1_717083; BSPBio_002416; 4-08-00-02487 (Beilstein Handbook Reference); CHEMBL15193; DivK1c_000594; SCHEMBL157255; SCHEMBL157256; SPECTRUM1501204; SPBio_001341; DTXSID6049430; HMS501N16; KBio1_000594; KBio3_001636; NINDS_000594; HMS1921B06; HMS3869D03; AMY40588; BCP24022; HY-N6961; ZINC3873071; Tox21_202948; CCG-35464; MFCD00001679; s5684; ZINC78934733; AKOS015951424; AKOS032948320; AC-8971; ACN-036176; CI75490; CS-W020951; MCULE-9211486718; NSC-629756; SDCCGMLS-0066666.P001; CAS-84-79-7; IDI1_000594; NCGC00094931-01; NCGC00094931-02; NCGC00094931-03; NCGC00094931-04; NCGC00094931-06; NCGC00260494-01; WLN: L66 BV EVJ CQ D2UY1&1; AS-35308; NCI60_000457; NCI60_000587; 1, 2-hydroxy-3-(3-methyl-2-butenyl)-; FT-0649649; W2146; A863979; Cancer Chemother Rep (part 2) 4: 11 (1974); Q739601; SR-05000002489; 2-Hydroxy-3-(3-methyl-2-butenyl)naphthoquinone #; SR-05000002489-1; NSC-11905; NSC 11905; NSC11905; 2-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione; 3-(3-Methyl-2-butenyl)-4-hydroxy-1,2-naphthoquinone; 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11905	.	.	.	.	242.27	C15H14O3	54.4	439	2.8	18	1	3	2	"InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,16H,8H2,1-2H3"	CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C	CWPGNVFCJOPXFB-UHFFFAOYSA-N
DG50119	Lavendustin A	3894	"Lavendustin A; 125697-92-9; UNII-3Y0G32G2RV; RG-14355; 5-[[(2,5-Dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid; 3Y0G32G2RV; CHEMBL103552; NSC 678027; RG 14355; 5-(((2,5-Dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acid; Benzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-; RG14355; 5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid; Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-; Lavendustin A, from Streptomyces griseolavendus; LAVENDUSTINA; BiomolKI_000009; BiomolKI2_000019; Benzoic acid,5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-; CBiol_002008; BMK1-B9; BSPBio_001191; KBioGR_000531; KBioSS_000531; SCHEMBL159085; CHEBI:92413; KBio2_000531; KBio2_003099; KBio2_005667; KBio3_000961; KBio3_000962; DTXSID00154855; Bio1_000294; Bio1_000783; Bio1_001272; Bio2_000426; Bio2_000906; HMS1362K13; HMS1792K13; HMS1990K13; HMS3403K13; BCP20666; ZINC3873083; 5-Amino-((N-2,5-dihydroxybenzyl)-N -2-hydroxybenzyl)salicylic acid; BDBM50038202; NSC678027; AKOS015914247; CCG-100613; NSC-678027; 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid; IDI1_002181; SMP2_000273; NCGC00162408-01; NCGC00162408-02; NCGC00162408-03; NCGC00162408-04; HY-18963; NCI60_027898; B6693; CS-0014682; FT-0627734; V0351; N17045; SR-05000002164; J-005265; SR-05000002164-2; BRD-K23583188-001-05-6; Q27164152; 5-amino-[(N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl]salicylic acid; 5-amino-[(N-2,5-dihydroxybenzyl)-N''-2-hydroxybenzyl]salicylic acid; 5-[(2,5-dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]- 2-hydroxy-benzoic acid; 5-[(2,5-Dihydroxy-benzyl)-(2-hydroxy-benzyl)-amino]-2-hydroxy-benzoic acid; Benzoic acid,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	678027	.	.	.	.	381.4	C21H19NO6	122	517	3.7	28	5	7	6	"InChI=1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)"	C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O	ULTTYPMRMMDONC-UHFFFAOYSA-N
DG50121	Lomustine	3950	"lomustine; 13010-47-4; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea; CCNU; Belustine; CeeNU; Cecenu; CINU; Chloroethylcyclohexylnitrosourea; Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-; Lomustina; Lomustinum; Lomustinum [INN-Latin]; Lomustina [INN-Spanish]; N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea; 1-(2-Chloroethyl)-3-cyclohexylnitrosourea; NSC 79037; Gleostine; Cyclohexyl chloroethyl nitrosourea; SRI 2200; NSC-79037; ICIG 1109; NCI-C04740; (Chloro-2-ethyl)-1-cyclohexyl-3-nitrosourea; RB 1509; (Cloro-2-etil)-1-cicloesil-3-nitrosourea; UNII-7BRF0Z81KG; NSC79037; Lomustine (CeeNU); 1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-; CHEBI:6520; Urea, 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-; 7BRF0Z81KG; CCNU; NSC 79037; 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea; NCGC00167466-01; DSSTox_CID_3222; 3-(2-chloroethyl)-1-cyclohexyl-3-nitrosourea; DSSTox_RID_76930; DSSTox_GSID_23222; C9H16ClN3O2; CCRIS 860; CAS-13010-47-4; CCNU [Chloroethyl nitrosoureas]; HSDB 6519; SR-05000001497; EINECS 235-859-2; BRN 2125058; (Cloro-2-etil)-1-cicloesil-3-nitrosourea [Italian]; Lomustine [USAN:INN:BAN]; AI3-52779; Gleostine (TN); Lomustine- Bio-X; Lomustine, >=98%; Lomustine (USP/INN); CCN-U; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea [Chloroethyl nitrosoureas]; CHEMBL514; NCIMech_000220; SCHEMBL3995; WLN: L6TJ AMVNNO&2G; GTPL7214; DTXSID2023222; HMS2090A17; HMS3655I16; Pharmakon1600-01502301; BCP06551; ZINC3831006; Tox21_112470; BDBM50247919; MFCD00012392; NSC759635; s1840; AKOS005766022; Tox21_112470_1; AC-8062; ACN-048517; CCG-213022; CS-1461; DB01206; DS-1269; NSC-759635; NCGC00167466-02; NCGC00167466-03; BL164634; H651; HY-13669; NCI60_041743; DB-017097; AM20070540; FT-0627972; L0251; SW220040-1; C07079; D00363; AB00173884-02; AB00173884-03; AB00173884-04; AB00173884_05; AB00173884_06; 010L474; A806019; Q415378; SR-05000001497-1; SR-05000001497-3; Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-; W-108355; Lomustine, European Pharmacopoeia (EP) Reference Standard; Lomustine, United States Pharmacopeia (USP) Reference Standard; 1-(2-Chloroethyl)-1-[(cyclohexylamino)carbonyl]-2-oxohydrazine #; 2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-urea13010-47-4NCI60_0417431-(2-Chloroethyl)-3-cyclohexylnitrosourea1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-Be"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79037	.	.	.	.	233.69	C9H16ClN3O2	61.8	219	2.8	15	1	3	3	"InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)"	C1CCC(CC1)NC(=O)N(CCCl)N=O	GQYIWUVLTXOXAJ-UHFFFAOYSA-N
DG50122	Loratadine	3957	"loratadine; 79794-75-5; Claritin; Loratidine; Alavert; Clarityn; Lisino; Clarityne; Loracert; Loradex; Bonalerg; Claritine; Fristamin; Histaloran; Lertamine; Lorastine; Civeran; Loranox; Versal; Sch 29851; Anhissen; Sch-29851; ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate; UNII-7AJO3BO7QN; MFCD00672869; C22H23ClN2O2; Loratyne; Allertidin; Claratyne; Polaratyne; Restamine; Aerotina; Alerpriv; Biloina; Lesidas; Loradif; Lorantis; Loraver; Lorfast; Loritine; Lowadina; Nularef; Optimin; Sanelor; Sensibit; Sohotin; Velodan; 7AJO3BO7QN; Lergy; Pylor; Tadine; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate; CHEMBL998; Zeos; Sinhistan Dy; Bedix Loratadina; Talorat Dy; Claritin Reditabs; Clarinase Reperabs; MLS000069647; ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate; Loratadinum [Latin]; Claritin reditab; Loratadina [Spanish]; Clarityne-D; NSC-758628; 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester; 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester; ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate; Children's Claritin; NCGC00015619-09; Loratadinum; Loratadina; SMR000058255; Clarityne Dy Repetabs; DSSTox_CID_3224; DSSTox_RID_76931; DSSTox_GSID_23224; Loratadine Redidose; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate; Claritin Hives Relief; Bactimicina allergy; Claritin (TN); 1398065-63-8; ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate; Claritin Hives Relief Reditab; CAS-79794-75-5; HSDB 3578; SR-01000075968; Cronopen; Flonidan; Klaritin; loratadine-form1; Topcare childrens allergy relief; LoratadineI-p25; Loratadine,(S); Loratadine [USAN:USP:INN:BAN]; Loratadine- Bio-X; loratadine-form2-He; Spectrum_001496; Tocris-1944; LoratadineI-0deg(L13); Opera_ID_1868; Spectrum2_001584; Spectrum3_000740; Spectrum4_000177; Spectrum5_001650; Lopac-L-9664; Loratadine-d5(ethyl-d5); LoratadineI-p80(L13); L 9664; LoratadineI-m100(L13); LoratadineI-m173(L13); SCHEMBL4596; Lopac0_000680; Oprea1_027965; REGID_for_CID_3957; BSPBio_002300; KBioGR_000693; KBioSS_001976; Loratadine (JAN/USP/INN); MLS000758260; MLS001148466; MLS001423984; BIDD:GT0198; DivK1c_000792; SPECTRUM1503712; SPBio_001548; CHEBI:6538; GTPL7216; DTXSID2023224; BDBM22876; HMS502H14; KBio1_000792; KBio2_001976; KBio2_004544; KBio2_007112; KBio3_001520; NINDS_000792; HMS2051G11; HMS2090O18; HMS2093I15; HMS2235G23; HMS3262G21; HMS3268M16; HMS3371D13; HMS3393G11; HMS3412N06; HMS3654L17; HMS3676N06; HMS3714E09; Pharmakon1600-01503712; ZINC537931; Loratadine 0.1 mg/ml in Methanol; ACT04775; AMY15355; BCP22338; Tox21_110185; Tox21_301532; Tox21_500680; BBL010757; CCG-39362; DL-436; HTS028367; NSC721075; NSC758628; s1358; STK574925; AKOS005499513; Loratadine (Desloratadine Impurity E); Loratadine, >=98% (HPLC), powder; Tox21_110185_1; AB06849; AC-2086; BAY76-2211; BCP9000858; CCG-100786; CS-0887; DB00455; KS-1079; LP00680; MCULE-5073177964; NC00036; NSC 721075; NSC 758628; NSC-721075; SDCCGSBI-0050659.P004; IDI1_000792; NCGC00015619-01; NCGC00015619-02; NCGC00015619-03; NCGC00015619-04; NCGC00015619-05; NCGC00015619-06; NCGC00015619-07; NCGC00015619-08; NCGC00015619-10; NCGC00015619-11; NCGC00015619-12; NCGC00015619-13; NCGC00015619-26; NCGC00023125-02; NCGC00023125-04; NCGC00023125-05; NCGC00023125-06; NCGC00023125-07; NCGC00255171-01; NCGC00261365-01; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester; BL164637; HY-17043; NCI60_041473; SY052751; BCP0726000007; SBI-0050659.P003; EU-0100680; FT-0627976; L0223; SW197416-3; D00364; J10034; AB00053224-15; AB00053224-16; AB00053224_17; AB00053224_18; 794L755; L000667; Q424049; Q-100833; SR-01000075968-1; SR-01000075968-3; SR-01000075968-4; SR-01000075968-6; BRD-K82795137-001-02-3; BRD-K82795137-001-10-6; Z1741979837; Loratadine, British Pharmacopoeia (BP) Reference Standard; Loratadine, European Pharmacopoeia (EP) Reference Standard; Loratadine, United States Pharmacopeia (USP) Reference Standard; Loratadine, Pharmaceutical Secondary Standard; Certified Reference Material; Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard; 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester; 1-Piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester; 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine; 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester; 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester; 4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester; 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester; 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate; Ethyl-4-(8-chloro-5,6-dihydro-11H-benzo [5,6] cyclohepta [1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate; loratadine impurity c;4-(4,8-dichloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721075	.	.	.	.	382.9	C22H23ClN2O2	42.4	569	5.2	27	0	3	2	"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3"	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1	JCCNYMKQOSZNPW-UHFFFAOYSA-N
DG50124	4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide	3994	"m344; 251456-60-7; 4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide; M 344; Histone Deacetylase Inhibitor III; 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide; M-344; N-Hydroxy-7-(4-dimethylaminobenzoyl)aminoheptanamide; UNII-J8W4VF5ZEJ; J8W4VF5ZEJ; Benzamide, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-; 4-Dimethylamino-N-(6-hydroxycarbamoylhexyl)benzamide; D 237;MS 344; CHEMBL140000; MFCD03453554; 4-(Dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-benzamide; Benzamide, 4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-; B3N; MS 344; MS 344, D237; MLS006011092; SCHEMBL675763; N-Hydroxy-7-(4-dimethylaminobenzoyl)-aminoheptanamide; DTXSID90274415; CHEBI:125562; 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYLHEXYL)-BENZAMIDE; HMS3648E20; HMS3656B08; 3802AH; 7-{[4-(DIMETHYLAMINO)PHENYL]FORMAMIDO}-N-HYDROXYHEPTANAMIDE; BDBM50082665; NSC718169; s2779; ZINC12502280; AKOS022183358; CCG-208693; CS-1342; DB02565; NSC-718169; M344, >=98% (HPLC), powder; NCGC00263617-05; AS-71316; D237; HY-13506; NCI60_040738; SMR004702880; DB-106167; D4188; FT-0669552; SW219379-1; EC-000.2275; C74302; 456M607; A924948; SR-01000946361; J-015838; SR-01000946361-1; BRD-K45528773-001-02-3; BRD-K45528773-001-03-1; Q27216175; 4-Dimethylamino-N-(6-hydroxycarbamoyl-hexyl)-benzamide; 4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	718169	.	.	.	.	307.39	C16H25N3O3	81.7	340	1.7	22	3	4	9	"InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)"	CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO	MXWDSZWTBOCWBK-UHFFFAOYSA-N
DG50125	Malformin A	4005	"MALFORMIN A; Malformins; 3022-92-2; Malformin A1; NSC324646; 4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone; cyclo(D-Cys-D-Cys-Val-D-Leu-Ile)cyclic(1-2)-disulfide; Malformin; NSC 324646; Malformin-A1; Malformin-A; CHEMBL1987208; DTXSID60911481; AKOS030213204; BS-1480; NSC-324646; Cyclic(D-cysteinyl-D-cysteinyl-L-valyl-D-leucyl-L-isoleucyl)cyclic(1-2)-disulfide; NCI60_002817; 11006-42-1; 4-(Butan-2-yl)-7-(2-methylpropyl)-10-(propan-2-yl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol; 4-Sec-Butyl-7-isobutyl-10-isopropyl-15,16-dithia-2,5,8,11,19-pentaaza-bicyclo[11.4.2]nonadecane-3,6,9,12,18-pentaone; 7-isobutyl-4-isopropyl-10-sec-butyl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324646	.	.	.	.	529.7	C23H39N5O5S2	196	809	2.1	35	5	7	5	"InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)"	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O	RNCGDQLZIATDOU-UHFFFAOYSA-N
DG50126	NSC351907	4016	mastoparan; 72093-21-1; NSC351907; CHEMBL1964493; NSC-351907; NCGC00163465-01	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351907	.	.	.	.	1478.9	C70H131N19O15	569	2790	1	104	19	19	53	"InChI=1S/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)"	CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)N	MASXKPLGZRMBJF-UHFFFAOYSA-N
DG50128	Mechlorethamine	4033	"mechlorethamine; Chlormethine; Nitrogen mustard; Chlorethazine; Mustine; Mustargen; 51-75-2; Cloramin; Mecloretamina; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine; Bis(2-chloroethyl)methylamine; Caryolysine; Embichin; Mechloroethamine; Dichlor amine; Methylbis(2-chloroethyl)amine; 2,2'-Dichloro-N-methyldiethylamine; N-Methyl-bis(2-chloroethyl)amine; Bis(beta-chloroethyl)methylamine; Methylbis(beta-chloroethyl)amine; N-Methyl-lost; N-Methyl-bis(beta-chloroethyl)amine; Nitrogranulogen; Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-; Di(2-chloroethyl)methylamine; Methyldi(2-chloroethyl)amine; beta,beta'-Dichlorodiethyl-N-methylamine; N,N-Bis(2-chloroethyl)methylamine; N,N-Di(chloroethyl)methylamine; HN-2; Nitrogen mustard (HN-2); 2,2'-Dichlorodiethyl-methylamine; NSC 762; N-Methyl-bis-chloraethylamin; N-Methyl-2,2'-dichlorodiethylamine; ENT-25294; TL 146; HN2; N-Lost; UNII-50D9XSG0VR; Carolysine; Mebichloramine; Embechine; T-1024; Diethylamine, 2,2'-dichloro-N-methyl-; CHEBI:28925; 50D9XSG0VR; N-METHYL-DI(2-CHLORO)-ETHYLAMINE; N-methylbis(2-chloroethyl)amine; Antimit; bis(2-chloroethyl)(methyl)amine; N-Methyl lost; NSC-757087; Clormetina; Mustine note; Stickstofflost (ebewe); .Beta.,.beta.'-Dichlorodiethyl-N-methylamine; Mecloretamina [Italian]; AB00052033_05; N-Methyl-lost [German]; Clormetina [INN-Spanish]; Chlormethinum [INN-Latin]; Valchlor; Chloramine (the nitrogen mustard); Chlormethine [INN:BAN]; CCRIS 447; N-Methyl-bis-chloraethylamin [German]; Chlormethine (INN); HSDB 5083; NSC-128663; EINECS 200-120-5; Nitol (*Hydrochloride*); T 1024; Mitoxine (*Hydrochloride*); BRN 0605323; Ledaga; SR-05000001664; Stickstofflost (*Hydrochloride*); Eraso (Salt/Mix); Nitol (Salt/Mix); Hn2 (amine); N,N-Bis(2-chloroethyl)-N-methylamine; Embichin (Salt/Mix); Dichloren (Salt/Mix); Chlormethinehydrochloride; Spectrum_000889; Caryolysin (Salt/Mix); Caryolysine (Salt/Mix); Spectrum2_000448; Spectrum3_000484; Spectrum4_000924; Spectrum5_001702; Nitrogen mustard (hn 2); bis(chloroethyl)methylamine; CHEMBL427; Epitope ID:116224; cid_4033; SCHEMBL3861; 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine; Bis(b-chloroethyl)methylamine; BSPBio_001947; KBioGR_001448; KBioSS_001369; DivK1c_000759; SPECTRUM1500375; SPBio_000496; Methyl-bis(2-chloroethyl)amine; GTPL7218; DTXSID2020975; HMS502F21; KBio1_000759; KBio2_001369; KBio2_003937; KBio2_006505; KBio3_001447; N-methyldi-(2-chloroethyl)amine; bis(2-chloro-ethyl)-methyl-amine; bis-(2-chloro-ethyl)-methylamine; NINDS_000759; BDBM200297; Bis(.beta.-chloroethyl)methylamine; HMS1920J15; HMS2091B04; Methylbis(.beta.-chloroethyl)amine; Pharmakon1600-01500375; bis-(2-chloro-ethyl)-methyl-amine; ZINC2539484; CCG-39885; NSC757087; STL484282; AKOS006229862; N-Methyl-bis(.beta.-chloroethyl)amine; DB00888; MCULE-6341452542; IDI1_000759; NCGC00091835-02; NCGC00091835-03; NCGC00091835-04; NCGC00091835-05; NCGC00091835-06; NCGC00091835-07; NCGC00091835-08; NCGC00091835-09; N,N-Bis(2-chloroethyl)-N-methylamine #; NCI60_041682; U601; SBI-0051432.P003; A8064; C07115; D07671; AB00052033-04; 055M867; Q418011; 1, 5-Dichloro-3-methyl-3-azapentane hydrochloride; SR-05000001664-1; BRD-K12829205-001-03-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757087	.	.	.	.	156.05	C5H11Cl2N	3.2	43.7	0.9	8	0	1	4	"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3"	CN(CCCl)CCCl	HAWPXGHAZFHHAD-UHFFFAOYSA-N
DG50129	Menadione	4055	"menadione; 58-27-5; Vitamin K3; 2-Methyl-1,4-naphthoquinone; 2-methylnaphthalene-1,4-dione; Menaphthone; 2-Methylnaphthoquinone; Kayquinone; 2-Methyl-1,4-naphthalenedione; Thyloquinone; Kappaxin; Klottone; Panosine; Kayklot; Kolklot; Menaphthon; Menadion; Kanone; Kipca; Aquinone; Kaergona; Kativ-G; Mitenone; Prokayvit; Aquakay; Hemodal; Karcon; Kareon; Kaykot; Koaxin; Mitenon; Synkay; K-Thrombyl; K-Vitan; Kipca-Oil Soluble; Juva-K; Vitamin K 3; Vitamin K2(0); Vitamin K0; 2-Methyl-1,4-naphthochinon; Menaquinone 0; Menaphtone; Usaf ek-5185; 1,4-Naphthalenedione, 2-methyl-; 3-Methyl-1,4-naphthoquinone; Menaphthene; Kaynone; 2-Methyl-1,4-naftochinon; 2-methyl-1,4-dihydronaphthalene-1,4-dione; 1,4-Naphthoquinone, 2-methyl-; Menaquinone O; Menadione (Vitamin K3); NSC 4170; UNII-723JX6CXY5; MFCD00001681; NSC4170; MNQ; CHEMBL590; 2-Methyl-1,4-naphthalendione; MLS000069420; 723JX6CXY5; 1,4-Dihydro-2-methylnaphthalene-1,4-dione; Menadionum; Memodol; CHEBI:28869; NSC-4170; Kappaxan (VAN); VK3; CAS-58-27-5; Menadione semiquinone; NCGC00016258-02; SMR000059102; DSSTox_CID_1715; DSSTox_RID_76289; DSSTox_GSID_21715; Methyl-1,4-naphthoquinone; 2-Methyl-1,4-naftochinon [Czech]; Menadione (USP); Kappaxin (TN); Kipca, oil soluble; 2-Methyl-1,4-naphthochinon [German]; CCRIS 6672; HSDB 3354; Menadione [USP:BAN]; SR-01000712386; EINECS 200-372-6; 2-Methyl-1,4-naphthodione; Methyl-1,4-naphthalenedione; Mendione; AI3-14700; 2-methyl-1,4-naphthoquinone, 5; Menadione, 9; Menadione,(S); Prestwick_313; Menadione, 98%; Menadione, crystalline; Spectrum_001228; SpecPlus_000191; Opera_ID_1802; Prestwick0_000459; Prestwick1_000459; Prestwick2_000459; Prestwick3_000459; Spectrum2_001194; Spectrum4_000722; Spectrum5_001764; M0373; NCIMech_000105; cid_4055; 2-methyl-1,4-napthoquinone; SCHEMBL25970; BSPBio_000538; KBioGR_000984; KBioGR_002527; KBioSS_001708; KBioSS_002535; 2-methyl-1,4 naphthoquinone; 34524-96-4; MLS001148443; BIDD:ER0556; DivK1c_000080; DivK1c_006287; SPECTRUM1502254; SPBio_001267; SPBio_002477; 3-methyl-1,4-naphthalenedione; BPBio1_000592; ZINC1677; DTXSID4021715; 1,4-naphthalenedione, 2-methyl; 2-Methyl-[1,4]-naphthoquinone; BDBM24778; HMS500D22; KBio1_000080; KBio1_001231; KBio2_001708; KBio2_002527; KBio2_004276; KBio2_005095; KBio2_006844; KBio2_007663; KBio3_003005; WLN: L66 BV EVJ C1; cMAP_000077; NINDS_000080; Bio1_000471; Bio1_000960; Bio1_001449; HMS1569K20; HMS1921P06; HMS2092F12; HMS2096K20; HMS2232A09; HMS2234J16; HMS3371M08; HMS3373A12; HMS3655P03; HMS3869N03; Pharmakon1600-01502254; AMY31055; BCP25699; HY-B0332; STR01143; Tox21_110334; Tox21_301367; BBL027351; CCG-35354; Menadione (K3), analytical standard; NSC758200; s1949; STL377874; AKOS004910447; AKOS025244105; Tox21_110334_1; DB00170; FS-2556; MCULE-2487773379; NSC-758200; SB17255; IDI1_000080; QTL1_000056; NCGC00016258-01; NCGC00016258-03; NCGC00016258-04; NCGC00016258-06; NCGC00016258-07; NCGC00016258-08; NCGC00094978-01; NCGC00094978-02; NCGC00255225-01; AC-34841; H500; NCI60_003945; SMR000653532; SY018303; SBI-0051776.P002; Menadione, meets USP testing specifications; FT-0612893; FT-0675843; SW219798-1; C05377; D02335; 001M681; A831816; Q192471; 1,4-Naphthalenedione, 2-methyl-, radical ion(1-); Q-201350; SR-01000712386-2; SR-01000712386-5; SR-01000712386-6; VITAMIN K3; 2-METHYL-1,4-NAPHTHALENEDIONE; BRD-K78126613-001-16-0; Menadione (Vitamin K3) 10 microg/mL in Acetonitrile; Vitamin K3; 2-Methyl-1,4-naphthoquinone; Menaphthone; Vitamin K3: 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene; Menadione, European Pharmacopoeia (EP) Reference Standard; 03AAE1E9-B215-45AF-976C-91E61894A467; Menadione, United States Pharmacopeia (USP) Reference Standard; Menadione, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4170	.	.	.	.	172.18	C11H8O2	34.1	289	2.2	13	0	2	0	"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3"	CC1=CC(=O)C2=CC=CC=C2C1=O	MJVAVZPDRWSRRC-UHFFFAOYSA-N
DG50130	Amethopterin	4112	"Amethopterin; 60388-53-6; DL-Amethopterin; (+)-Amethopterin; Mexate; METHOTREXATE(+/-); Methylaminopterin; Ledertrexate; Antifolan; TCMDC-123832; (+/-)Amethopterin; Amethopterin (R,S); Methotrexate (hydrate); Methotrexate;DL-Amethopterin; Emtexate; MLS002701970; 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; C20H22N8O5; DL-Methotrexate; NSC 117356; L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; Amethopterine; Methotextrate; Methotrexat; L-Amethopterin; Methotrexat-Ebewe; Amethopterin (hydrate); CL14377 (hydrate); WR19039 (hydrate); 6-Mtx (DL); 2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; (+-)-Methotrexate; SR-05000001673; EINECS 262-213-7; NSC 740; NSC117356; Prestwick_753; Folex (Salt/Mix); X 133; Prestwick0_000373; Prestwick1_000373; Prestwick2_000373; Prestwick3_000135; Prestwick3_000373; Methotrexate, (+/-)-; CHEMBL426; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-glutamic acid; SCHEMBL3712; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-; BSPBio_000210; BSPBio_000525; BSPBio_001993; Amethopterin; DL-Amethopterin; ChEMBL_59579; SPECTRUM1500398; SPBio_002446; BPBio1_000232; BPBio1_000579; Methotrexate pound>>Amethopterin; SCHEMBL11986730; SCHEMBL20369096; CHEBI:93775; DTXSID40859034; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova; L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid; HMS1569K07; HMS1920L21; HMS2091D16; HMS2096K07; HMS3267F07; HMS3371G08; HMS3403O03; HMS3654M22; HMS3713K07; HMS3869E13; Pharmakon1600-01500398; BCP02078; BCP29918; BDBM50004545; NSC757113; AKOS000281496; AKOS024282621; 4-Amino-N10-methylpteroylglutamic acid; AB02593; CCG-212689; MCULE-3234195945; NSC-117356; NSC-757113; DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; NCGC00015079-03; NCGC00015079-04; NCGC00015079-07; NCGC00095284-01; NCGC00095284-02; AC-11680; NCI60_041622; SMR001565548; SBI-0053664.P003; Kyselina 4-amino-N10-methylpteroylglutamova; FT-0601523; FT-0630651; M1664; 388A536; SR-05000001673-1; SR-05000001673-2; BRD-A55424491-001-07-4; BRD-A55424491-001-08-2; Q27165469; (MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(MTX); Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-; N-(4-[[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid, (L)-; N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid; N-(p-((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid, (L)-; (methotrexate)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; (Methotrexate, MTX)2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (Methotrexate); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid (MTX); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid bis-adamantan-1-ylamide; 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Amethopterin); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate (MTX)); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate ); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(methotrexate(MTX)); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate); 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(Methotrexate, MXT); 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(methotrexate, MTX); Methotrexate solution, 1.0 mg/mL in methanol with 0.1N NaOH, ampule of 1 mL, certified reference material; Methotrexate2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117356	.	.	.	.	454.4	C20H22N8O5	211	704	-1.8	33	5	12	9	"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FBOZXECLQNJBKD-UHFFFAOYSA-N
DG50131	Methylene Blue cation	4139	"Methylene Blue cation; 3,7-bis(dimethylamino)phenothiazin-5-ium; UNII-ZMZ79891ZH; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium; 7060-82-4; N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium; ZMZ79891ZH; CHEBI:43830; azul de metileno; Methylthionine chloride; Methylthioninium; CHEMBL405110; NSC3089; NSC215213; NSC617593; NCGC00167496-01; NCGC00167496-03; C.I. 52015; methylene-blue; Methylthionine HCl; 3H-Phenothiazine, 7-(dimethylamino)-3-(methylimino)-, 3-methochloride; AI3-52463; cid_6099; SCHEMBL109755; CHEMBL191083; DTXSID3047009; DNDI1417128; BDBM50241461; BDBM50434369; STK391059; STL483851; ZINC12414057; AKOS001482930; METHYLENE BLUE CHLORIDE HYDRATE; DB08167; MCULE-6490213141; NCGC00159445-02; NCGC00167496-02; SBI-0206846.P001; 3,7-bis(dimethylamino)-phenothiazin-5-ium; Phenothiazin-5-ium, 3,7-bis(dimethylamino)-; AB00443236_03; 3-(Dimethyliminio)-7-(dimethylamino)-3H-phenothiazine; BRD-K16406336-311-01-2; Q27097395; [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium; 1001913-24-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617593	.	.	.	.	284.4	C16H18N3S+	43.9	483	2.2	20	0	3	1	"InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2	RBTBFTRPCNLSDE-UHFFFAOYSA-N
DG50132	Miconazole	4189	"miconazole; 22916-47-8; Monistat; Monistat IV; Daktarin IV; Miconazol; Miconazolo; Miconazolum; Minostate; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; Monistat-Derm; MJR 1762; Miconazolum [INN-Latin]; Vusion; Florid(nitrate); 1-(2-((2,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; Brentan; R 18134; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; Miconazole 3; NSC 170986; C18H14Cl4N2O; Daktarin; Miconazole (Monistat); Miconazole 7; Monistat 3; Monistat 5; Monistat 7; Monistat 1 Combination Pack; CHEMBL91; Monistat (TN); MFCD00216019; Miconazole 7 Combination Pack; 1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; R18134 nitrate; 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; MCZ; Dactarin; CHEBI:82892; M-zole 3 Combination Pack; Monistat 3 Combination Pack; 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; 22916-47-8 (free); NSC-170986; Miconazolo [DCIT]; NCGC00016770-01; Micozole; Zimycan; 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl) imidazole; Imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)-; Femizol-M; Miconazole-7; Monazole 7; 1-[2-(2,4-dichlorophenyl)-2-{[(2,4-dichlorophenyl)methyl]oxy}ethyl]-1H-imidazole; Miconazol [INN-Spanish]; Oravig; Aflorix(nitrate); 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy) phenethyl)-; Albistat(nitrate); Andergin(nitrate); Conofite(nitrate); (+/-)-Miconazole nitrate salt; 1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-; imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)- (9CI); Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)- (9CI); Monista (nitrate); Micantin (nitrate); Novo-Miconazole Vaginal Ovules; CCRIS 7924; Gyno-Daktar(nitrate); Lotrimin AF(nitrate); NSC169434; Epi-Monistat(nitrate); Monistat 7 Vaginal Suppositories; EINECS 245-324-5; BRN 0965511; Zimybase; Miconazole Base; 1-(2,4-Dichloro-beta-[(2,4-dichlorobenzyl)oxy]phenethyl)imidazole; R-14889; SR-01000000271; 1-(2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole; 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1h-imidazole; Miconazole [USP:INN:BAN:JAN]; Prestwick_335; Oravig (TN); Spectrum_000965; Prestwick0_000067; Prestwick1_000067; Prestwick2_000067; Prestwick3_000067; Spectrum2_001048; Spectrum3_000507; Spectrum4_000061; Spectrum5_001297; DSSTox_CID_3319; bmse000924; (+-)-1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole; cid_4189; SCHEMBL2866; DSSTox_RID_76975; DSSTox_GSID_23319; Oprea1_091955; BSPBio_000253; BSPBio_002033; KBioGR_000581; KBioSS_001445; MLS002222203; DivK1c_000156; SPBio_000976; SPBio_002174; BPBio1_000279; GTPL2449; Miconazole (JP17/USP/INN); DTXSID6023319; SCHEMBL13934598; BDBM31772; KBio1_000156; KBio2_001445; KBio2_004013; KBio2_006581; KBio3_001533; NINDS_000156; HMS1568M15; HMS2090B21; HMS2095M15; HMS2232B14; HMS3374J10; HMS3656E14; HMS3712M15; HY-B0454; Tox21_110601; DL-448; NSC170986; s2536; STK834405; 1-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]-2-imidazolylethane; AKOS001574474; AKOS016842489; CCG-220067; DB01110; DS-1881; MCULE-2106181573; 1H-Imidazole, 1-2-((2,4-dichlorophenyl)-2-((2,4-dichlorophenyl))methoxy)ethyl)-, (+-)-; IDI1_000156; Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-; NCGC00018294-02; NCGC00018294-04; NCGC00018294-06; NCGC00018294-08; 75319-47-0; NCI60_001353; NCI60_001380; SMR001307249; SBI-0051448.P003; CAS-22916-47-8; DB-046018; AB00053500; FT-0628942; SW196614-4; W4662; D00416; J10390; R18134; AB00053500-23; AB00053500-24; AB00053500-25; AB00053500_26; AB00053500_27; AB00053500_28; 216M019; A878389; AE-641/01941016; Q410534; J-014898; SR-01000000271-5; BRD-A82396632-001-03-0; BRD-A82396632-008-02-7; 1-[2,4dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; 1-[2,4-Dichloro-beta-([2,4-dichlorobenzyl]oxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)-phenethyl]imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]-imidazole; 1-[2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl]imidazole; Imidazole,4-dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]-; 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-imidazol; 1-[2,4-Dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]imidazole; 1-[2,4-Dichloro-beta-([2,4-dichlorobenzyl]oxy)-phenethyl] imidazole; 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole; 1H-Imidazole,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-; Imidazole, 1-(2,4-dichloro-.beta.-((2,4-dichlorobenzyl)oxy)phenethyl)-; 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole; 1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; 1-[2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)-methoxy]ethyl]-1H-imidazole; 1-[2-[(2,4-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169434	.	.	.	.	416.1	C18H14Cl4N2O	27	417	5.3	25	0	2	6	"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2"	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	BYBLEWFAAKGYCD-UHFFFAOYSA-N
DG50133	Myelobromol	4208	"1,6-Dibromo-1,6-dideoxyhexitol; Dibromdulcitol; 1,6-dibromohexane-2,3,4,5-tetrol; NSC616232; 488-41-5; 1,6-Dibromodideoxydulcitol; WLN: E1YQYQYQYQ1E; Dibromannit; Dibromannitol; Mielobromol; Myelobromol; DIBROMOMANNITOL; 1,6-Dibromo-1,6-dideoxy-D-galactitol;1,6-Dibromo-1,6-dideoxy-D-galactitol; NSC 104800; Galactitol, 1,6-dibromo-1,6-dideoxy-; 1,6-Dibromo-D-mannitol; NCI-C04762; Dibromogalactitol; D-Dibromomannitol; D-Mannitol, 1,6-dibromo-1,6-dideoxy-; R 54; 1,6-Dideoxygalactitol; 1,6-D-didesoxymannitol; 1,6-dideoxy-D-galactitol; SCHEMBL8456; CHEMBL161657; DTXSID3048158; Allitol,6-dibromo-1,6-dideoxy-; HMS3369A10; BCP31796; NSC94100; D-Allitol,6-dibromo-1,6-dideoxy-; Galactitol,6-dibromo-1,6-dideoxy-; D-Mannitol,6-dibromo-1,6-dideoxy-; NSC104800; NSC140389; NSC240600; 1,6-Dibromo-2,3,4,5-hexanetetrol; MCULE-9822118138; NSC-140389; NSC-240600; NSC-616232; Mannitol,6-dibromo-1,6-dideoxy-, D-; NCI60_000115; NCI60_005034; DB-051580; FT-0632207; 1,6-Dibromo-1,6-dideoxy-D-mannitol;Myebrol; Q3859447; 35827-62-4; 688007-15-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104800	.	.	.	.	307.96	C6H12Br2O4	80.9	110	-0.3	12	4	4	5	"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2"	C(C(C(C(C(CBr)O)O)O)O)Br	VFKZTMPDYBFSTM-UHFFFAOYSA-N
DG50134	"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide"	4213	"NSC289637; NSC 289637;HE 69; NSC-289637; SCHEMBL7119; CHEMBL165000; HMS3372M17; HMS3869H13; AKOS015895934; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide; LS-13657; NCI60_002375; FT-0630635; FT-0652030; 1H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289637	.	.	.	.	259.22	C9H13N3O6	151	329	-1.9	18	5	7	3	"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)"	C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N	HZQDCMWJEBCWBR-UHFFFAOYSA-N
DG50135	4-(Benzyloxycarbonyl)-1-(4-methoxyphenylsulfonyl)-N-hydroxypiperazine-2-carboxamide	4230	CHEMBL332134; SCHEMBL2680478; BDBM50084744; NSC727679; NSC-727679; MMP-9/MMP-13 Inhibitor ll CalBioChem Cat. No. 444253; 3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid benzyl ester; 4-(Benzyloxycarbonyl)-1-(4-methoxyphenylsulfonyl)-N-hydroxypiperazine-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	727679	.	.	.	.	449.5	C20H23N3O7S	134	713	1.1	31	2	8	7	"InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)"	COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCC3=CC=CC=C3	DNGGPLKVDUPXFN-UHFFFAOYSA-N
DG50136	Entinostat	4261	"Entinostat; 209783-80-2; ms-275; SNDX-275; MS 275; MS-27-275; SNDX 275; Entinostat (MS-275); MS 27-275; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate; MS275; UNII-1ZNY4FKK9H; Entinostat (MS-275,SNDX-275); 1ZNY4FKK9H; BAY 86-5274; N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide; pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; CHEMBL27759; pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate; NSC706995; BAY86-5274; NSC-706995; pyridin-3-ylmethyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; pyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate.; pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate; N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; entinostatum; N-(2-aminophenyl)-4-[N-(pyridin-3-ylmethoxycarbonyl)aminomethyl]benzamide; Entinostat, free base; Entinostat [USAN:INN]; MS-275 - Entinostat; 3-Pyridinylmethyl ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate; benzamide-type inhibitor, 3; Carbamic acid, ((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3-pyridinylmethyl ester; MLS006010183; Entinostat (JAN/USAN/INN); SCHEMBL148309; GTPL7007; DTXSID0041068; BDBM19410; AOB2570; EX-A038; SYN3039; CHEBI:132082; BCPP000155; HMS3426G07; HMS3648K12; HMS3654O11; HMS3744O17; ACT06782; AMY31163; BCP01824; ZINC1488870; MFCD08272435; NSC756642; s1053; Entinostat (MS-275;SNDX-275); 3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; AKOS024262667; N-(2-Aminophenyl)-4-[N-(pyridin-3-yl-methoxycarbonyl)aminomethyl]benzamide; AC-8968; BCP9000967; Carbamic acid, 3-pyridinylmethyl ester; CCG-208680; CS-0511; DB11841; Entinostat (MS-275, SNDX-275); NSC 706995; NSC-756642; SB16665; Carbamic acid, [[4-[[(2-aminophenyl)carbaonyl]phenyl]methyl]-, 3-pyridinylmethyl ester; NCGC00165833-01; NCGC00165833-02; NCGC00165833-03; NCGC00165833-04; NCGC00165833-11; NCGC00165833-13; AS-17906; BP-25653; Carbamic acid, N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)-, 3- pyridinylmethyl ester; HY-12163; MS27-275; NCI60_038022; SMR004458705; MS-275, A HDAC1 and HDAC3 inhibitor; MS-275-27; ZK 244894; FT-0667871; SW219667-1; V2451; EC-000.2117; D09338; 783M802; A815057; MS-275,Entinostat, SNDX-275, MS-27-275; SR-01000946382; Q1281020; SR-01000946382-1; W-201831; BRD-K77908580-001-02-1; BRD-K77908580-001-04-7; (pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]-3-pyridinylmethyl ester, carbamic acid; N-[[4-[[(2-Aminophenyl)amino]carbonyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester; SNDX 275;3-pyridylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate; 442532-99-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	706995	.	.	.	.	376.4	C21H20N4O3	106	508	2	28	3	5	7	"InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3	INVTYAOGFAGBOE-UHFFFAOYSA-N
DG50137	"Nigericin, monosodium salt"	4490	"nigericin; NSC292567; 28380-24-7; Nigericin, sodium salt (1:1); NIGERICIN, MONOSODIUM SALT; Neuro_000147; SCHEMBL8254774; CHEMBL2005417; BCP13661; AKOS037645262; MCULE-3073945193; NSC-292567; AS-59318; FT-0698167; A936205; Azalomycin M; Polyetherin A; Helixin C; Antibiotic K178; Antibiotic X464; 28643-80-3 pound Nigericin sodium salt pound(c)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292567	.	.	.	.	725	C40H68O11	142	1230	5.5	51	3	11	9	"InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)"	CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC	DANUORFCFTYTSZ-UHFFFAOYSA-N
DG50138	Nordihydroguaiaretic acid	4534	"NORDIHYDROGUAIARETIC ACID; 500-38-9; NDGA; Dihydronorguaiaretic acid; Actinex; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol; Nordihydroguairaretic acid; 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Norhydroguaiaretic acid; Norguaiaretic acid, dihydro-; Dinorguaiaretic acid, dihydro-; 4,4'-(2,3-Dimethyltetramethylene)dipyrocatechol; NSC 4291; 2,3-Bis(3,4-dihydroxyphenylmethyl)butane; nordihydroguaretic acid; Pyrocatechol, 4,4'-(2,3-dimethyltetramethylene)di-; 27686-84-6; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); CHEMBL52; Nordihydroguaiaretic acid (unspecified); Butane, 1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; MLS000069451; CHEBI:7625; beta,gamma-Dimethyl-alpha,delta-bis(3,4-dihydroxyphenyl)butane; NSC4291; CHX 100; Masoprocol; meso-NDGA; 1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethylbutane; MFCD00002206; NSC682984; 4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol; 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(benzene-1,2-diol); SMR000059049; nordihydroguaiaretic acid (ndga); CCRIS 1399; EINECS 207-903-0; Norguaiaretic acid, dihydro; NSC 682984; NSC-4291; AI3-23059; NDGA;Masoprocol; NSC-682984; NCGC00015741-06; 2,3-Dimethyl-1,4-bis(3,4-dihydroxyphenyl)butane; LOX inhibitor, N/A; nordihydroguiaretic acid; Spectrum_001146; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis(1,2-benzenediol); nordihydroguajaretic acid; Spectrum5_000735; DSSTox_CID_2437; cid_4534; DSSTox_RID_76590; DSSTox_GSID_22437; Oprea1_368609; KBioGR_002349; KBioSS_001626; KBioSS_002352; MLS002153435; MLS006011710; DivK1c_000999; SCHEMBL135976; GTPL4265; DTXSID5022437; rel-4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzene-1,2-diol); BDBM32020; HCZKYJDFEPMADG-UHFFFAOYSA-; HMS503G19; KBio1_000999; KBio2_001626; KBio2_002349; KBio2_004194; KBio2_004917; KBio2_006762; KBio2_007485; KBio3_002828; Nordihydro Guaiaretic Acid-[d6]; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-benzenediol; cMAP_000026; NINDS_000999; HMS2232L16; HMS3370G10; HMS3649M15; BCP08590; HY-N0198; Tox21_302171; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]benzene-1,2-diol; s3984; STL570288; AKOS003367978; CCG-207935; CS-1431; MCULE-7119316381; SDCCGSBI-0050852.P002; IDI1_000999; NDGA - CAS 500-38-9; SMP2_000272; 4,3-Dimethyltetramethylene)dipyrocatechol; NCGC00015741-04; NCGC00015741-05; NCGC00015741-08; NCGC00015741-09; NCGC00015741-13; NCGC00089785-02; NCGC00089785-03; NCGC00255380-01; AC-24202; AS-58406; CAS-500-38-9; NCI60_003992; WLN: QR BQ D1Y1&Y1&1R CQ DQ; XN163193; D0800; FT-0606781; Nordihydroguaiaretic acid, >=97.0% (HPLC); .beta.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,3-Dimethyl-1,4-butanediyl)bis(pyrocatechol); F17140; N-8500; 1, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-; Pyrocatechol,4'-(2,3-dimethyltetramethylene)di-; 500N389; A913176; Butane,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-; SR-01000003007; Q7050774; SR-01000003007-2; PYROCATECHOL,4'- (2,3-DIEMTHYLTETRAMETHYLENE) DI-; 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol; .beta.,.gamma.-Dimethyl-.alpha.,.delta.-bis(3,4-dihydroxyphenyl)butane; 4,4'-(2,3-dimethyltetramethylene)dipyrocatechol (Nordihydroguaiaretic acid); 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol; Nordihydroguaiaretic acid, >=90% (HPLC), from Larrea divaricata (creosote bush)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4291	.	.	.	.	302.4	C18H22O4	80.9	303	4.3	22	4	4	5	"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3"	CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O	HCZKYJDFEPMADG-UHFFFAOYSA-N
DG50139	Nortriptyline	4543	"nortriptyline; Aventyl; Desitriptilina; 72-69-5; Noramitriptyline; Desmethylamitriptyline; Noritren; Sensaval; Ateben; Avantyl; Lumbeck; Demethylamitriptyline; Pamelor; Sesaval; Demethylamitryptyline; Nortriptylinum; Amitryptyline, demethyl-; Psychostyl; UNII-BL03SY4LXB; Aventyl;Desitriptilina; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine; Nortryptiline; Nortryptyline; BL03SY4LXB; Pamelor hydrochloride; 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-; CHEBI:7640; Nortriptylene hydrochloride; 5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene; 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene; 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine; NSC-757234; Nortriptilina; Nortriptilina [DCIT]; NSC169453; Nortriptyline [INN:BAN]; Demethylamitriptylene; Nortriptylinum [INN-Latin]; 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine; Nortrilen (TN); NSC78248; CCRIS 9175; Nortriptyline (INN); CAS-894-71-3; EINECS 200-788-8; BRN 2216786; nortriptylina; 5-[3-(Methylamino)propylidene]dibenzo[a,E]cyclohepta[1,5]diene; HSDB 3371; Triptyline-M nor; 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine; 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene; N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin; NCI169453; Spectrum_001041; Psychostyl (Salt/Mix); Prestwick0_000254; Prestwick1_000254; Prestwick2_000254; Prestwick3_000254; Spectrum2_000997; Spectrum3_000526; Spectrum4_000455; Spectrum5_001377; Lopac-N-7261; CHEMBL445; NCIStruc1_000856; NCIStruc2_000700; 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl-; NCIOpen2_004361; BIDD:PXR0187; Lopac0_000868; SCHEMBL34527; BSPBio_000068; BSPBio_002111; KBioGR_000870; KBioSS_001521; DivK1c_000151; SPECTRUM1500442; SPBio_001093; SPBio_002287; BPBio1_000076; GTPL2404; DTXSID9023384; HMS500H13; KBio1_000151; KBio2_001521; KBio2_004089; KBio2_006657; KBio3_001611; NINDS_000151; BDBM112777; HMS1920B20; HMS2091J20; KUC112478N; Pharmakon1600-01500442; ZINC1530741; CCG-38266; NCGC00014483; NSC757234; PDSP1_001805; PDSP2_001788; DB00540; NCI-169453; NSC 757234; SDCCGSBI-0050843.P006; (2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine; IDI1_000151; MRF-0000480; QTL1_000063; NCGC00014483-02; NCGC00014483-03; NCGC00014483-04; NCGC00014483-05; NCGC00014483-06; NCGC00014483-07; NCGC00014483-08; NCGC00014483-09; NCGC00014483-10; NCGC00014483-11; NCGC00014483-12; NCGC00014483-14; NCGC00014483-16; NCGC00014483-23; NCGC00024261-03; NCGC00024261-04; NCGC00024261-05; NCGC00024261-06; KSC-315-028-; methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine; N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine; NCI60_001354; SBI-0050843.P004; US8629135, SW-02; HY-118620; AB00052061; CS-0067638; C07274; D08288; Q61387; AB00052061_16; SR-01000000223-4; BRD-K91263825-003-03-2; 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-.DELTA.,.gamma.-propylamine; 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine; 3-(5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)-N-methyl-propan-1-amine; 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, 10,11-dihydro-N-methyl-; 21B; methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169453	.	.	.	.	263.4	C19H21N	12	307	4.5	20	1	1	3	"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3"	CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
DG50140	o6-Benzylguanine	4578	"o6-benzylguanine; 6-O-Benzylguanine; 19916-73-5; O(6)-Benzylguanine; 6-(Benzyloxy)-7H-purin-2-amine; 2-Amino-6-(benzyloxy)purine; 6-(benzyloxy)-9H-purin-2-amine; 2-amino-6-benzyloxypurine; 6-Benzyloxyguanine; KRX-0402; 6-(Phenylmethoxy)-1H-purin-2-amine; 2-Amino-6-(phenylmethoxy)-9H-purine; 1000874-21-4; 1H-Purin-2-amine, 6-(phenylmethoxy)-; 6-phenylmethoxy-7H-purin-2-amine; UNII-01KC87F8FE; 6-BENZYLGUANINE; MFCD00269931; 01KC87F8FE; CHEMBL407874; 6-(benzyloxy)-1H-purin-2-amine; NSC637037; NSC-637037; O(6)-Bgua; 6-(Benzyloxy)guanine; 6-Benzyloxy guanine; O6-BG; SMR000326791; Purine, 2-amino-6-(benzyloxy)-; 916B735; NSC 637037; CCRIS 9383; 6-benzyloxy-7H-purin-2-amine; O6 -benzylguanine; Purine, 8CI); 9H-Purin-2-amine, 6-(phenylmethoxy)-; Lopac-B-2292; O6-Benzylguanine- Bio-X; 6-benzyloxy-2-amino-purine; Lopac0_000181; SCHEMBL61740; MLS000859930; MLS001074887; MLS006010145; 6-benzyloxy-9H-purin-2-amine; BDBM5491; 2-Amino-6-benzyloxy-9H-purine; 0.4 CH3OH; DTXSID20173700; HMS2234P23; HMS3260F03; HMS3369A16; BCP08777; O6-Substituted Guanine Deriv. 31; ZINC5425464; 6-(Benzyloxy)-7H-purin-2-ylamine; Tox21_500181; s3658; AKOS015919415; AKOS015963409; AC-1076; CCG-204276; CS-W002585; DB11919; HY-W002585; KS-5281; LP00181; LS20601; SB17232; SDCCGSBI-0050169.P002; NCGC00015144-01; NCGC00015144-02; NCGC00015144-03; NCGC00015144-04; NCGC00015144-08; NCGC00093660-01; NCGC00093660-02; NCGC00260866-01; BB164163; H350; NCI60_012280; Purine, 2-amino-6-(benzyloxy)- (, ); SY008080; O6-Benzylguanine, >=98% (TLC), solid; AM20060538; EU-0100181; FT-0650712; Y2972; B 2292; J10132; SR-01000075709; Q7072275; SR-01000075709-1; W-201741; OBG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637037	.	.	.	.	241.25	C12H11N5O	89.7	271	1.2	18	2	5	3	"InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)"	C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N	KRWMERLEINMZFT-UHFFFAOYSA-N
DG50141	Kombetin	4605	"MLS002702983; NSC25485; Acocantherin; Rectobaina; Solufantina; Strophalen; Strophoperm; Strophosan; Astrobain; Gratibain; Kombetin; Strodival; Uabaina; Strophanthin G; G-Strophicor; Gratus strophanthin; 630-60-4; NSC-25485; CHEMBL1720907; CHEBI:91723; HMS3267G08; MCULE-5547786885; NCI60_002047; SMR001551689; FT-0673316; FT-0771593; BRD-A46747628-001-01-9; Q27163538; 3-((6-deoxyhexopyranosyl)oxy)-1,5,11,14,19-pentahydroxycard-20(22)-enolide; Card-20(22)-enolide,5,11,14,19-pentahydroxy-, (1.beta.,3.beta.,5.beta.,11.alpha.)-; WLN: L E5 B666TJ A1Q CQ E1 IQ MQ QQ F- DT5OV EHJ& OO- BT6OTJ CQ DQ EQ F1; 3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, octahydrate, (1.beta.,3.beta.,5.beta.,11.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25485	.	.	.	.	584.7	C29H44O12	207	1080	-1.7	41	8	12	4	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3"	CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	LPMXVESGRSUGHW-UHFFFAOYSA-N
DG50142	Oxibendazole	4622	"Oxibendazole; 20559-55-1; Loditac; Filaribits Plus; Anthelcide EQ; Oxibendazolo; SK&F 30310; UNII-022N12KJ0X; Methyl 5-propoxy-2-benzimidazolecarbamate; methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate; Methyl 5-n-propoxy-2-benzimidazole carbamate; 5-Propoxy-2-benzimidazolecarbamic acid methyl ester; methyl (5-propoxy-1h-benzo[d]imidazol-2-yl)carbamate; MLS000069646; 022N12KJ0X; Methyl (5-propoxy-1H-benzimidazol-2-yl)carbamate; MFCD00133728; NSC-758459; NCGC00018238-04; (5-Propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester; SMR000058208; DSSTox_CID_25625; DSSTox_RID_81010; DSSTox_GSID_45625; methyl N-(5-propoxy-1H-benzimidazol-2-yl)carbamate; oxybendazole; Oxibendazolum; Carbamic acid, N-(6-propoxy-1H-benzimidazol-2-yl)-, methyl ester; Oxibendazolum [INN-Latin]; Oxibendazolo [INN-Spanish]; AJ119,(+); CAS-20559-55-1; EINECS 243-877-7; SKF 30310; Oxibendazole [USAN:INN:BAN]; N-(2-(5-Propoxybenzimidazolyl)) methyl carbamate; Anthelcide EQ (TN); Oxibendazole, ~98%; Spectrum_001699; 2-BENZIMIDAZOLECARBAMIC ACID, 5-PROPOXY-, METHYL ESTER; N-(Propoxy-5, benzimidazolyl)-2, carbamate de methyle [French]; Carbamic acid, (5-propoxy-1H-benzimidazol-2-yl)-, methyl ester; Spectrum2_001556; Spectrum3_001951; Spectrum4_000836; Spectrum5_001219; Oxibendazole (USAN/INN); 5-Propoxy-2-(methoxycarbonylamino)benzimidazole; cid_4622; BSPBio_003551; KBioGR_001411; KBioSS_002179; MLS006011733; DivK1c_000096; SCHEMBL168101; SPECTRUM1503373; SPBio_001432; CHEMBL1087630; DTXSID5045625; N-(Propoxy-5, benzimidazolyl)-2, carbamate de methyle; BDBM31048; CHEBI:92907; HMS500E18; KBio1_000096; KBio2_002179; KBio2_004747; KBio2_007315; KBio3_002864; NINDS_000096; HMS1922A22; HMS2090F21; HMS2094M09; HMS3713J18; Pharmakon1600-01503373; HY-B0299; ZINC4685859; Tox21_110844; CCG-39334; NSC758459; s1851; STL301145; AKOS015895323; Tox21_110844_1; AC-8714; CCG-220608; DB04910; MCULE-8346438764; NSC 758459; SK&F-30310; IDI1_000096; NCGC00018238-01; NCGC00018238-02; NCGC00018238-03; NCGC00018238-05; NCGC00018238-06; NCGC00018238-07; NCGC00018238-08; NCGC00018238-09; NCGC00023557-03; NCGC00023557-04; NCGC00023557-05; AS-12166; SY067010; DB-045281; Oxibendazole 100 microg/mL in Acetonitrile; 5-propoxy-2-(carbomethoxyamino)benzimidazole; FT-0630464; O0499; C73898; D05293; methyl 5-propoxy-1H-benzimidazol-2-ylcarbamate; AB00052350-06; AB00052350_07; AB00052350_08; Oxibendazole, VETRANAL(TM), analytical standard; 559O551; A814696; AJ-119/34637010; SR-01000000182; SR-05000002065; Q7115623; SR-01000000182-2; SR-05000002065-1; W-107609; BRD-K52075715-001-02-6; BRD-K52075715-001-03-4; BRD-K84514357-001-02-9; Methyl (6-propoxy-1H-benzo[d]imidazol-2-yl)carbamate; N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester; Oxibendazole, European Pharmacopoeia (EP) Reference Standard; Methyl (5-Propoxy-1H-benzo[d]imidazol-2-yl)carbamate / (5-Propoxy-1H-benzimidazol-2-yl)carbamic Acid Methyl Ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758459	.	.	.	.	249.27	C12H15N3O3	76.2	288	2.4	18	2	4	5	"InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)"	CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	RAOCRURYZCVHMG-UHFFFAOYSA-N
DG50143	Patulin	4696	"patulin; 149-29-1; Clavacin; Expansine; Clavatin; Expansin; Patuline; Claviform; Claviformin; Clairformin; Gigantin; Leucopin; Terinin; Mycoin C3; Tercinin; Mycoin; Mycoine C3; Penicidin; Mycosin; Penatin; Mycoin C; 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one; 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-; Sch-351633; 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one; NSC 8120; NSC 32951; 4-Hydroxy-4H-furo(3,2-C)pyran-2(6H)-one; (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid, 3,4-lactone; 4,6-Dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one; NSC8120; NSC32951; MFCD00005858; 4H-Furo(3,2-c)pyran-2(6H)-one, 4-hydroxy-; SCH 351633; (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid-3,4-lactone; 4,6-dihydro-4-hydroxy-2H-furo[3,2-c]pyran-2-one; CHEMBL294018; CHEBI:74926; Acetic acid, (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone; (2, 3,4-lactone; 4-Hydroxy-4,6-dihydrofuro[4,5-c]pyran-2-one; 4H-Furo[3, 4-hydroxy-; 4-hydroxy-4,6-dihydro-2H-furo[3,2-c]pyran-2-one; 2,.alpha.-acetic acid, 3,4-lactone; Patulin 100 microg/mL in Acetonitrile; WLN: T56 BOV GO IU & TJ FQ; CCRIS 4940; HSDB 3522; SR-05000002238; EINECS 205-735-2; BRN 0149675; Clavicin; Clavitin; Expansion; 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-, 3,4-lactone; Acetic acid,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone; Gigantic acid ; 4H-Furo(3,3-c)pyran-2(6H)-one, 4-hydroxy-; Spectrum_000015; Antibiotic YS 1649; 2,4-Dihydroxy-2H-pyran-delta-3(6H),alpha-acetic acid-3,4-lactone; Spectrum3_000796; Spectrum4_000753; Spectrum5_001659; 2H-Pyran-delta(sup 3(6H),alpha)-acetic acid, 2,4-dihydroxy-, 3,4-lactone; Antibiotic Sch 351633; Patulin, reference material; Neuro_000008; Clairformin;Patuline;Clavatin; SCHEMBL29056; BSPBio_002532; KBioGR_001106; KBioSS_000355; 5-18-03-00005 (Beilstein Handbook Reference); DivK1c_000438; SPECTRUM1503904; MEGxm0_000442; DTXSID2021101; ACon1_002106; HMS501F20; KBio1_000438; KBio2_000355; KBio2_002923; KBio2_005491; KBio3_001752; NINDS_000438; HMS1923M19; Patulin, >=98.0% (HPLC); BCP29227; EX-A5478; HY-N6779; NSC-8120; BDBM50158841; NSC-32951; AKOS015904103; BS-1260; CCG-208451; DB15586; YS 1649; IDI1_000438; SMP1_000230; NCGC00095272-01; NCGC00095272-02; NCGC00095272-03; NCGC00095272-04; NCGC00095272-05; NCI60_041782; DB-042987; 4-Hydroxy-4H,6H-furo[3,2-c]pyran-2-one; CS-0083018; FT-0631849; FT-0673527; 4-Hydroxy-4H-Furo(3,3-c)pyran-2(6H)-one; 4-hydroxy-2H,4H,6H-furo[3,2-c]pyran-2-one; Q414526; J-008576; SR-05000002238-2; SR-05000002238-3; 2,4-Dihydroxy-2H-pyran-alpha -acetic acid, 3, 4-lactone; 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one, 9CI, 8CI; 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-,3,4-lactone; 2H-Pyran-alpha )-acetic acid, 2, 4-dihydroxy-,3,4-lactone; 2H-Pyran-alpha )-acetic acid, 2,4-dihydroxy-, 3,4-lactone; Patulin solution, 100 mug/mL in acetonitrile, analytical standard; Patulin solution, 100 mug/mL in chloroform, analytical standard; 2,4-Dihydroxy-2H-pyran-.delta.-3(6H),.alpha.-acetic acid, 3,4-lactone; 2H-Pyran-.delta.(3(6H),.alpha.)-acetic acid, 2,4-dihydroxy-,3,4-lactone; Patulin solution, certified reference material, 100 mug/mL in chloroform, ampule of 1 mL; 247172-18-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32951	.	.	.	.	154.12	C7H6O4	55.8	264	-1	11	1	4	0	"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2"	C1C=C2C(=CC(=O)O2)C(O1)O	ZRWPUFFVAOMMNM-UHFFFAOYSA-N
DG50145	N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid	4742	"NSC272671; NSC-272671; N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid; CHEMBL38526; SCHEMBL19665773; HMS3374B07; HMS3745M07; Heptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	272671	.	.	.	.	685.9	C34H63N5O9	223	1060	3	48	8	9	22	"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)"	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O	FAXGPCHRFPCXOO-UHFFFAOYSA-N
DG50146	4-Phenylbutyric acid	4775	"4-PHENYLBUTYRIC ACID; 4-Phenylbutanoic acid; 1821-12-1; Benzenebutanoic acid; Benzenebutyric acid; Phenylbutyrate; Phenylbutyric acid; gamma-Phenylbutyric acid; omega-Phenylbutanoic acid; Butyric acid, 4-phenyl-; 4-PHENYL-BUTANOIC ACID; 4-Phenyl-n-butyric acid; 1-Phenylbutyric acid; 4-phenylbutyrate; GAMMA-PHENYL-BUTYRIC ACID; 4-Phenyl-butyric acid; omega-phenylbutyric acid; CHEBI:41500; PHENYLBUTANOIC ACID; UNII-7WY7YBI87E; gamma-Phenyl-n-butyric acid; MFCD00004403; .gamma.-Phenylbutyric acid; .omega.-Phenylbutanoic acid; 7WY7YBI87E; MLS000069408; PBA; 4-Phenylbutyric acid (4-PBA); SMR000059104; 4-Phenyl butyric acid; NSC 295; gamma-Phenylbutanoic acid; NCGC00018113-03; EINECS 217-341-8; HDInhib_000004; Benzenebutyrate; Benzenebutanoate; AI3-12065; g-Phenylbutyrate; g-Phenylbutanoate; w-Phenylbutanoate; g-phenyl-Butyrate; 4-phenyl-Butyrate; 2-methyl-1-phenyl-propan-2-amine; gamma-Phenylbutyrate; 4-Phenybutytic acid; g-Phenylbutyric acid; gamma-Phenylbutanoate; omega-Phenylbutanoate; 4-Phenyl-n-butyrate; g-Phenylbutanoic acid; gamma-phenyl-Butyrate; w-Phenylbutanoic acid; g-phenyl-Butyric acid; Spectrum_001331; 2ay7; 3tz2; Opera_ID_387; SpecPlus_000814; Spectrum2_001798; Spectrum3_000782; Spectrum4_000092; Spectrum5_001003; 4-PBA;Benzenebutyric acid; bmse000701; Epitope ID:167707; EC 217-341-8; SCHEMBL1716; CHEMBL1469; 3-phenylpropylcarboxylic acid; 4-Phenolsulfonic acid sodium; 4-Phenylbutyric acid, 99%; BSPBio_002484; KBioGR_000384; KBioSS_001811; MLS001076482; DivK1c_006910; SPBio_001755; .gamma.-Phenyl-n-butyric acid; GTPL8480; NSC295; DTXSID2037631; KBio1_001854; KBio2_001811; KBio2_004379; KBio2_006947; KBio3_001704; OBKXEAXTFZPCHS-UHFFFAOYSA-; ZINC56568; NSC-295; HMS2234G14; HMS3259M07; BCP10715; CS-D1686; HY-A0281; STR05306; BDBM50480960; CCG-39733; CX1106; HTS001426; s3592; STL164372; AKOS000154540; AC-3254; AM84635; DB06819; LS10686; MCULE-6322732346; NC00469; PS-4322; NCGC00018113-01; NCGC00018113-02; NCGC00018113-04; NCGC00018113-18; H331; NCI60_002455; NCI60_020145; SY004771; FT-0619401; FT-0673736; P0643; EN300-35719; C21793; A812651; Q-200507; BRD-K67102207-001-02-6; BRD-K67102207-236-01-0; Q27088364; F2190-0002; 1262970-43-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295	.	.	.	.	164.2	C10H12O2	37.3	137	2.4	12	1	2	4	"InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)"	C1=CC=C(C=C1)CCCC(=O)O	OBKXEAXTFZPCHS-UHFFFAOYSA-N
DG50147	Phenylmethylsulfonyl fluoride	4784	"Phenylmethylsulfonyl fluoride; PMSF; phenylmethanesulfonyl fluoride; 329-98-6; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Phenylmethylsulfonylfluoride; Benzylsulphonyl fluoride; alpha-Toluenesulphonyl fluoride; NSC 88499; Phenylmethylsulphonyl fluoride; UNII-57KD15003I; MFCD00007424; PHENYLMETHANESULPHONYL FLUORIDE; CHEBI:8102; CHEMBL190503; .alpha.-Toluenesulfonyl fluoride; 57KD15003I; EINECS 206-350-2; BRN 2088311; A-TOLUENESULPHONYL FLUORIDE; PHENYLMETHYLSULFONYL-FLUORIDE; Pms-F;PMSF; PMSF PLUS; A-Toluenesulfonyl fluoride; WLN: WSF1R; bmse000752; NCIOpen2_001527; Phenylmethanesulfonyl fluroide; SCHEMBL24938; 3-11-00-00331 (Beilstein Handbook Reference); phenyl methane sulfonylfluoride; phenyl-methyl-sulfonyl fluoride; phenylmethane-sulphonyl fluoride; PHENYLMETHANSULFOFLUORIDE; DTXSID6059819; YBYRMVIVWMBXKQ-UHFFFAOYSA-; A-TOLUENE SULFONYL FLUORIDE; HMS3656J16; HMS3885O03; AMY27009; HY-B0496; NSC88499; PMSF, Phenylmethylsulfonyl fluoride; ZINC8220691; BDBM50171289; HSCI1_000354; NSC-88499; PMSF (Phenylmethylsulfonyl Fluoride); s3025; AKOS001270830; Phenylmethanesulfonyl fluoride solution; AS03388; CCG-207862; CCG-208035; MCULE-4344160591; NCGC00346705-01; L948; NCI60_041962; PHENYLMETHANESULFONIC ACID FLUORIDE; PS-10935; SY038235; DB-048310; B3473; FT-0631967; SW219534-1; EN300-24380; C06747; P-4170; Phenylmethanesulfonyl fluoride, >=98.5% (GC); Phenylmethanesulfonyl fluoride, >=99.0% (T); AB01566861_01; A821558; Q411575; BRD-K33422401-001-01-5; Z199409122; Phenylmethanesulfonyl fluoride solution, ~0.1 M in ethanol (T); PMF"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88499	.	.	.	.	174.19	C7H7FO2S	42.5	199	1.3	11	0	3	2	"InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)CS(=O)(=O)F	YBYRMVIVWMBXKQ-UHFFFAOYSA-N
DG50148	Pipamperone	4830	"Pipamperone; Floropipamide; 1893-33-0; Dipiperon; Dipiperone; Dipiperal; Piperonyl; Piperonil; Pipamperona; Pipamperonum; R 3345; pipamperone hydrochloride; McN-JR-3345; Pipaneperone; Pipamperone free base; UNII-5402501F0W; PIPAMPERONE DIHYDROCHLORIDE  APPROX. 99; (1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(3-(p-FLUOROBENZOYL)PROPYL)-; CHEBI:78549; 1893-33-0 (free base); 4'-Fluoro-4-(4-N-piperidino-4-carbamidopiperidino)butyrophenone; p-Fluoro-gamma-(4-piperidino-4-carbamoylpiperidino)butyrophenone; 1'-(3-(p-Fluorobenzoyl)propyl)-(1,4'-bipiperidine)-4'-carboxamide; Carpiperone; Fluoropipamide; [1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-; 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide; NSC-759178; Floropipamide; McN-JR 3345; R 3345; 5402501F0W; 1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide; R-3345; Pipamperon; (1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-; 1'-(4-(4-fluorophenyl)-4-oxobutyl)-[1,4'-bipiperidine]-4'-carboxamide; 1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-; Pipamperonum [INN-Latin]; Pipamperona [INN-Spanish]; Pipamperone [USAN:INN:BAN]; CCRIS 9071; NCGC00165864-02; BRN 0496532; 1'-(4-(4-fluorophenyl)-4-oxobutyl)-1,4'-bipiperidine-4'-carboxamide; 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide; 1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-; Propitan (Salt/Mix); Isonipacotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-; Pipamperone (USAN/INN); GTPL92; SCHEMBL2412; 5-22-13-00536 (Beilstein Handbook Reference); McN-JR 3345; CHEMBL440294; DTXSID8048369; BDBM81483; HMS3264G14; Pharmakon1600-01505690; NSC_4830; 1'-(3-(p-Fluorobenzoyl)propyl)(1,4'-bipiperidine)-4'-carboxamide; MFCD00242979; NSC759178; PDSP1_001560; PDSP2_001544; ZINC21297287; CCG-213514; DB09286; NSC 759178; NCGC00165864-01; AC-32938; PIPAMPERONEDIHYDROCHLORIDEAPPROX.99; CAS_1893-33-0; SBI-0206899.P001; HY-100703; CS-0020023; P2315; D02622; AB01563106_01; A929272; L000727; Q415118; SR-05000001930; SR-05000001930-1; BRD-K26801045-001-01-1; Isonipecotamide, 1-(3-(p-fluorobenzoyl)propyl)-4-piperidino-; p-Fluoro-.gamma.-(4-piperidino-4-carbamoylpiperidino)butyrophenone; 1-(4-fluorophenyl)-4-(4-piperidino-4-carbamoylpiperidino)-1-butanone; Floropipamide / 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4'-bipiperidine]-4'-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759178	.	.	.	.	375.5	C21H30FN3O2	66.6	506	2	27	1	5	7	"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)"	C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N	AXKPFOAXAHJUAG-UHFFFAOYSA-N
DG50149	Pipobroman	4842	"pipobroman; 54-91-1; Vercyte; Amedel; 1,1'-(Piperazine-1,4-diyl)bis(3-bromopropan-1-one); Pipobromanum; 1,4-Bis(3-bromopropionyl)piperazine; A-8103; Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-; N,N-Bis-(3-bromopropionyl)-piperazine; NSC-25154; A 1803; Piperazine, 1,4-bis(3-bromopropionyl)-; 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one; UNII-6Q99RDT97R; 1,4-Bis(3-bromopropanoyl)piperazine; N,N'-Bis(3-bromopropionyl)piperazine; NSC25154; 6Q99RDT97R; CHEBI:8242; NCGC00095048-01; DSSTox_CID_3485; DSSTox_RID_77048; DSSTox_GSID_23485; Pipobromanum [INN-Latin]; CAS-54-91-1; CCRIS 2753; HSDB 3249; SR-05000001858; VERCYTE (TN); NSC 25154; BRN 0749866; Pipobroman (JAN/USAN/INN); Pipobroman [USAN:USP:INN]; AI3-50113; Spectrum_001727; Spectrum2_000912; Spectrum3_001047; Spectrum5_001135; 4-Chlorophenylphenylsulfone; SCHEMBL4889; CHEMBL1585; BSPBio_002574; KBioSS_002207; DivK1c_000799; SPECTRUM1503393; SPBio_000784; GTPL7271; DTXSID7023485; HMS502H21; KBio1_000799; KBio2_002207; KBio2_004775; KBio2_007343; KBio3_001794; NINDS_000799; HMS1922C10; HMS2093E11; Pharmakon1600-01503393; WLN: T6N DNTJ AV2E DV2E; BCP31516; ZINC1530753; 1,4-di(3-bromopropionyl)piperazine; Tox21_111402; 7981AB; CCG-39748; MFCD00866372; NSC758461; Piperazine,4-bis(3-bromopropionyl)-; s4447; 1, 4-Bis(3-bromopropionyl)piperazine; AKOS016010321; Tox21_111402_1; CS-5085; DB00236; DS-4654; NSC-758461; 1,4-Bis(3-bromopropanoyl)piperazine #; IDI1_000799; NCGC00095048-02; NCGC00095048-03; NCGC00095048-04; NCGC00095048-06; HY-16398; NCI60_002008; Piperazine,4-bis(3-bromo-1-oxopropyl)-; A 8103; C07362; D00467; W18797; AB00052352-02; AB00052352_03; 1,1'-piperazine-1,4-diylbis(3-bromopropan-1-one); SR-05000001858-1; SR-05000001858-2; Q15366704; Vercyte;NSC-25154;1,4-Bis(3-bromo-1-oxopropyl)piperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25154	.	.	.	.	356.05	C10H16Br2N2O2	40.6	227	0.4	16	0	2	4	InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2	C1CN(CCN1C(=O)CCBr)C(=O)CCBr	NJBFOOCLYDNZJN-UHFFFAOYSA-N
DG50150	Pomiferin	4871	"pomiferin; 572-03-2; UNII-74YIS40APM; CHEBI:8329; NSC5113; 74YIS40APM; MLS002701889; NSC-5113; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one; 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-; Spectrum_000295; AI3-22130; Spectrum2_000799; Spectrum3_000685; Spectrum4_001808; Spectrum5_000515; NCIStruc1_001168; NCIStruc2_001049; BSPBio_002409; KBioGR_002419; KBioSS_000775; SPECTRUM201580; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one; DivK1c_000996; SPBio_000938; CHEMBL393136; SCHEMBL8059171; HMS503G13; KBio1_000996; KBio2_000775; KBio2_003343; KBio2_005911; KBio3_001629; DTXSID00205831; NCI5113; NINDS_000996; HMS1923A09; ZINC899897; HY-N4315; BDBM50476976; CCG-36078; CCG-37331; LMPK12050244; NCGC00013053; AKOS037515007; MCULE-3476922697; SDCCGMLS-0066466.P001; IDI1_000996; NCGC00013053-02; NCGC00013053-03; NCGC00013053-04; NCGC00013053-05; NCGC00013053-06; NCGC00095220-01; NCGC00095220-02; NCGC00095220-03; NCGC00178667-01; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H-pyrano(2,3-h)chromen-4-one; NCI60_004233; SMR001565475; CS-0032736; SR-05000002658; SR-05000002658-1; BRD-K50660510-001-04-0; Q25323752; 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4H,8H- pyrano[2,3-h]chromen-4-one; 4H,2-b:3,4-b']dipyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-; NCGC00013053-07!3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5113	.	.	.	.	420.5	C25H24O6	96.2	792	5.5	31	3	6	3	"InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3"	CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C	GHCZYXUOYFOXIP-UHFFFAOYSA-N
DG50151	"N-(1,4-dioxonaphthalen-2-yl)benzamide"	4882	"ppm-18; 65240-86-0; NQN-1; n-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)benzamide; N-(1,4-dioxonaphthalen-2-yl)benzamide; 2-Benzoylamino-1,4-naphthoquinone; MLS002693850; 2-Benzamido-1,4-naphthoquinone; 2-Benzamido- 1,4-naphthoquinone; SMR001559791; NSC73233; NSC 73233; cid_4882; NCIOpen2_004005; SCHEMBL170388; GTPL7058; N-(1,4-dihydro-1,4-dioxo-2-naphthalenyl)-benzamide; CHEMBL1717890; BDBM80067; DTXSID80274449; CHEBI:185746; HMS3085F17; ZINC1698939; 1995AH; HSCI1_000119; NSC-73233; N-(1,4-diketo-2-naphthyl)benzamide; N-(1,4-dioxo-2-naphthalenyl)benzamide; SR-01000880847; N-[1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide; SR-01000880847-2; Q27088039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73233	.	.	.	.	277.27	C17H11NO3	63.2	488	2.9	21	1	3	2	"InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)"	C1=CC=C(C=C1)C(=O)NC2=CC(=O)C3=CC=CC=C3C2=O	BIVQBWSIGJFXLF-UHFFFAOYSA-N
DG50152	Probucol	4912	"probucol; 23288-49-5; Lorelco; Biphenabid; Bisphenabid; Lurselle; Bisbid; Lesterol; Lursell; DH-581; Panavir; Probucolum; Sinlestal; Probucolum [INN-Latin]; DH 581; Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol); 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol; UNII-P3CTH044XJ; NSC 86225; NSC 652160; Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; 2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol; CHEMBL608; 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol); 4,4'-(propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butylphenol); P3CTH044XJ; MLS000028492; CHEBI:8427; NSC86225; Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-; MFCD00079281; NSC-86225; NSC652160; NSC-652160; 4,4'-(Isopropylidenedithio)bis(2, 6-di-tert-butylphenol); 4,4'-(Isopropylidenedithio)bis[2, 6-di-tert-butylphenol]; NCGC00016777-01; SMR000058265; Superlipid; CAS-23288-49-5; DSSTox_CID_25440; DSSTox_RID_80881; DSSTox_GSID_45440; 4,4'- (Isopropylidenedithio)bis(2,6-di-tert-butylphenol); C31H48O2S2; Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-; CCRIS 7510; DH581; SR-01000695447; LORELCO (TN); EINECS 245-560-9; BRN 2026253; Serterol; Probucol,(S); Prestwick_408; Probucol [USAN:USP:INN:BAN:JAN]; DE-3872; Spectrum_001296; Acetone, bis (3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; Opera_ID_1820; Prestwick0_000384; Prestwick1_000384; Prestwick2_000384; Prestwick3_000384; Spectrum2_001400; Spectrum3_001438; Spectrum4_000414; Spectrum5_001343; SCHEMBL4150; BSPBio_000567; BSPBio_003176; KBioGR_000708; KBioGR_002394; KBioSS_001776; KBioSS_002399; Probucol, analytical standard; DivK1c_000599; SPECTRUM1501109; Probucol (JP17/USP/INN); SPBio_001420; SPBio_002488; BPBio1_000625; GTPL7277; DTXSID2045440; HMS501N21; KBio1_000599; KBio2_001776; KBio2_002394; KBio2_004344; KBio2_004962; KBio2_006912; KBio2_007530; KBio3_002396; KBio3_002873; cMAP_000039; NINDS_000599; 4,4'- (Isopropylidenedithio)bis(2, 6-di-tert-butylphenol); HMS1569M09; HMS1921D21; HMS2092D05; HMS2096M09; HMS2233C08; HMS3655P19; HMS3713M09; Pharmakon1600-01501109; BCP06487; HY-B0388; ZINC1530755; Tox21_110605; BDBM50007260; CCG-38986; NSC757837; s2119; STK762566; AKOS001740866; Tox21_110605_1; DB01599; KS-1459; MCULE-4445301513; NSC-757837; 2,6-bis(tert-butyl)-4-{1-[3,5-bis(tert-butyl)-4-hydroxyphenylthio]-isopropylth io}phenol; IDI1_000599; NCGC00016777-02; NCGC00016777-03; NCGC00016777-04; NCGC00016777-05; NCGC00016777-06; NCGC00016777-07; NCGC00016777-08; NCGC00094895-01; NCGC00094895-02; NCGC00094895-03; NCGC00094895-04; AC-31457; BP166196; SBI-0051640.P002; DB-046120; AB00052202; FT-0630498; P2002; SW196648-3; C07373; D00476; F20384; AB00052202_14; AB00052202_15; 288P495; A918612; Acetone,5-di-tert-butyl-4-hydroxyphenyl) mercaptole; SR-01000695447-2; SR-01000695447-3; W-107409; BRD-K72029282-001-04-8; BRD-K72029282-001-15-4; Q10354103; Acetone bis(3,5-di-t-butyl-4-hydroxyphenyl) mercaptole; Z1551900339; Probucol, United States Pharmacopeia (USP) Reference Standard; Phenol,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-; 2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenol; 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol]; 2,6-di(tert-butyl)-4-[(1-{[3,5-di(tert-butyl)-4-hydroxyphenyl]sulfanyl}-1-methylethyl)sulfanyl]phenol; 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol; 2,6-di(tert-butyl)-4-{1-[3,5-di(tert-butyl)-4-hydroxyphenylsulfanyl]-1-methylethylsulfanyl}phenol(probucol); 2,6-Di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenol; 2,6-Ditert-butyl-4-((1-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl]-1-methylethyl)sulfanyl)phenol #; 2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86225	.	.	.	.	516.799	C31H48O2S2	91.1	583	11.3	35	2	4	8	"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C	FYPMFJGVHOHGLL-UHFFFAOYSA-N
DG50153	Propyl gallate	4947	"propyl gallate; 121-79-9; Propyl 3,4,5-trihydroxybenzoate; N-Propyl gallate; Tenox PG; Progallin P; Gallic acid, propyl ester; Nipagallin P; Gallic acid propyl ester; NIPA 49; 3,4,5-Trihydroxybenzoic acid propyl ester; Benzoic acid, 3,4,5-trihydroxy-, propyl ester; n-Propyl 3,4,5-trihydroxybenzoate; 3,4,5-Trihydroxybenzene-1-propylcarboxylate; Propylester kyseliny gallove; n-Propyl ester of 3,4,5-trihydroxybenzoic acid; FEMA No. 2947; Gallic acid n-propyl ester; NSC 2626; 3,4,5-Trihydroxybenzoic acid, propyl ester; NCI-C505888; 3,4,5-Trihydroxybenzoic acid n-propyl ester; UNII-8D4SNN7V92; Nipanox S 1; Propyl gallate (NF); Propyl gallate [NF]; CHEMBL7983; Gallic acid, n-propyl ester; E310; 8D4SNN7V92; CHEBI:10607; NSC2626; NSC-2626; MFCD00002196; NCGC00164234-01; DSSTox_CID_1201; DSSTox_RID_76009; DSSTox_GSID_21201; Gallate, Propyl; Pro gallin P; CAS-121-79-9; CCRIS 541; HSDB 591; n-Propyl-3,4,5-Trihydroxybenzoate; EINECS 204-498-2; Propylester kyseliny gallove [Czech]; Propyl galiate; AI3-17136; l ester; n-propyl-gallate; Sustane PG; n-Propyl gallate; ; Propylgallate,(S); Propyl Gallate FCC; Propyl gallate, powder; Propyl gallate, 98%; Gallic acid-propyl ester; 3,4,5-Trihydroxy-benzoic acid propyl ester; Gallic acid propyl esterZ; Propyl gallate (e 310); Oprea1_580415; SCHEMBL22630; CBDivE_013134; BIDD:ER0334; Propyl 3,5-trihydroxybenzoate; WLN: QR BQ CQ EVO3; INS NO.310; DTXSID5021201; FEMA 2947; n-Propyl 3,5-trihydroxybenzoate; Propyl gallate, >=98%, FCC; INS-310; NCI-C50588; Anhydrous propyl gallate (e 310); BCP13340; HY-N0524; ZINC1532172; Tox21_113531; Tox21_202286; Tox21_300060; BDBM50032154; s5113; 3,4,5-Trihydroxy-benzoic acid propy; AKOS001603853; ANGC-121-79-9; 5-Methyl-4,5-dihydrothiazole-2-thiol; CCG-207932; DB12450; MCULE-2693876364; NCGC00164234-02; NCGC00164234-03; NCGC00164234-04; NCGC00254138-01; NCGC00259835-01; 3,5-Trihydroxybenzene-1-propylcarboxylate; 3,5-Trihydroxybenzoic acid, propyl ester; AC-11365; AC-34485; AS-11986; NCI60_002094; Propyl gallate, USP, 98.0-102.0%; DB-003766; Benzoic acid,4,5-trihydroxy-, propyl ester; CS-0009059; E-310; EU-0036319; FT-0626599; G0018; n-Propyl ester of 3,5-trihydroxybenzoic acid; A19435; D02382; J10100; Propyl gallate, antioxidant, >=98.0% (HPLC); Q608726; SR-01000944710; Propyl gallate, for microscopy, >=98.0% (HPLC); Q-201634; SR-01000944710-1; EFFF5FFA-651C-4DE3-A25F-D807C65D5537; Propyl gallate, European Pharmacopoeia (EP) Reference Standard; Propyl gallate, United States Pharmacopeia (USP) Reference Standard; Propyl gallate, Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2626	.	.	.	.	212.2	C10H12O5	87	206	1.8	15	3	5	4	"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3"	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O	ZTHYODDOHIVTJV-UHFFFAOYSA-N
DG50154	Pyrimethamine	4993	"pyrimethamine; 58-14-0; Daraprim; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; Chloridine; Diaminopyritamin; Ethylpyrimidine; Pirimetamin; Chloridin; Chloridyn; Pirimecidan; Pirimetamina; Pyrimethamin; Malocide; Primethamine; Darachlor; Erbaprelina; Khloridin; Tindurin; Malocid; Pyrimethaminum; 5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE; Darapram; Daraprime; Malacid; Maloprim; Pyremethamine; 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-; 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine; RP 4753; 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine; BW 50-63; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine; TCMDC-125860; NCI-C01683; WR 2978; 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine; UNII-Z3614QOX8W; GNF-Pf-5586; 4753 R.P.; TCMDC-123831; NSC-3061; CHEMBL36; 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE; 2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-; MLS000028606; MLS002701881; CHEBI:8673; Z3614QOX8W; Daraclor; NSC3061; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-; CAS-58-14-0; NCGC00016256-08; SMR000058714; Tinduring; Pirimetamina [Spanish]; DSSTox_CID_1217; DSSTox_RID_76016; DSSTox_GSID_21217; CP6; Pirimetamina [INN-Spanish]; Pyrimethaminum [INN-Latin]; BRD9204; BRD-9204; Daraprim (TN); CCRIS 546; Pyrimethamine (Pyr); SR-01000003150; NSC 3061; EINECS 200-364-2; BRN 0219864; CRL-8131 & Pyrimethamine; CRL-8142 & Pyrimethamine; Lactoferrin B & Pyrimethamine; Lactoferrin H & Pyrimethamine; AI3-25005; Pyrimethamine (JAN/USP/INN); AZT + Pyrimethamine combination; HSDB 8042; EXR-101; Pyrimethamine [USP:INN:BAN:JAN]; Prestwick_504; MFCD00057350; BW 5063; Daraclor (Salt/Mix); Spectrum_000906; 4km0; CPD000058714; Opera_ID_1437; Prestwick0_000037; Prestwick1_000037; Prestwick2_000037; Prestwick3_000037; Spectrum2_000886; Spectrum3_001701; Spectrum4_000494; Spectrum5_001447; cid_4993; NCIOpen2_008313; BIDD:PXR0173; SCHEMBL25129; BSPBio_000133; BSPBio_003282; KBioGR_001007; KBioSS_001386; MLS001148621; MLS002454446; BIDD:GT0149; DivK1c_000652; SPECTRUM1500520; SPBio_000672; SPBio_002054; BPBio1_000147; GTPL4800; DTXSID9021217; BDBM18512; HMS502A14; KBio1_000652; KBio2_001386; KBio2_003954; KBio2_006522; KBio3_002502; ZINC57464; NINDS_000652; Pirimecidan;Pirimetamin;RP 4753; HMS1568G15; HMS1920N12; HMS2092E13; HMS2095G15; HMS2235A17; HMS3259C04; HMS3371L07; HMS3655D09; HMS3675P11; HMS3712G15; HMS3743O05; HMS3871I03; Pharmakon1600-01500520; 2, 5-(p-chlorophenyl)-6-ethyl-; 2, 5-(4-chlorophenyl)-6-ethyl-; Tox21_110332; Tox21_201834; Tox21_300129; CCG-39626; NSC757306; AKOS015892534; Tox21_110332_1; AB02313; AC-7879; CS-1717; DB00205; KS-5223; LS40239; NC00528; NSC-757306; RP-4753; WR-2978; IDI1_000652; NCGC00016256-01; NCGC00016256-02; NCGC00016256-03; NCGC00016256-04; NCGC00016256-05; NCGC00016256-06; NCGC00016256-07; NCGC00016256-09; NCGC00016256-10; NCGC00016256-11; NCGC00016256-12; NCGC00016256-13; NCGC00016256-14; NCGC00016256-16; NCGC00016256-17; NCGC00023188-03; NCGC00023188-04; NCGC00023188-05; NCGC00023188-06; NCGC00023188-07; NCGC00254199-01; NCGC00259383-01; WLN: T6N CNJ BZ DZ ER DG& F2; HY-18062; NCI60_002604; SBI-0051500.P003; DB-053158; AB00052084; FT-0631253; P2037; S2006; SW196698-3; C07391; D00488; MLS-0002822.0001; AB00052084-21; AB00052084_22; AB00052084_25; 057P350; 2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine; A831755; L000713; Pyrimethamine, VETRANAL(TM), analytical standard; Pyrimidine,4-diamino-5-(p-chlorophenyl)-6-ethyl-; Q421072; 2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine; 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidine; 2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine; Q-201648; SR-01000003150-2; SR-01000003150-4; BRD-K88429204-001-05-4; BRD-K88429204-001-18-7; BRD-K88429204-001-21-1; BRD-K88429204-001-36-9; Z2065727768; 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, 97%; Pyrimethamine, European Pharmacopoeia (EP) Reference Standard; Pyrimethamine, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3061	.	.	.	.	248.71	C12H13ClN4	77.8	243	2.7	17	2	4	2	"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	WKSAUQYGYAYLPV-UHFFFAOYSA-N
DG50155	Pyroxamide	4996	"pyroxamide; 382180-17-8; N1-hydroxy-N8-(pyridin-3-yl)octanediamide; N-Hydroxy-N'-3-pyridinyloctanediamide; NSC-696085; N'-hydroxy-N-pyridin-3-yloctanediamide; UNII-12N86DSS23; Octanediamide, N-hydroxy-N'-3-pyridinyl-; NSC696085; 12N86DSS23; C13H19N3O3; Octanedioic acid hydroxyamide pyridin-3-ylamide; NSC 696085; POLAR HYBRID COMPOUND; suberoyl-3-aminopyridineamide hydroxamic acid; N-Hydroxy-N'-(3-pyridyl)-1,8-octanediamide; 8-(hydroxyamino)-8-oxo-N-(3-pyridyl)octanamide; MLS006010135; SCHEMBL154681; CHEMBL353581; Pyroxamide - NSC 696085; Pyroxamide, >=97% (HPLC); CHEBI:93953; DTXSID70191595; EX-A085; BCPP000095; BCP02301; ZINC3820709; BDBM50473982; MFCD13194970; AKOS015899763; DB12847; N-(3-Pyridyl)-N'-hydroxyoctanediamide; QC-1959; N-Hydroxy-N'-3-pyridinyloctanediamid e; N\\'-hydroxy-N-pyridin-3-yloctanediamide; NCGC00346891-01; AS-19542; HY-13216; NCI60_034337; SMR004701260; CS-0003180; FT-0734893; Y0215; A25478; 180P178; A1-01901; BRD-K11663430-001-01-5; Q27165709"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696085	.	.	.	.	265.31	C13H19N3O3	91.3	284	0.9	19	3	4	8	"InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)"	C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO	PTJGLFIIZFVFJV-UHFFFAOYSA-N
DG50156	Quinalizarin	5004	"quinalizarin; 1,2,5,8-Tetrahydroxyanthraquinone; 81-61-8; Alizarinbordeaux; Alizarine Bordeaux B; 1,2,5,8-tetrahydroxyanthracene-9,10-dione; Khinalizarin; Quinalizarine; Alizarine Bordeaux; 1,4,5,6-Tetrahydroxyanthraquinone; C.I. Mordant Violet 26; 1,2,5,8-Tetrahydroxy-9,10-anthraquinone; 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-; Alizarin Bordeaux BD; C.I. 58500; 1,2,5,8-Tetrahydroxy-9,10-anthracenedione; NSC 144046; 1,2,5,8-Tetrahydroxyanthracinon; UNII-6D43C3LYSG; NSC 4896; Anthraquinone, 1,2,5,8-tetrahydroxy-; NSC4896; 6D43C3LYSG; CHEMBL29898; 1,2,5,8-Tetrahydroxyanthra-9,10-quinone; CHEBI:37495; 1,2,5,8-Tetrahydroxy-Anthraquinone; MFCD00001205; 1,5,8-Tetrahydroxyanthracinon; 9, 1,2,5,8-tetrahydroxy-; 1,5,8-Tetrahydroxyanthraquinone; Anthraquinone,2,5,8-tetrahydroxy-; 1,5,8-Tetrahydroxy-9,10-anthraquinone; CCRIS 5598; EINECS 201-366-6; 1,2,5,8-Tetrahydroxy anthraquinone; BRN 1889617; Alizarinbordeux; Chinalizarin; Quinalizarin, E; TXQ; Mordant Violet 26; Spectrum_000952; 3fl5; Spectrum2_001362; Spectrum3_000778; Spectrum4_000998; Spectrum5_000846; BSPBio_002456; KBioGR_001435; KBioSS_001432; 4-08-00-03683 (Beilstein Handbook Reference); DivK1c_000144; SCHEMBL138122; SPECTRUM1500759; SPBio_001284; DTXSID4052558; HMS500H06; KBio1_000144; KBio2_001432; KBio2_004000; KBio2_006568; KBio3_001676; PHF 016; Quinalizarin, >=95% (HPLC); NINDS_000144; HMS1923K15; NSC-4896; ZINC3874832; BBL012309; BDBM50041419; CCG-38979; NSC144046; STK803167; AKOS004901435; DB08660; MCULE-6434498680; NSC-144046; 1, 2, 5, 8-Tetrahydroxyanthraquinone; IDI1_000144; NCGC00095268-01; NCGC00095268-02; NCGC00095268-03; NCI60_004175; VS-03274; 1,5,8,10-tetrahydroxy-2,9-anthraquinone; 2,5,8,9-tetrahydroxy-1,10-anthraquinone; 2,8,9,10-tetrahydroxy-1,5-anthraquinone; 4,5,6,9-tetrahydroxy-1,10-anthraquinone; 4,7,8,9-tetrahydroxy-1,10-anthraquinone; 4,8,9,10-tetrahydroxy-1,7-anthraquinone; 5,6,9,10-tetrahydroxy-1,4-anthraquinone; 5,8,9,10-tetrahydroxy-1,2-anthraquinone; FT-0606262; X6974; 1,2,5,8-Tetrahydroxyanthra-9,10-quinone #; 3,4-Dihydro-4-oxo-5-quinazolinecarboxylicacid; A840172; SR-01000196297; Q1073575; SR-01000196297-1; 1,2,5,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4896	.	.	.	.	272.21	C14H8O6	115	435	2.5	20	4	6	0	"InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H"	C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O	VBHKTXLEJZIDJF-UHFFFAOYSA-N
DG50157	rac-3-Octadecanamido-2-methoxypropyl phosphocholine	5030	"88876-07-7; rac-3-Octadecanamido-2-methoxypropyl phosphocholine; CP-50; rac-3-Octadecanamido-2-Methoxypropan-1-ol Phosphocholine; NSC624872; 163702-19-0; [2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (1)-; NSC 624872; CHEMBL31303; SCHEMBL7450233; DTXSID301008543; NSC-624872; FT-0673181; 2-Methoxy-3-stearamidopropyl (2-(trimethylammonio)ethyl) phosphate; rac-2-Methoxy-3-octadecanamido-1-propylphosphocholine, >96% (TLC); 2-[hydroxy-[2-methoxy-3-(octadecanoylamino)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium; 3-[(1-Hydroxyoctadecylidene)amino]-2-methoxypropyl 2-(trimethylazaniumyl)ethyl phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624872	.	.	.	.	536.7	C27H57N2O6P	96.9	563	6.6	36	1	6	26	"InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)28-24-26(33-5)25-35-36(31,32)34-23-22-29(2,3)4/h26H,6-25H2,1-5H3,(H-,28,30,31,32)"	CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC	KTJPWDKOKGANNX-UHFFFAOYSA-N
DG50159	NSC359079	5043	"MLS002701854; 93908-02-2; 5,21-Dichloro-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione; NSC359079; Neuro_000196; CHEMBL27000; SCHEMBL12961242; NSC-359079; NCI60_003256; SMR001565446; A20190; 5H-Indolo[2,4-c]carbasole-5,7(6H)-dione, 1,11-dichloro-12,13-dihydro-12-(4-O-methyl-.beta.-D-glucopyranosyl)-; 5H-Indolo[2,4-c]carbazole-5,7(6H)-dione, 1,11-dichloro-12,13-dihydro-12-(4-O-methyl-.beta.-D-glucopyranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359079	.	.	.	.	570.4	C27H21Cl2N3O7	146	1010	2.6	39	5	7	3	"InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)"	COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO	QEHOIJJIZXRMAN-UHFFFAOYSA-N
DG50160	"1-[3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide"	5064	"1-pentofuranosyl-1h-1,2,4-triazole-3-carboxamide; Ribasphere; ICN 1229; 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide; NSC 163039; Ribamide; Ribamidil; 1H-1,2,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide; 1192243-01-8; NSC163039; NCGC00015904-02; RTC; Rebetron (Salt/Mix); CHEMBL34; Oprea1_061838; SCHEMBL4064991; CHEBI:94463; HMS3259D04; HMS3371C16; HMS3656E10; BBL005903; STK029646; STL454985; ZINC01035331; ZINC01091444; AKOS005380958; MCULE-1246105264; NC00688; NCGC00015904-05; NCGC00095898-01; SY055294; VS-01598; FT-0630597; FT-0649908; FT-0674408; EN300-49855; BRD-A96255180-001-01-2; Q27166325; 1,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-,beta,-D-Ribofuranosyl-1,2,4-triazole-3-carboxamide; 1-pentofuranosyl-1H-1,2,4-triazole-3-carboximidic acid; 1,2,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-.beta.-D-Ribofuranosyl-1H-1,2,4-triazole-3-carboxamide; 1-.beta.-D-Ribofuranosyl-1H-1,4-triazole-3-carboxamide; 1H-1,4-Triazole-3-carboxamide, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1H-1,2,4-triazole-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163039	.	.	.	.	244.2	C8H12N4O5	144	304	-1.8	17	4	7	3	"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)"	C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N	IWUCXVSUMQZMFG-UHFFFAOYSA-N
DG50161	Ritanserin	5074	"ritanserin; 87051-43-2; Tiserton; Ritanserine; Ritanserina; Ritanserinum; R-55667; R 55,667; 6-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; UNII-145TFV465S; 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one; MFCD00069341; MLS000069360; CHEMBL267777; 6-(2-(4-(Bis(4-fluorophenyl)methylene)piperidin-1-yl)-ethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-(4-(Bis(p-fluorophenyl)methylene)-piperidino)ethyl)-7-methyl-5H-thiazolo-(3,2-a)pyrimidin-5-one; 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; CHEBI:64195; 145TFV465S; NSC-758470; NCGC00015877-06; SMR000058511; DSSTox_CID_22594; DSSTox_RID_80055; DSSTox_GSID_42594; 6-[2-[4-(bis(4-Fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[2,3-b]pyrimidin-5-one; Ritanserine [French]; Ritanserinum [Latin]; Ritanserina [Spanish]; C27H25F2N3OS; 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-bis(4-fluorophenyl)methylene)-1-piperidinyl)ethyl)-7-methyl-; 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; CAS-87051-43-2; SR-01000000024; Ritanserin [USAN:INN:BAN]; Ritanserin, powder; Tiserton (TN); 5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-[2-[4-bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-; 6-[2-[4-[Bis(p-fluorophenyl)methylene]-piperidino]ethyl]-7-methyl-5H-thiazolo-[3,2-a]pyrimidin-5-one; Spectrum_001830; Lopac-R-103; Opera_ID_1609; Ritanserin (USAN/INN); Spectrum2_001560; Spectrum3_001023; Spectrum5_001504; GTPL97; cid_5074; Lopac0_001083; REGID_for_CID_5074; SCHEMBL49227; BSPBio_002805; KBioSS_002335; MLS001148629; DivK1c_000192; SPBio_001440; DTXSID9042594; HMS500J14; KBio1_000192; KBio2_002332; KBio2_004900; KBio2_007468; KBio3_002025; NINDS_000192; HMS2093E19; HMS2233M22; HMS3263I08; HMS3268O04; HMS3373O19; HMS3412N14; HMS3676N14; Pharmakon1600-01503421; ZINC538314; BCP13728; Tox21_110251; Tox21_501083; 3726AC; BDBM50001775; CCG-39338; NSC758470; NSC805597; AKOS015909799; Tox21_110251_1; DB12693; LP01083; NSC 758470; NSC-805597; SDCCGSBI-0051053.P004; 6-[2-[4-[Bis(4-fluorophenyl)Methylidene]piperidin-1-yl]ethyl]-7-Methyl-[1,3]thia; IDI1_000192; NCGC00015877-01; NCGC00015877-02; NCGC00015877-03; NCGC00015877-04; NCGC00015877-05; NCGC00015877-07; NCGC00015877-08; NCGC00015877-09; NCGC00015877-11; NCGC00015877-15; NCGC00022447-03; NCGC00022447-04; NCGC00022447-05; NCGC00178460-01; NCGC00261768-01; 6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; AC-30888; BS-49232; HY-10791; SY274388; SBI-0051053.P003; DB-056967; B6898; CS-0002823; EU-0101083; FT-0630948; R-103; D05738; AB00053288_14; 051R432; A848404; L001003; R 55667R 55667; Q3937260; SR-01000000024-3; SR-01000000024-4; BRD-K40887525-001-02-9; BRD-K40887525-001-14-4; ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; 6-[2-[4-bis(4-Fluorophenyl)methylene]-1-piperidinyl]-; (+)-6-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-2,3-dihydro-1H-indolizin-5-one; (ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-(4-[Bis(4-fluorophenyl)methylene]-1-piperidinyl)ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one #; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-8,8a-dihydro-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one; 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one (Ritanserin); 6-(2-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidin-1-yl}-ethyl)-7-methyl-thiazolo[3,2-a]pyrimidin-5-one(Ritanserin); 6-[2-[4-[bis(4-fluorophenyl)-methylene]-1-piperidinyl]ethyl]-7-methyl-5H-thiazolo[3,2-a]-pyrimidin-5-one; E2J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	805597	.	.	.	.	477.6	C27H25F2N3OS	61.2	877	5.2	34	0	6	5	"InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3"	CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3	JUQLTPCYUFPYKE-UHFFFAOYSA-N
DG50162	2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol	5097	"186692-44-4; 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol; Roscovitin; Roscovitine, (S)-Isomer; CHEMBL52387; 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol; Seliciclib, (+/-)-; Seliciclib, (RS)-; Seliciclib (+/-)-form [MI]; (R,S)-Roscovitine; (+/-)-seliciclib; (+/-)-Roscovitine; Kinome_2869; Kinome_2871; Roscovitine - Seliciclib; (RS)-ROSCOVITINE; SCHEMBL172593; 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; BDBM7585; DTXSID90870173; EX-A498; HMS3260B12; HMS3265A03; HMS3265A04; HMS3265B03; HMS3265B04; HMS3654O10; BCP19053; Tox21_500245; MFCD02266403; NSC683246; AKOS030241656; CCG-205178; LP00245; NSC-683246; SB16650; 1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-; 2,6,9-Trisubstituted purine deriv. 27; NCGC00260930-01; NCI60_029800; DB-014986; EU-0101102; FT-0674460; FT-0711432; R 7772; 692R444; A880620; SR-01000076109; SR-01000076109-2; Q27273946; R-roscovitine;CYC202; CYC202; CYC 202;Seliciclib; 2-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol; 2-(1-D,L-Hydroxymethylpropylamino)-6-benzylamino-9-isopropylpurine; 2-[[6-(Benzylamino)-9-isopropyl-9H-purine-2-yl]amino]-1-butanol; (R)-2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine; 2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683246	.	.	.	.	354.4	C19H26N6O	87.9	417	3.2	26	3	6	8	"InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)"	CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3	BTIHMVBBUGXLCJ-UHFFFAOYSA-N
DG50163	NSC114572	5114	"ryanodine; 15662-33-6; CHEMBL308183; NSC114572; NSC-114572; Ryanodine Derivative; 10-epi-hydroxy-Ryanodine; 1H-Pyrrole-2-carboxylic acid, (3S,4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester; BDBM50051434; DB-043327; FT-0630429; J-009322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114572	.	.	.	.	493.5	C25H35NO9	173	1010	-0.5	35	7	9	4	"InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3"	CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O	JJSYXNQGLHBRRK-UHFFFAOYSA-N
DG50164	Antibiotic B 14437 (base)	5153	"Antibiotic B 14437 (base); 90813-74-4; NSC65346; Sauzivamycin; NSC-65346; SKI 27013; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide; B 90912; MLS000517268; MLS002703016; Antibiotic B-14437; SMR000127424; B-14437; Neuro_000028; Neuro_000078; CHEMBL328834; SCHEMBL12284269; BDBM32338; cid_9549170; DTXSID30920146; 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-; BCP32776; NSC134339; NSC-134339; NCGC00247059-01; NCI60_000957; NCI60_018656; SMR001566824; DB-044520; 4-Amino-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid; 4-Amino-7-.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide; 4-amino-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide;hydrate; 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate; 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65346	.	.	.	.	309.28	C12H15N5O5	170	440	-2.5	22	5	8	3	"InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N	OBZJZDHRXBKKTJ-UHFFFAOYSA-N
DG50165	4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole	5164	"SB220025; sb 220025; 165806-53-1; 3erk; SB-220025; 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine; UNII-MX95H97VRG; MX95H97VRG; CHEMBL274064; CHEBI:82713; 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE; SB4; 4-[5-(4-fluorophenyl)-3-(4-piperidyl)imidazol-4-yl]pyrimidin-2-amine; SB-220025-A; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-(2-(amino)-4-pyrimidinyl)imidazole; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4-pyrimidinyl]imidazole; Kinome_3166; 1bl7; SCHEMBL173441; GTPL6038; ZINC7258; BDBM15239; HMS3229M12; NSC756416; NSC756417; 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine; AKOS017344571; CCG-206879; DB04338; NSC-756416; NSC-756417; NCGC00165900-01; NCGC00165900-02; NCGC00165900-03; AB01092383-01; AB01092383-02; J-010231; Q27088707; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4-pyrimdinyl]imidazole; 1-(4-piperidinyl)-4-(4-fluorophenyl)-5-[2-(amino)-4pyrimidinyl]imidazole; 4-[1-(Piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine-2-amine; 2-Pyrimidinamine, 4-(4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-; 4-(4-(4-Fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-2-pyrimidinamine; 4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756416	.	.	.	.	338.4	C18H19FN6	81.6	424	1.4	25	2	6	3	"InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)"	C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F	VSPFURGQAYMVAN-UHFFFAOYSA-N
DG50166	4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole	5169	"152121-30-7; SB 202190; SB202190; SB-202190; FHPI; SB202190 (FHPI); 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole; 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole; UNII-PVX798P8GI; CHEBI:79090; 4-(4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; Phenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-; PVX798P8GI; C20H14FN3O; 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; MFCD00941964; 4-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol; 4-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; phenol, 4-(4-(4-fluorophenyl)-5-(4-pyridinyl)-1h-imidazol-2-yl)-; SMR001230795; Kinome_3708; Tocris-1264; BiomolKI_000051; 4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)1H-imidazole; Lopac-S-7067; biotinylated SB202190; BiomolKI2_000057; Lopac0_000173; BMK1-F3; BSPBio_001106; KBioGR_000446; KBioSS_000446; MLS002153419; MLS006010258; SCHEMBL158854; CHEMBL278041; GTPL4307; SCHEMBL1230814; DTXSID7041120; BDBM13531; CHEBI:92952; KBio2_000446; KBio2_003014; KBio2_005582; KBio3_000831; KBio3_000832; AOB2557; EX-A313; SYN1073; 4o77; Bio1_000479; Bio1_000968; Bio1_001457; Bio2_000393; Bio2_000873; HMS1362H07; HMS1792H07; HMS1990H07; HMS2235B15; HMS3229M22; HMS3244I13; HMS3244I14; HMS3244J13; HMS3260D07; HMS3267J19; HMS3371G22; HMS3403H07; HMS3412C22; HMS3654O15; HMS3674G07; HMS3676C22; BCP00675; Tox21_500173; BDBM50044784; NSC789969; s1077; ZINC14951176; ZINC89221712; AKOS005146403; AKOS026750414; AKOS037643394; ACN-053035; CCG-100655; CCG-204268; CS-0141; LP00173; NSC-789969; QC-9800; SDCCGSBI-0050161.P003; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one; IDI1_002148; SMP2_000191; NCGC00015962-01; NCGC00015962-02; NCGC00015962-03; NCGC00015962-04; NCGC00015962-05; NCGC00015962-06; NCGC00015962-07; NCGC00015962-08; NCGC00015962-09; NCGC00015962-10; NCGC00015962-27; NCGC00025089-01; NCGC00025089-02; NCGC00025089-03; NCGC00025089-04; NCGC00025089-05; NCGC00025089-06; NCGC00260858-01; AC-32866; AS-16228; HY-10295; EU-0100173; FT-0743934; SW218110-2; X7402; EC-000.2317; F17395; S 7067; SB 202190, >=98% (HPLC); 121S307; SR-01000075720; SR-01000597393; J-513574; J-690315; SR-01000075720-1; SR-01000597393-1; BRD-K54330070-001-05-5; BRD-K54330070-001-07-1; InSolution SB 202190 - CAS 152121-30-7; Q27088696; Q27164687; SB 202190 - CAS 152121-30-7; 4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]phenol; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol; 4-[4-(4-Fluorphenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]phenol; FHPI; ; ; 4-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol; 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-4-imidazolin-2-ylidene]cyclohexa-2,5-dien-1-one; 2RE; 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789969	.	.	.	.	331.3	C20H14FN3O	61.8	415	3.7	25	2	4	3	"InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)"	C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O	QHKYPYXTTXKZST-UHFFFAOYSA-N
DG50167	Semustine	5198	"semustine; 13909-09-6; Methyl-CCNU; MeCCNU; METHYL CCNU; trans-Methyl-CCNU; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; Lomustine, methyl-; Semustina; Semustinum; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-; ICIG 1110; NSC 95441; N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea; UNII-EGU4CMI14D; NCI-C04955; Lomustine, methyl; UNII-2281H4FBL9; NSC95441; EGU4CMI14D; CHEBI:6863; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-; 1-(2-Chloroethyl)-3-(trans-4-methylcyclohexane)-1-nitrosourea; 2281H4FBL9; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, trans-; UNII-6YY7T1T567; NSC-758471; 33185-87-4; 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea; NCGC00095051-01; N-(2-Chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, trans-; 1-(2-Choroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; trans-Semustine; cis-Semustine; Urea, 3-(beta-chloroethyl)-1-(4-methylcyclohexyl)-3-nitroso-; methyl lomustine; Semustine [USAN:INN]; Semustinum [INN-Latin]; Semustina [INN-Spanish]; 1-(2-Chloroethyl)-1-([(4-methylcyclohexyl)amino]carbonyl)-2-oxohydrazine; cis-Methyl CCNU; SMR000058889; trans-Methyl CCNU; 6YY7T1T567; MeCCNU (trans); CCRIS 6336; Me-CCNU; 1-[2-Chloroethyl]-3-[4-methylcyclohexyl]-1-nitrosourea; NSC 135091; 1-(2-Chloroethyl)-1-(((4-methylcyclohexyl)amino)carbonyl)-2-oxohydrazine; HSDB 7760; NSC-95441; Prestwick_1013; Methyl-CCNU [Chloroethyl nitrosoureas]; Spectrum_001335; cis-1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; AI3-52897; Semustine (USAN/INN); Spectrum2_000911; Spectrum3_000966; Spectrum4_001084; Spectrum5_001087; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, cis-; SCHEMBL4500; DSSTox_CID_11603; DSSTox_RID_78887; DSSTox_GSID_31603; BSPBio_002571; KBioGR_001468; KBioSS_001815; 33073-59-5; MLS000069831; MLS001074931; CHEMBL12948; DivK1c_000020; SPECTRUM1503422; SPBio_000782; SCHEMBL4959160; CHEMBL1967746; CHEMBL2051944; DTXSID8031603; HMS500A22; ICIG-1110; KBio1_000020; KBio2_001815; KBio2_004383; KBio2_006951; KBio3_001791; NINDS_000020; HMS1922C16; HMS2093E21; Pharmakon1600-01503422; 1-trans-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea; ZINC3874951; Tox21_111404; CCG-39897; NSC135091; NSC758471; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, (Z)-; Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-, cis- (9CI); NSC-135091; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea [Chloroethyl nitrosoureas]; IDI1_000020; QTL1_000073; NCGC00095051-02; NCGC00095051-03; NCGC00095051-04; HY-13747; NCI60_042122; SBI-0051825.P002; CAS-13909-09-6; CS-0007775; C07640; D05822; AB01563283_01; 909S096; SR-01000763446; J-007221; Q1230937; SR-01000763446-2; Q27253629; Q27277177; 1-(2-Chloroethyl)-3-(4-methyl-cyclohexyl)-1-nitrosourea; UNII-6YY7T1T567 component FVLVBPDQNARYJU-DTORHVGOSA-N; UNII-6YY7T1T567 component FVLVBPDQNARYJU-KYZUINATSA-N; cis-N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-urea; trans-N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-urea; 1-(2-Chloroethyl)-3-(4alpha-methylcyclohexan-1alpha-yl)-1-nitrosourea; 1-(2-Chloroethyl)-3-(4beta-methylcyclohexan-1alpha-yl)-1-nitrosourea; Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, cis- (8CI); Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-, trans- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95441	.	.	.	.	247.72	C10H18ClN3O2	61.8	242	3.3	16	1	3	3	"InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)"	CC1CCC(CC1)NC(=O)N(CCCl)N=O	FVLVBPDQNARYJU-UHFFFAOYSA-N
DG50168	Sennosides	5199	"Sennosides; Sennaglucosides; sennoside; 517-43-1; Sennoside A&B; Senna-lax; Sennoside [JAN]; 9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; Sennosides A and B; SENNA; EINECS 208-238-9; SennosideA; Senna glycosides; NSC112929; NSC112930; (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid; 5,5'-bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid; Sennoside A1 , HPLC Grade; CHEMBL54481; SENNOSIDES, USP STANDARD; SCHEMBL19235654; HMS3373D11; BCP14626; BCP14631; HY-N0365; MFCD32068370; STL453210; AKOS015895190; DB11365; MCULE-4391474837; NSC-112929; NSC-112930; 5,5'-Bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy(9,9'-bianthrachinon)-2,2'-dicarbonsaeure; (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-; 5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylic acid; DB-041901; DB-056508; CS-0008914; 62211-03-4; [9,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VA; [9,9'-Bianthracene]-2,2'-dicarboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112929	.	.	.	.	862.7	C42H38O20	348	1550	1.2	62	12	20	9	"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)"	C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O	IPQVTOJGNYVQEO-UHFFFAOYSA-N
DG50169	NSC344025	5201	"Sergiolide; 82290-17-3; NSC344025; CHEMBL1975433; DTXSID201002592; NSC-344025; 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b] pyran-3(3aH)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8, 12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-; Methyl 4-(acetyloxy)-1,2-dihydroxy-8,12a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,8,10,12a,12b-decahydro-2H-3,12c-(epoxymethano)furo[2',3':6,7]phenanthro[10,1-bc]pyran-3(3aH)-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344025	.	.	.	.	504.5	C25H28O11	155	1160	0.5	36	2	11	4	"InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3"	CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC	ZZKFDOQILIXHHH-UHFFFAOYSA-N
DG50170	C.I. Natural Red 20	5208	"SHIKALKIN; 54952-43-1; (+-)-Shikonin; Alkanet extract; C.I. Natural Red 20; Shikonine; ARNEBIN-4; (Rac)-Shikonin; 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione; Anchusin; Anchusa acid; (+/-)-Alkannin; Alkanna Red; C.I. 75530; C.I. 75535;Isoarnebin 4; NSC94524; NSC252844; NSC407295; 23444-65-7; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9CI); Alkanet extract, inspissated; (+)-Shikonin; 5,8-Dihydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione; Alkanet extract (VAN); (+-)-Alkannin; (+/-)-Shikonin; C.I. Natural Red 20 (VAN); Gromwell; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-; 1, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-; natural red 20; Shikonin (7b); (+-)-Shikalkin; NSC 291845; ALKANNIN, 1-; KBioGR_000610; KBioSS_000610; CHEMBL29285; SCHEMBL3182028; Shikonin, >=98% (HPLC); SCHEMBL14305203; KBio2_000610; KBio2_003178; KBio2_005746; KBio3_001079; KBio3_001080; NEZONWMXZKDMKF-UHFFFAOYSA-; 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; CHEBI:174748; BDBM178090; Bio2_000475; Bio2_000955; HMS1362P11; BCP29329; BCP34282; HY-N6004; MFCD00016668; NSC-94524; NSC291845; 5,8-dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)naphthalene-1,4-dione; AKOS016034343; ( inverted exclamation markA)-Shikonin; MCULE-4829436851; NSC-252844; NSC-291845; NSC-407295; IDI1_002230; QTL1_000075; SMP2_000188; LS-14485; NCI60_002031; DB-082640; CS-0032051; FT-0651798; FT-0746742; FT-0774471; (-)-Shikonin;C.I. 75535; Isoarnebin 4; 3-(2,2-Dimethylpropionylamino)isonicotinicacid; 952S431; Q-100621; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-; 1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-; 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; (+/-)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; 11019-15-1; 85921-41-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252844	.	.	.	.	288.29	C16H16O5	94.8	501	3	21	3	5	3	"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3"	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C	NEZONWMXZKDMKF-UHFFFAOYSA-N
DG50171	Solasodine	5250	"solasodine; Spirosol-5-en-3-ol; Salasdine; Salasodine; Solanidine-S; 126-17-0; Purapuridine; Solancarpidine; Tomatidenol; Solasodin; Solasod-5-en-3.beta.-ol; SOLASODINE HYDROCHLORIDE BASE; NSC179187; NSC 178260; Spirosol-5-en-3-ol,22.alpha.,25R)-; Solasod-5-en-3 beta-ol; Solancarpine; Sosasodine; Solanidine S; NSC178260; NSC-179187; (-)-Solasodine; Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)-; Solasod-5-en-3beta -ol; Oprea1_090106; CHEMBL1964743; SCHEMBL12838252; ACon1_001598; Solasod-5-en-3alpha ,25R)-; SPIROSOL-5-EN-3-BETA-OL; BCP10954; AKOS003275084; MCULE-5834076976; NSC-178260; NCGC00017170-02; DB-041812; (3; A,22; A,25R)-Spirosol-5-en-3-ol; Purapuridine; Solancarpidine; Solasodin; Salasdine; Spirosol-5-en-3-ol, (3beta ,22alpha ,25R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178260	.	.	.	.	413.6	C27H43NO2	41.5	749	5.4	30	2	3	0	"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3"	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1	KWVISVAMQJWJSZ-UHFFFAOYSA-N
DG50172	Spiperone	5265	"spiperone; Spiropitan; Spiroperidol; 749-02-0; Espiperona; Spiperonum; [3H]spiperone; [3H]-spiperone; R 5147; 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; E 525; UNII-4X6E73CJ0Q; NSC 170983; MLS000028615; Spiroperidol;R-5147; 8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one; 8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane; SMR000058674; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-; 4X6E73CJ0Q; CHEBI:9233; CHEMBL267930; Butyrophenone, 4'-fluoro-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decan-8-yl)-; NSC170983; NSC-170983; NCGC00015964-09; CAS-749-02-0; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-1-phenyl-; 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; R-5147; 8-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; DSSTox_CID_25205; DSSTox_RID_80749; DSSTox_GSID_45205; Spiroperidone; Spiperonum [INN-Latin]; Espiperona [INN-Spanish]; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-; 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-; Spiperone [USAN:INN:BAN:JAN]; EINECS 212-024-0; BRN 0632204; SR-01000000261; Spiperone, solid; Spiropitan (TN); Prestwick_624; [3H]-Spiroperidol; Spectrum_001143; Tocris-0995; Spiperone (JAN/USAN); regid855701; Opera_ID_1551; Prestwick0_000288; Prestwick1_000288; Prestwick2_000288; Prestwick3_000288; Spectrum2_001426; Spectrum3_001460; Spectrum4_000451; Spectrum5_000987; Lopac-S-7395; GTPL99; 4-Phenyl-8-[3-(4-fluorobenzoyl)propyl]-1-oxo-2,4,8-triazaspiro[4,5]decane; cid_5265; Lopac0_001069; REGID_for_CID_5265; BSPBio_000196; BSPBio_002959; KBioGR_000862; KBioSS_001623; MLS001076321; DivK1c_000566; SCHEMBL116031; SPECTRUM1501152; SPBio_001532; SPBio_002415; BPBio1_000216; GTPL3300; DTXSID5045205; BDBM21397; HMS501M08; KBio1_000566; KBio2_001623; KBio2_004191; KBio2_006759; KBio3_002459; TQP0726; NINDS_000566; HMS1568J18; HMS1921L09; HMS2089E16; HMS2092H17; HMS2095J18; HMS2235E11; HMS3371L01; HMS3712J18; Pharmakon1600-01501152; ZINC643233; Tox21_110269; CCG-38975; MFCD00055099; NSC757864; AKOS024282958; Tox21_110269_1; MCULE-7534168791; NSC-757864; SDCCGSBI-0051039.P004; IDI1_000566; NCGC00015964-01; NCGC00015964-02; NCGC00015964-03; NCGC00015964-04; NCGC00015964-05; NCGC00015964-06; NCGC00015964-07; NCGC00015964-08; NCGC00015964-10; NCGC00015964-11; NCGC00015964-12; NCGC00015964-13; NCGC00015964-17; NCGC00015964-25; NCGC00016536-01; NCGC00022260-02; NCGC00022260-04; NCGC00022260-05; NCGC00022260-06; NCGC00022260-07; SBI-0051039.P003; AB00052224; FT-0674639; D01051; AB00052224-15; AB00052224_16; L000569; Q3077150; SR-01000000261-5; SR-01000000261-8; BRD-K55468218-001-05-5; BRD-K55468218-003-01-0; WLN: T6N DXTJ A3VR DF& D-& CT5MVXN EHJ DR; 8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,8-triazaspiro[4.5]decan-4-one; 1,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorobenzoyl)propyl]-1-phenyl-; 1,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-; 8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; 1-(4-Fluorophenyl)-4-(4-hydroxy-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-8-yl)-1-butanone #; SIP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170983	.	.	.	.	395.5	C23H26FN3O2	52.6	577	3	29	1	5	6	"InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F	DKGZKTPJOSAWFA-UHFFFAOYSA-N
DG50173	Streptonigrin	5298	"streptonigrin; Bruneomycin; Rufocromomycin; Nigrin; Streptonigran; 3930-19-6; Valacidin; Rufocromomycine; NSC-45383; Rufocromomicina; Rufocromomycinum; Abbott Crystalline antibiotic; NSC 45383; NSC45383; Streptonigrin [USAN]; Antibiotic from Streptomyces flocculus; Rufochromomycin; A 050165L302; Streptonigrin (racemate); AO50165L302; NSC83950; CHEBI:9287; MLS000028827; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; UNII-261Q3JB310; 5278 R. P.; NSC-83950; 5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid; SMR000058748; MLS000766205; MLS000766219; Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; 3930-19-6 (R-isomer); 1079893-79-0 (racemate); NSC-56748; 261Q3JB310; Rufocromomycin (INN); Rufocromomycin [INN]; Streptonigrin (USAN); 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; SN (VAN); 1079893-79-0; Rufocromomycine [INN-French]; Rufocromomycinum [INN-Latin]; Rufocromomicina [INN-Spanish]; CCRIS 1264; SR-01000721857; EINECS 223-501-8; NSC 83950; BRN 0599390; AI3-52152; WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ; (R)-Streptonigrin; 2-Pyridinecarboxylic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; 5-Amino-6-(7-amino-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid; 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; Picolinic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; Picolinic acid,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-; Nigrin (TN); Streptonigrin from Streptomyces flocculus; Opera_ID_823; 5278 R.P.; NCIMech_000191; SCHEMBL3940; 5-25-17-00308 (Beilstein Handbook Reference); MLS004556149; CHEMBL11417; GTPL8683; SCHEMBL1650605; SCHEMBL17111078; BDBM34650; cid_5323583; DTXSID00960034; HMS2230J24; NSC56748; BDBM50447758; CCG-35398; CCG-36481; MFCD00063401; ZINC100016202; SMP2_000320; NCGC00247058-01; (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; NCI60_004051; NCI60_041843; SMR003365494; HY-124586; CS-0087029; C02081; D05931; Streptonigrin from Streptomyces flocculus, >=98%; SR-01000721857-3; SR-01000721857-5; Q15427845; (4E)-5-amino-6-(7-amino-5,8-diketo-6-methoxy-2-quinolyl)-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-Amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (4E)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid; (aR)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid; (aS)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, (4R)-; 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid #; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83950	.	.	.	.	506.5	C25H22N4O8	197	944	1.8	37	4	12	6	"InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)"	CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O	PVYJZLYGTZKPJE-UHFFFAOYSA-N
DG50174	Streptozoticin	5299	NSC37917; Streptozoticin; NSC85998; U 9889; U-9889; 2-Deoxy-2-(3-methyl-3-nitrosoureido)-.alpha.(and.beta.)-D-glucopyranose; AKOS024370866; MCULE-9818583717; STREPTOZOTOCIN (ZELALAN MIXTURE); NCI60_041900	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85998	.	.	.	.	265.22	C8H15N3O7	160	300	-3.2	18	5	8	6	"InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)"	CN(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O	AGRCPNMCOXLKFO-UHFFFAOYSA-N
DG50175	"4,6-Dioxoheptanoic acid"	5312	"4,6-DIOXOHEPTANOIC ACID; Succinylacetone; 51568-18-4; Heptanoic acid, 4,6-dioxo-; succinyl acetone; NSC 174804; UNII-KZ0KV2Q190; CHEMBL222824; KZ0KV2Q190; CHEBI:87897; MFCD00002797; 4.6-dioxoheptanoic acid; 4,6-Dioxoheptanoate; CCRIS 1387; Spectrum_001999; SpecPlus_000704; Heptanoic acid,6-dioxo-; Spectrum2_000467; Spectrum3_000763; Spectrum4_001249; Spectrum4_001266; BSPBio_002406; KBioGR_001778; KBioGR_001852; KBioSS_002574; YSWG260; DivK1c_006800; SCHEMBL503918; SPBio_000574; KBio1_001744; KBio2_002565; KBio2_005133; KBio2_007701; KBio3_001626; 4,6-Dioxoheptanoic acid, powder; DTXSID50199519; AMY13893; BCA56818; BCP17098; 7197AB; BDBM50197063; CCG-39960; NSC174804; AKOS006282601; ZINC100036983; CS-W010900; HY-W010184; NSC-174804; 2-Benzyl-1,3-thiazole-4-carboxylicacid; NCGC00178670-01; AS-57899; DA-05297; NCI60_001428; FT-0674727; FT-0674728; H10298; 568D184; Q25324500"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174804	.	.	.	.	158.15	C7H10O4	71.4	183	-0.8	11	1	4	5	"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)"	CC(=O)CC(=O)CCC(=O)O	WYEPBHZLDUPIOD-UHFFFAOYSA-N
DG50176	Sulfaquinoxaline	5338	"sulfaquinoxaline; 59-40-5; Sulfabenzpyrazine; Sulphaquinoxaline; Avicocid; Sulfaline; Sulquin; Italquina; Kokozigal; Ursokoxaline; Sulfacox; 2-Sulfanilamidoquinoxaline; 2-Sulfanilamidobenzopyrazine; Sulfa-Q 20; Sulfaquinoxalin; 4-Amino-N-(quinoxalin-2-yl)benzenesulfonamide; Sulfaquinoxalina; 2-(p-Sulfanilamido)quinoxaline; Sulfaquinoxalinum; Compound 3-120; Anti-K; Benzenesulfonamide, 4-amino-N-2-quinoxalinyl-; Sulfachinoxalin; N-(2-Quinoxalinyl)sulfanilamide; N1-(2-Quinoxalinyl)sulfanilamide; N'-2-Quinoxalylsulfanilamide; 2-p-Aminobenzenesulfonamidoquinoxaline; SQ 40; N-(2-Quinoxalinyl)sulfanilide; 2-p-Aminobenzenesulphonamidoquinoxaline; 4-amino-N-quinoxalin-2-ylbenzenesulfonamide; NSC41805; UNII-WNW8115TM9; N(sup 1)-(2-Quinoxalinyl)sulfanilamide; SQX; AI3-17254; 4-amino-N-(2-quinoxalinyl)benzenesulfonamide; NSC-41805; N(sup 1)-2-Quinoxalinylsulfanilamide; Sulquin 6-50 Concentrate (Veterinary); Sulfaquinoxaline (USP/INN); MLS000737045; 4-AMINO-N-(QUINOXALIN-2-YL)BENZENE-1-SULFONAMIDE; WNW8115TM9; N'-(2-Quinoxalyl)sulfanilamide; N1-2-Quinoxalinyl, sulfanilamide; N(sup1)-Quinoxalin-2-ylsulfanilamide; N(sup1)-(2-Quinoxalinyl)sulfanilamide; 2-(p-Aminobenzene)sulfonamidoquinoxaline; Sulfanilamide, N1-2-quinoxalinyl- (8CI); DSSTox_CID_22424; DSSTox_RID_80021; DSSTox_GSID_42424; 4-amino-N-quinoxalin-2-yl-benzenesulfonamide; Caswell No. 721; Aviochina; Sulfaquinoxaline (4-amino- N-2-quinoxalinylbenzenesulfonamide); Sulfaquinoxaline, analytical standard; 4-Amino-N-2-quinoxalinylbenzenesulfonamide; Sul-q-nox; CAS-59-40-5; NSC 41805; SMR000394001; Sulfaquinoxalinum [INN-Latin]; Sulfaquinoxalina [INN-Spanish]; HSDB 7440; Sulfaquinoxaline [USAN:INN:BAN]; EINECS 200-423-2; EPA Pesticide Chemical Code 077901; BRN 0290026; Embazin; Nococcin; Quinoxipra C; Kokozigal S; Sulfa-Q; Sulfaquinoxaline [USP:INN:BAN]; Sulfanilamide, N1-2-quinoxalinyl-; Spectrum_001410; Sulfaquinoxaline-13C6; Sulfanilamide, N(sup 1)-2-quinoxalinyl-; 4-Amino-n-2-quinoxalinyl-benzenesulfonamide; Prestwick0_000731; Prestwick1_000731; Prestwick2_000731; Prestwick3_000731; Spectrum2_000986; Spectrum3_001455; Spectrum4_000423; Spectrum5_000983; S. Q. 40 Per cent; NCIStruc1_000587; NCIStruc2_000454; Oprea1_705564; SCHEMBL93789; Sulfaquinoxaline, BAN, INN; BSPBio_000682; BSPBio_002949; KBioGR_000746; KBioSS_001890; 5-25-11-00125 (Beilstein Handbook Reference); MLS001176103; S. Q. '40 per cent'; S. Q. '40 per cent'; BIDD:GT0642; DivK1c_000035; SPBio_001051; SPBio_002621; BPBio1_000752; ZINC2106; CHEMBL1437847; DTXSID8042424; N1-2-quinoxalinyl-Sulfanilamide; SCHEMBL21295162; CHEBI:94719; KBio1_000035; KBio2_001890; KBio2_004458; KBio2_007026; KBio3_002449; NINDS_000035; HMS2744N03; ALBB-033368; HY-B1282; NCI41805; STR08438; WLN: T66 BN ENJ CMSWR DZ; Tox21_110027; Tox21_300894; CCG-38184; MFCD00055406; NCGC00013489; N(Sup1)-2-quinoxalinyl-Sulfanilamide; AKOS001053134; AKOS024418782; Tox21_110027_1; DB11464; MCULE-3339443865; N(Sup 1)-2-quinoxalinyl-Sulfanilamide; IDI1_000035; SMP2_000015; NCGC00013489-01; NCGC00013489-02; NCGC00013489-03; NCGC00096603-01; NCGC00178376-05; NCGC00254798-01; Sulfanilamide, N(sup1)-2-quinoxalinyl-; AC-18848; H465; NCI60_003947; DB-053379; CS-0013058; FT-0631264; EN300-24981; D05952; H11037; 4-Amino-N-2-quinoxalinylbenzenesulfonamide, 9CI; 055S406; A928697; SR-01000768431; Q1019320; SR-01000768431-3; Sulfaquinoxaline, PESTANAL(R), analytical standard; W-105325; BRD-K71133585-236-05-2; BRD-K71133585-236-08-6; Z56922081; Sulfaquinoxaline, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41805	.	.	.	.	300.34	C14H12N4O2S	106	442	1.7	21	2	6	3	"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)"	C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N	NHZLNPMOSADWGC-UHFFFAOYSA-N
DG50177	Suloctidil	5354	"suloctidil; 54063-56-8; Sulodene; Bemperil; Cerebro; Circleton; Euvasal; Hemoantin; Octamet; Polivasal; Suloctdil; Sulocton; Sudil; 1-(4-Isopropylthiophenyl)-2-n-octylaminopropanol; CP-556S; NCGC00018301-02; DSSTox_CID_25638; DSSTox_RID_81019; DSSTox_GSID_45638; Suloctidil [USAN:INN:BAN]; 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol; fluversin; loctidon; 4-((1-Methylethyl)thio)-alpha-(1-(octylamino)ethyl)benzenemethanol; MJF 12637; CAS-54767-75-8; Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)-, (R*,S*)-; sulcotidil; Duloctil; Fluvisco; Iangene; Dulasi; Locton; 4-[(1-Methylethyl)thio]-alpha-[1-(octylamino)ethyl]benzenemethanol; erythro-p-(Isopropylthio)-alpha-(1-(octylamino)ethyl)benzyl alcohol; Prestwick_915; EINECS 258-957-7; Spectrum_001145; Prestwick0_000421; Prestwick1_000421; Prestwick2_000421; Spectrum2_001427; Spectrum3_000927; Spectrum4_001026; Spectrum5_001153; SCHEMBL23974; KBioGR_001551; KBioSS_001625; DivK1c_000364; SPECTRUM1501153; SPBio_001534; SPBio_002341; CHEMBL404849; CHEBI:91639; HMS501C06; KBio1_000364; KBio2_001625; KBio2_004193; KBio2_006761; KBio3_001934; NINDS_000364; DTXSID701017974; HMS1569E04; HMS1921L11; HMS2092H19; Pharmakon1600-01501153; BCP24317; Tox21_110858; CCG-38964; MJF-12637; NSC757852; Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-(octylamino)ethyl)-; Benzenemethanol, 4-[(1-methylethyl)thio]-.alpha.-[1-(octylamino)ethyl]-; Tox21_110858_1; MCULE-7875232844; NSC 757852; NSC-757852; IDI1_000364; NCGC00018301-03; NCGC00018301-05; NCGC00094914-01; NCGC00094914-02; SBI-0051663.P002; AB00052225_03; SR-05000001775; Q7636084; SR-05000001775-1; BRD-A34205397-001-01-1; BRD-A34205397-001-03-7; 1-(4-isopropylsulfanylphenyl)-2-(octylamino)propan-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757852	.	.	.	.	337.6	C20H35NOS	57.6	277	5.8	23	2	3	12	"InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3"	CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O	BFCDFTHTSVTWOG-UHFFFAOYSA-N
DG50178	Triaconazole	5404	"Triaconazole; MLS002701820; CHEBI:82979; Terconazole Impurity A; 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine; NSC331942; NSC-331942; SCHEMBL5008913; CHEMBL1714574; SCHEMBL18258318; Piperazine, 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-, rel-; SMR001565413; Q27156516; (+-)-1-{4-[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}-4-isopropylpiperazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331942	.	.	.	.	532.5	C26H31Cl2N5O3	64.9	693	4.8	36	0	7	8	"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3"	CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl	BLSQLHNBWJLIBQ-UHFFFAOYSA-N
DG50179	Thiabendazole	5430	"thiabendazole; 148-79-8; Tiabendazole; Mintezol; 2-(4-Thiazolyl)benzimidazole; Equizole; Omnizole; Thiabendazol; Thiabenzole; Tiabendazol; Mintesol; Minzolum; Thibenzole; Bovizole; Lombristop; Thibenzol; Nemapan; Thiaben; Testo; Bioguard; Eprofil; Mertect; Mycozol; Polival; Tebuzate; Tiabenda; Triasox; Mertec; Tobaz; Tbdz; Thibenzole att; APL-luster; Top Form Wormer; Cropasal; Pitrizet; Sistesan; Thibendole; Ormogal; Storite; Thibenzole 200; Tecto rph; 1H-Benzimidazole, 2-(4-thiazolyl)-; Hokustar HP; 2-(1,3-Thiazol-4-yl)-1H-benzimidazole; 4-(1H-Benzo[d]imidazol-2-yl)thiazole; Mertect 160; Tecto 10P; Tecto 40F; Tecto 60; Sanaizol 100; 2-(4-Thiazolyl)-1H-benzimidazole; Chemviron TK 100; Thiabendazolum; Thiabendole; Tiabendazolum; Biogard; Drawipas; Mintezole; Tecto; Mertect lsp; E-Z-Ex; Equizole A; TBZ 60W; 4-(2-Benzimidazolyl)thiazole; Captan T; Metasol TK 100; Helmindrax octelmin; Thiabenzazole; Arbotect; Thiprazole; Tresaderm; Tubazole; 2-Thiazole-4-ylbenzimidazole; Hymush; Nemacin; Mertect 340f; 2-(Thiazol-4-yl)benzimidazole; Metasol TK-100; Syntol M100; MK 360; Equivet TZ; Tecto B; Benzimidazole, 2-(4-thiazolyl)-; Tibimix 20; 2-(1,3-Thiazol-4-yl)benzimidazole; Thiabendazole [BSI:ISO]; TBZ 6; 2-(4'-Thiazolyl)benzimidazole; Mintezol (TN); 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole; Thiabendazole (USP); MK-360; Tiabendazole (JAN/INN); 4-(1H-benzimidazol-2-yl)-1,3-thiazole; 4-(1H-benzimidazol-2-yl)thiazole; 1yvm; G 491; UNII-N1Q45E87DT; 5-(4-Thiazolyl)benzimidazole; 2-(4-Thiazoly)-benzimidazole; RPH; CHEMBL625; MLS000053094; N1Q45E87DT; CHEBI:45979; NSC90507; MFCD00005587; NSC-90507; NSC525040; 2-(4-THIAZOLYL)-BENZIMIDAZOLE; NSC-525040; NCGC00016410-06; NCGC00016410-13; CAS-148-79-8; E233; SMR000058170; 2-(1,3-thiazol-4-yl)-1H-benzoimidazole; RTU Flowable Fungicide; DSSTox_CID_1337; 4-(1H-1,3-benzodiazol-2-yl)-1,3-thiazole; DSSTox_RID_76091; DSSTox_GSID_21337; Metasol tk 10; Tiabendazolum [INN-Latin]; Thiabendazole [USAN:BAN]; TBZ-6; 2-[4-Thiazoly]benzimidazole; Caswell No. 849A; Tiabendazol [INN-Spanish, French]; WLN: T56 BM DNJ C-ET5N CSJ; Metasol TK 25; CCRIS 4510; HSDB 2027; 2-Thiazol-4-yl-1H-benzoimidazole; SR-01000000188; EINECS 205-725-8; NSC 90507; EPA Pesticide Chemical Code 060101; NSC 525040; Thiabendazole [USAN:USP]; BRN 0611403; AI3-50598; Tiabendazole, INN; 2-(4-thiazolyl)-1h-benzoimidazole; Thiabendazole(usan); Prestwick_813; Tiabendazole [INN]; Thiabendazole, 98%; Spectrum_000039; CPD000058170; Opera_ID_336; Prestwick0_000524; Prestwick1_000524; Prestwick2_000524; Prestwick3_000524; Spectrum2_001331; Spectrum3_001407; Spectrum4_000354; Spectrum5_001009; NCIOpen2_005709; SCHEMBL19842; BSPBio_000507; BSPBio_003054; KBioGR_000787; KBioSS_000399; 2(4-thiazolyl)-benzimidazole; MLS000069718; BIDD:ER0372; DivK1c_000072; SPECTRUM1500570; SPBio_001481; SPBio_002428; BPBio1_000559; GTPL7304; 2-(thiazole-4-yl)benzimidazole; DTXSID0021337; Thiabendazole, >=99%, powder; HMS500D14; KBio1_000072; KBio2_000399; KBio2_002967; KBio2_005535; KBio3_002274; ZINC73711; NINDS_000072; HMS1569J09; HMS1921E05; HMS2092M07; HMS2096J09; HMS2230F20; HMS3259E20; HMS3372E11; HMS3655E08; HMS3713J09; Pharmakon1600-01500570; ALBB-023635; AMY22461; BCP19179; HY-B0263; Tox21_110427; Tox21_202397; Tox21_300970; BDBM50121347; CCG-39633; NSC757347; s1739; STK394289; AKOS000120940; Tox21_110427_1; DB00730; MCULE-3720823189; NC00593; NSC-757347; SDCCGMLS-0002984.P003; IDI1_000072; NCGC00016410-01; NCGC00016410-02; NCGC00016410-03; NCGC00016410-04; NCGC00016410-05; NCGC00016410-07; NCGC00016410-08; NCGC00016410-09; NCGC00016410-10; NCGC00016410-11; NCGC00016410-12; NCGC00016410-14; NCGC00016410-15; NCGC00016410-18; NCGC00016410-21; NCGC00021671-04; NCGC00021671-05; NCGC00021671-06; NCGC00021671-07; NCGC00021671-08; NCGC00021671-09; NCGC00021671-10; NCGC00254873-01; NCGC00259946-01; Thiabendazole 100 microg/mL in Methanol; 2-[35S]thiazol-4-yl-1H-benzoimidazole; AC-10139; LS-07459; NCI60_004280; NCI60_042006; MLS-0002984.P004; SBI-0051531.P003; 2-(1,3-thiazole-4-yl)-1H-benzimidazole; DB-042952; Thiabendazole 10 microg/mL in Acetonitrile; AB00052107; FT-0608694; SW196947-3; T0830; 2-(1,3-Thiazol-4-yl)-1H-benzimidazole #; Thiabendazole, BAN, BSI, ISO, JMAF, USAN; 48T798; C07131; D00372; E70385; AB00052107_17; AB00052107_18; Thiabendazole, PESTANAL(R), analytical standard; A808809; Q424986; SR-01000000188-2; SR-01000000188-4; SR-01000000188-5; W-108097; BRD-K77695569-001-05-2; BRD-K77695569-001-16-9; BRD-K77695569-001-28-4; Thiabendazole, certified reference material, TraceCERT(R); Thiabendazole, BioReagent, plant cell culture tested, powder; Tiabendazole, European Pharmacopoeia (EP) Reference Standard; Thiabendazole, United States Pharmacopeia (USP) Reference Standard; Thiabendazole, Pharmaceutical Secondary Standard; Certified Reference Material; 93030-56-9; 98002-42-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	525040	.	.	.	.	201.25	C10H7N3S	69.8	212	2.5	14	1	3	1	"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)"	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3	WJCNZQLZVWNLKY-UHFFFAOYSA-N
DG50180	Thiotepa	5453	"thiotepa; THIO-TEPA; 52-24-4; Triethylenethiophosphoramide; Thiophosphamide; Thioplex; Tiofosfamid; Tiofosyl; Thiofozil; Tespamin; Girostan; Oncotepa; Tespamine; Tiofozil; Stepa; Oncotiotepa; Thiotef; Tifosyl; Tri(aziridin-1-yl)phosphine sulfide; Oncothio-tepa; TESPA; Tio-tef; Thio-Tep; TSPA; Thio-tepa S; Ledertepa; Thiotriethylenephosphoramide; TIO TEF; Tris(1-aziridinyl)phosphine sulfide; 1,1',1''-phosphorothioyltriaziridine; N,N',N''-Triethylenethiophosphoramide; Triethylene thiophosphoramide; Triaziridinylphosphine sulfide; NSC-6396; Triethylenethiophosphorotriamide; Tris(ethylenimino)thiophosphate; CBC 806495; Phosphorothioic acid triethylenetriamide; Phosphine sulfide, tris(1-aziridinyl)-; Tri(ethyleneimino)thiophosphoramide; Aziridine, 1,1',1''-phosphinothioylidynetris-; NCI-C01649; NSC 6396; SK 6882; Tris(aziridinyl)phosphine sulfide; Tri-1-aziridinylphosphine sulfide; Tris(1-aziridinyl)phosphine sulphide; N,N',N''-Triethylenethiophosphamide; UNII-905Z5W3GKH; N,N',N''-Triethylenethiophosphortriamide; NSC6396; 1,1',1''-Phosphinothioylidynetrisaziridine; N,N',N''-Triethylenephosphorothioic triamide; N,N',N''-Tri-1,2-ethanediylthiophosphoramide; Thiophosphoramide, N,N',N''-tri-1,2-ethanediyl-; N,N',N''-Tri-1,2-ethanediylphosphorothioic triamide; MLS001333083; MLS003389372; 905Z5W3GKH; CHEBI:9570; Phosphorothioic triamide, N,N',N''-tri-1,2-ethanediyl-; AI 3-24916; Phosphorothioic triamide, N,N',N''-triethylene-; MFCD00145452; tepadina; NCGC00095042-04; NCGC00095042-06; Thiophosphamidum; DSSTox_CID_1339; DSSTox_RID_76093; DSSTox_GSID_21339; AZIRIDINE,1,1',1''-PHOSPHINOTHIOYLIDYNETRIS-; C6H12N3PS; Thiotepum; Tiotepa; Thiotepum [INN-Latin]; Tiotepa [INN-Spanish]; CAS-52-24-4; Phosphoric tri(ethyleneamide); SMR000058542; CCRIS 586; HSDB 3258; AI3-24916; SR-05000001855; EINECS 200-135-7; BRN 0145978; WR-45312; Thiotepa [USP:INN:BAN:JAN]; Tepadina (TN); Thioplex (TN); Rethio (TN); Thiotepa (Thioplex); Spectrum_001689; WR 45312; Thiophosphoramide, N,N',N''-triethylene-; Spectrum2_001557; Spectrum3_001594; Spectrum4_000208; Spectrum5_001641; tris(aziridin-1-yl)-thioxo-$l^{5}-phosphane; CHEMBL671; Thioplex (TN) (Immunex); Tris(aziridinyl)-phosphine sulfide (thio-tepa); SCHEMBL4760; Thiotepa (JAN/USP/INN); Thio-TEPA, 98%, solid; BSPBio_003188; KBioGR_000815; KBioSS_002169; 4-20-00-00052 (Beilstein Handbook Reference); MLS001333084; MLS002207150; MLS006009972; BIDD:GT0127; DivK1c_000817; SPECTRUM1503324; SPBio_001434; tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane; GTPL7622; DTXSID0021339; HMS502I19; KBio1_000817; KBio2_002169; KBio2_004737; KBio2_007305; KBio3_002688; N,N''-Triethylenethiophosphamide; AOB5373; NINDS_000817; HMS1922A14; HMS2093E05; HMS2232P17; HMS3372D10; N,N''-Triethylenethiophosphoramide; Pharmakon1600-01503324; Tri(1-aziridinyl)phosphine sulfide; ALBB-034802; AMY33389; BCP04110; ZINC1530867; Tox21_111399; Tox21_400065; BDBM50418086; CCG-39776; NSC758455; s1775; AKOS005267118; CS-3119; DB04572; GC10080; MCULE-5478761622; NSC-758455; 1,1''-Phosphinothioylidynetrisaziridine; IDI1_000817; Thiophosphoramide,N',N'' -triethylene-; N,N',N'''-Triethylenethiophosphhoramide; NCGC00095042-01; NCGC00095042-02; NCGC00095042-03; NCGC00095042-05; NCGC00095042-07; NCGC00095042-08; NCGC00095042-09; AS-16885; HY-17574; N,N''-Triethylenephosphorothioic triamide; NCI60_013117; SBI-0051814.P002; Aziridine,1',1''-phosphinothioylidynetris-; N,N''-Tri-1,2-ethanediylthiophosphoramide; Phosphorothioic triamide,N',N''-triethylene; Thiophosphoramide, N,N',N'' -triethylene-; tris(aziridin-1-yl)-lambda5-phosphanethione; FT-0600281; tris(aziridin-1-yl)-$l^{5}-phosphanethione; tris(aziridin-1-yl)-sulfanylidenephosphorane; WLN: T3NTJ APS&- AT3NTJ&- AT3NTJ; Y0223; 1-[Di(1-aziridinyl)phosphorothioyl]aziridine #; C07641; D00583; Phosphorothioic triamide, N,N',N''-triethylene; Thiophosphoramide,N',N''-tri-1,2-ethanediyl-; AB00052346-06; AB00052346_07; 145T452; A828998; N,N''-Tri-1,2-ethanediylphosphorothioic triamide; Q416507; Q-201826; SR-05000001855-1; SR-05000001855-5; BRD-K09631521-001-05-7; Phosphorothioic triamide,N',N''-tri-1,2-ethanediyl-; Z2574360269; Thiotepa, United States Pharmacopeia (USP) Reference Standard; 1631739-26-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6396	.	.	.	.	189.22	C6H12N3PS	41.1	194	0.5	11	0	4	3	"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2"	C1CN1P(=S)(N2CC2)N3CC3	FOCVUCIESVLUNU-UHFFFAOYSA-N
DG50181	Thiram	5455	"thiram; Tetramethylthiuram disulfide; 137-26-8; Thiuram; TMTD; Pomarsol; Rezifilm; Thirame; Arasan; Fernasan; Nobecutan; Thioscabin; Thirasan; Aapirol; Tersan; Tetrathiuram disulfide; Tetramethylthiuram; Falitiram; Formalsol; Hexathir; Kregasan; Mercuram; Normersan; Sadoplon; Spotrete; Tetrasipton; Thillate; Thiramad; Aatiram; Atiram; Fermide; Fernide; Hermal; Pomasol; Puralin; Thiosan; Thiotox; Thiulin; Thiulix; Heryl; Pomarsol forte; Methyl tuads; Polyram ultra; Accelerator T; Methyl Thiram; Fernasan A; Nocceler TT; Arasan-M; Bis(dimethylthiocarbamoyl) disulfide; Thiram B; Arasan-SF; Cyuram DS; Ekagom TB; Hermat TMT; Tetramethylenethiuram disulfide; Accel TMT; Accelerator thiuram; Aceto TETD; Radothiram; Royal TMTD; Tetramethyl-thiram disulfid; Fernacol; Sadoplon 75; Tetramethylthiuram bisulfide; Tetrapom; Thioknock; Thirampa; Thiramum; Anles; Arasan-SF-X; Aules; Thimer; Panoram 75; Tetramethylthiouram disulfide; Tetramethylthiuram disulphide; Tetramethylthiurane disulfide; Arasan 70; Arasan 75; Tersan 75; Thiram 75; Thiram 80; Spotrete-F; TMTDS; Arasan 70-S Red; Tetramethylthioperoxydicarbonic diamide; Methylthiuram disulfide; N,N-Tetramethylthiuram disulfide; Metiurac; Micropearls; Nomersan; Thianosan; Cunitex; Delsan; Thimar; Teramethylthiuram disulfide; Tersantetramethyldiurane sulfide; Pol-Thiuram; Arasan 42-S; Tetramethylthiurum disulfide; Disulfure de tetramethylthiourame; Tetrathiuram disulphide; Sranan-sf-X; Bis(dimethylthiocarbamyl) disulfide; Hy-Vic; Chipco thiram 75; Bis(dimethyl-thiocarbamoyl)-disulfid; Orac TMTD; Tetramethylthioramdisulfide; Tetramethyldiurane sulphite; Thiotox (fungicide); Disulfide, bis(dimethylthiocarbamoyl); Bis((dimethylamino)carbonothioyl) disulfide; Fermide 850; Tetramethyl thiuramdisulfide; Tetramethylthiocarbamoyldisulphide; Thiuramyl; Thylate; Tulisan; Methyl thiuramdisulfide; SQ 1489; Tetramethyl thiurane disulfide; Bis(dimethyl thiocarbamoyl)disulfide; Thirame [INN-French]; Thiramum [INN-Latin]; Thiuram D; Disolfuro di tetrametiltiourame; Tetramethyl thiurane disulphide; Tetramethylenethiuram disulphide; N,N'-(Dithiodicarbonothioyl)bis(N-methylmethanamine); RCRA waste number U244; Flo Pro T Seed Protectant; Tetramethylthiuram bisulphide; Tetramethylthiuran disulphide; Tetramethylthiurum disulphide; Tetramethyl thiuram disulfide; alpha,alpha'-Dithiobis(dimethylthio)formamide; Thiotex; Thiurad; Tirampa; Tiuramyl; Trametan; Tridipam; Tripomol; Tyradin; Tuads; Tutan; Vulkacit mtic; N,N,N',N'-Tetramethylthiuram disulfide; N,N-Tetramethylthiuram disulphide; Vulkacit thiuram; Thioperoxydicarbonic diamide, tetramethyl-; Thiuram M; Vulkacit TH; Tetramethylthioramdisulfide [Dutch]; Vulcafor TMT; Vulcafor TMTD; Bis((dimethylamino)carbonothioyl) disulphide; FMC 2070; NSC-1771; Bis(dimethylthiocarbamoyl) disulphide; Tetramethyl-thiram disulfid [German]; UNII-0D771IS0FH; Formamide, 1,1'-dithiobis(N,N-dimethylthio-; dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate; Zaprawa Nasienna T; [Me2NC(S)S]2; Vancida tm-95; Disulfuro di tetrametiltiourame; Arasan 42S; TUEX; Disolfuro di tetrametiltiourame [Italian]; Disulfuro di tetrametiltiourame [Italian]; Disulfure de tetramethylthiourame [French]; NSC1771; Bis(dimethyl-thiocarbamoyl)-disulfid [German]; VUAgT-I-4; Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetramethyl-; [disulfanediylbis(carbonothioylnitrilo)]tetramethane; Thiuram M rubber accelerator; MLS000069752; MLS002702972; 0D771IS0FH; CHEBI:9495; Thiuram disulfide, tetramethyl-; DTXSID5021332; Thiuram-M; Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetramethyl-; NSC49512; CCG-35460; NSC-49512; NSC622696; TNTD; NSC-622696; NCGC00091563-01; SMR000059023; Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetramethyl-; [dithiobis(carbonothioylnitrilo)]tetramethane; DSSTox_CID_1332; DSSTox_RID_76087; .alpha.,.alpha.'-Dithiobis(dimethylthio)formamide; DSSTox_GSID_21332; Caswell No. 856; Granuflo; Thiuramin; C6H12N2S4; N,N',N'-Tetramethylthiuram disulfide; Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetramethyl-; Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetramethyl-; CAS-137-26-8; Formamide,1'-dithiobis(N,N-dimethylthio-; Bis[(dimethylamino)carbonothioyl] disulfide; Attack [Antifungal]; NSC59637; CCRIS 1282; HSDB 863; NSC-59637; ENT 987; WLN: 1N1 & YUS & SSYUS & N1 & 1; NSC 1771; EINECS 205-286-2; NSC 49512; NSC 59637; RCRA waste no. U244; EPA Pesticide Chemical Code 079801; NSC 622696; BRN 1725821; tiramo; Basultra; Betoxin; Tiradin; Accelerant T; AI3-00987; Arasan m; Vulkazam S; Vanguard GF; Vancide TM; Akrochem TMTD; Perkacit TMTD; Vulkacit DTMT; Robac TMT; Thiram (Tmtd); Rezifilm (TN); Arasan 50 red; Spotrete WP 75; MFCD00008325; Vancide TM-95; Naftocit thiuram 16; Spectrum_001687; Thiram (USAN/INN); Agrichem flowable thiram; Spectrum2_001554; Spectrum3_001592; Spectrum4_000860; Spectrum5_001653; bmse000928; EC 205-286-2; NCIMech_000272; cid_5455; NCIOpen2_007854; SCHEMBL21144; BSPBio_003184; KBioGR_001499; KBioSS_002167; 4-04-00-00242 (Beilstein Handbook Reference); BIDD:ER0359; DivK1c_000741; SPECTRUM1503322; SPBio_001428; CHEMBL120563; Thiram [USAN:INN:BSI:ISO]; BDBM43362; HMS502F03; KBio1_000741; KBio2_002167; KBio2_004735; KBio2_007303; KBio3_002684; KUAZQDVKQLNFPE-UHFFFAOYSA-; ENT-987; NINDS_000741; HMS1922A12; HMS2093E03; HMS2234B08; HMS3374C05; Pharmakon1600-01503322; Tetramethylthiuram disulfide, 97%; ZINC1532176; Tox21_111150; Tox21_201569; Tox21_301102; NSC758454; s2431; STL264104; (dimethylamino){[(dimethylamino)thioxomethyl]disulfanyl}methane-1-thione; AKOS000120200; bis (dimethyl thiocarbamoyl) disulfide; Bis(dimethylaminothiocarbonyl)disulfide; Tox21_111150_1; DB13245; KS-5354; MCULE-4171536161; NSC-758454; SQ-1489; IDI1_000741; QTL1_000082; NCGC00091563-02; NCGC00091563-03; NCGC00091563-04; NCGC00091563-05; NCGC00091563-06; NCGC00091563-07; NCGC00091563-08; NCGC00091563-09; NCGC00091563-10; NCGC00091563-12; NCGC00255002-01; NCGC00259118-01; NCI60_001477; NCI60_006736; SBI-0051813.P002; Thiram, PESTANAL(R), analytical standard; DB-042384; B0486; CS-0012858; FT-0631799; 37T268; D06114; D97716; AB00052345_10; Q416572; SR-01000736911; J-006992; J-524968; SR-01000736911-2; Thiram, certified reference material, TraceCERT(R); BRD-K29254801-001-06-3; F0001-0468; TETRAMETHYLTHIOPEROXYDICARBONIC ACID [(H2N)C(S)]2S2; N,N-Dimethyl[(dimethylcarbamothioyl)-disulfanyl]carbothioamide; N,N-dimethyl[(dimethylcarbamothioyl)disulfanyl]carbothioamide; 1-(dimethylthiocarbamoyldisulfanyl)-N,N-dimethyl-methanethioamide; N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester; N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide; N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1771	.	.	.	.	240.4	C6H12N2S4	121	158	1.7	12	0	4	3	InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3	CN(C)C(=S)SSC(=S)N(C)C	KUAZQDVKQLNFPE-UHFFFAOYSA-N
DG50182	Triflupromazine	5568	"triflupromazine; Fluopromazine; Trifluopromazine; Vesprin; 146-54-3; Adazine; Psyquil; 2-(Trifluoromethyl)promazine; Triflupromazina; Triflupromazinum; Psyquil; Siquil; UNII-RO16TQF95Y; N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine; 2-Trifluoromethyl-10-(gamma-dimethylaminopropyl)phenothiazine; 10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine; 10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-; Vesprin (TN); RO16TQF95Y; CHEBI:9711; Vetame; Trifluopromazine hydrochloride; N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine; Fluopromazine monohydrochloride; Phenothiazine, 10-(3-(dimethylamino)propyl)-2-(trifluoromethyl)-; Triflupromazinum [INN-Latin]; Triflupromazina [INN-Spanish]; dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine; NSC14959; NSC17473; HSDB 3407; EINECS 205-673-6; CAS-1098-60-8; Triflupromazine (USP/INN); Triflupromazin; 10-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)phenothiazine; Phenothiazine, 10-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-; SR-01000000224-4; Triflupromazine [USP:INN:BAN]; N,N-Dimethyl-2-(trifluoromethyl)-10H-phenothiazine-10-propanamine; Spectrum_000095; 10-3-(Dimethylamino)propyl-2-(trifluoromethyl)phenothiazine; Prestwick0_000053; Prestwick1_000053; Prestwick2_000053; Prestwick3_000053; Spectrum4_000741; Spectrum5_001282; Lopac-T-2896; CHEMBL570; Lopac0_001146; SCHEMBL44085; BSPBio_000205; BSPBio_003444; KBioGR_001062; KBioSS_000515; cid_66069; DivK1c_000808; SPBio_002126; BPBio1_000227; GTPL4330; DTXSID9023704; BDBM67544; KBio1_000808; KBio2_000515; KBio2_003083; KBio2_005651; NINDS_000808; ZINC538507; PDSP1_001344; PDSP2_001328; N,N-dimethyl-3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)-1-propanamine; CCG-205220; DB00508; MCULE-9151902507; SDCCGSBI-0051113.P004; IDI1_000808; N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine hydrochloride; NCGC00016012-01; NCGC00016012-02; NCGC00016012-03; NCGC00016012-04; NCGC00016012-05; NCGC00016012-06; NCGC00016012-07; NCGC00016012-08; NCGC00016012-09; NCGC00016012-16; NCGC00024300-04; LS-14640; NCI60_001029; NCI60_001426; SBI-0051113.P003; AB00053647; D00390; AB00053647_16; AB00053647_17; 146T543; L001149; Q510494; BRD-K63675182-003-14-5; dimethyl-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]amine;hydrochloride; N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazinyl]-1-propanamine;hydrochloride; N,N-Dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]-1-propanamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17473	.	.	.	.	352.4	C18H19F3N2S	31.8	416	5.2	24	0	6	4	"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F	XSCGXQMFQXDFCW-UHFFFAOYSA-N
DG50183	Triton X-100	5590	"Triton X-100; 2315-67-5; 9002-93-1; Octoxinol; Octoxynol-1; Octoxynol-3; Triton X; 4-tert-Octylphenol Monoethoxylate; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol; Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-; Octoxynol 1; UNII-20CAX7IO75; Poly(oxyethylene)-p-tert-octylphenyl ether; Polyethylene glycol mono(p-tert-octylphenyl) ether; 20CAX7IO75; Polyoxyethylene mono(octylphenyl) ether; Triton,(-); NCGC00091012-01; 4-tert-Octylphenol monoethoxylate solution; Triton X 45; Triton X 305; DSSTox_CID_14085; DSSTox_RID_79110; DSSTox_GSID_34085; Marlophen 820; Neutronyx 605; Ethanol, 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-; Hyonic pe-250; Triton X 35; Octoxinolum; Triton X 165; Triton X 405; Triton X 705; Triton X-102; MFCD00132505; Peg 4-isooctylphenyl ether; Peg 4-tert-octylphenyl ether; CAS-9002-93-1; Ethanol, octylphenoxy-; Triton X 102; 2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethanol; p-tert-(Octylphenoxypolyethoxy)ethanol; Polyoxyethylene (9) octylphenyl ether; Polyoxyethylene (13) octylphenyl ether; Polyethylene glycol 450 octyl phenyl ether; Octoxinol (INN); NSC 5259; Peg (P-(1,1,3,3-tetramethylbutyl)phenyl) ether; Octyl phenol condensed with l2-l3 moles ethylene oxide; Octoxynol 9 (NF); Octylphenol Ethoxylate; Triton,(+); Igepal CA 630; Triton X-405; Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether; Triton X-100 (TN); alpha-(4-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxy-1,2-ethanediyl); SCHEMBL33822; CHEMBL39763; octylphenoxy polyethoxy ethanol; 2-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]ethanol; alpha-(P-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol; CHEBI:9750; DTXSID1058680; DTXSID8034085; BDBM81480; NSC5259; 4-iso-Octylphenol-mono-ethoxylate; CHEBI:177811; Bio1_000474; Bio1_000963; Bio1_001452; ETHANOL, 2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-; CAS_5590; NSC-5259; NSC_5590; ZINC1532311; EINECS 264-520-1; Tox21_111055; Tox21_202544; PDSP1_001087; PDSP2_001071; STL451484; AT25387; MCULE-7119685362; NSC-406472; Polyethylene glycol p-octylphenyl ether; NCGC00260093-01; AS-68067; CAS_118-96-7; 4-tert-Octylphenol Monoethoxylate-[13C6]; Ethanol,1,3,3-tetramethylbutyl)phenoxy]-; FT-0673247; FT-0689215; Polyethylene glycol 4-tert-octylphenyl ether; D05229; J-015013; 4-tert-Octylphenol-monoethoxylate-ring-13C6 solution; Q27253450; 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol; 4-(1,1,3,3-Tetramethylbutyl)phenyl-polyethylene glycol; 4-iso-Octylphenol-mono-ethoxylate 10 microg/mL in Acetone; Glycols, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether; Polyethylene glycol p-(1,3,3-tetramethylbutyl)phenyl ether; Phenol,1,3,3-tetramethylbutyl)-, monoether with polyethylene glycol; Polyethylene glycol mono[p-(1,3,3-tetramethylbutyl)phenyl] ether; 4-tert-Octylphenol monoethoxylate solution, 1 mug/mL in acetone, analytical standard; 4-tert-Octylphenol monoethoxylate solution, 10 mug/mL in acetone, analytical standard; Poly(oxy-1, .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-; 3,9,12,15,18,21,24,27,30-Decaoxatriacontan-1-ol, 30-[p-(1,1,3,3-tetramethylbutyl)phenyl]-; 63869-93-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406472	.	.	.	.	250.38	C16H26O2	29.5	232	4.6	18	1	2	6	"InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO	JYCQQPHGFMYQCF-UHFFFAOYSA-N
DG50184	Malonoben	5614	"tyrphostin A9; Malonoben; 10537-47-0; Tyrphostin 9; 2-(3,5-Di-tert-butyl-4-hydroxybenzylidene)malononitrile; NSC 242557; GCP 5126; ENT 27910; SF 6847; AG 17; UNII-87TE8MRS65; RG-50872; (3,5-Di-t-butyl-4-hydroxybenzylidene)malononitrile; Tyrphostin 9 (RG-50872, Malonaben, SF 6847); S-15126; 3,5-di-t-Butyl-4-hydroxy-benzylidenemalononitrile; MLS002702095; 87TE8MRS65; CHEBI:82168; 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile; GCP5126; 2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile; MFCD00209853; NSC242557; Propanedinitrile, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-; Malonoben [ANSI]; 3,5-Di-tert-butyl-4-hydroxybenzilidenemalononitrile; (3,5-Di-tert-butyl-4-hydroxy-benzylidene)malononitrile; (3,5-di-tert-butyl-4-hydroxybenzylidene)propanedinitrile; Caswell No. 291AA; 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-propanedinitrile; Gulf S-15126; SMR001230759; Malonoben [ANSI:ISO]; EPA Pesticide Chemical Code 537200; BRN 2700764; Malonaben; AI3-27910; tyrphostin-A9; propanedinitrile, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; Tyrphostin AG 17; Tyrphostin 9AG-17; Tyrphostin A9, solid; TYRPHOSTINA9; Lopac-T-182; BiomolKI_000020; 2-((3,5-Bis(1,1-dimethyl)-4-hydroxyphenyl)methylene)propanedinitrile; BiomolKI2_000009; 2-((3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl)methylene)propanedinitrile; Propanedinitrile, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-; Neuro_000115; CBiol_001719; Lopac0_001254; Oprea1_168738; BMK1-C8; BSPBio_001200; KBioGR_000540; KBioSS_000540; 4-10-00-02178 (Beilstein Handbook Reference); MLS002153354; CHEMBL78150; SCHEMBL120440; TYRPHOSTIN 9, AG-9; Tyrphostin 9 (SF 6847); AG17; BDBM4325; ZINC5256; DTXSID1042106; KBio2_000540; KBio2_003108; KBio2_005676; KBio3_000979; KBio3_000980; Bio1_000005; Bio1_000494; Bio1_000983; Bio2_000440; Bio2_000920; HMS1362L21; HMS1792L21; HMS1990L21; HMS2232D08; HMS3263L10; HMS3371F08; HMS3403L21; HMS3651J06; MALONONITRILE, 3,5-DI-tert-BUTYL-4-HYDROXYBENZYLIDENE-; 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile; BCP06486; Malononitrile, (3,5-di-tert-butyl-4-hydroxybenzylidene)- (8CI); Tox21_501254; HSCI1_000185; MCK103008; s2895; STL406446; [[3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile; AKOS024319213; Propanedinitrile,2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; CCG-100624; CS-1033; LP01254; MCULE-2226202492; NSC-242557; QC-1143; SDCCGSBI-0051221.P002; SF-6847; IDI1_002195; benzylidenemalononitrile (BMN) deriv. 9; NCGC00015992-01; NCGC00015992-02; NCGC00015992-03; NCGC00015992-04; NCGC00015992-05; NCGC00015992-06; NCGC00015992-07; NCGC00094494-01; NCGC00094494-02; NCGC00094494-03; NCGC00094494-04; NCGC00094494-05; NCGC00261939-01; AC-32053; HY-15511; LS-14656; NCI60_001943; SF 6847;RG-50872; EU-0101254; SW219498-1; T-182; Y0356; A11949; C19039; N10851; 2,6-Di-tert-butyl-4-(2,2-dicyanovinyl)phenol; AG 17 - CAS 10537-47-0; SR-01000075534; J-001407; J-524054; Malononitrile,5-di-tert-butyl-4-hydroxybenzylidene-; SR-01000075534-1; 3,5-di-tert-butyl-4-hydroxybenzylidene-malononitrile; BRD-K40255344-001-04-4; BRD-K40255344-001-05-1; Q27155778; (3,5-di-tert-butyl-4-hydroxybenzylidene)-Malononitrile; 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-malononitrile; 2-[[3,1-dimethyl)-4-hydroxyphenyl]methylene]propanedinitrile; 2-[[3,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile; [[3,5-bis(1,1-Dimethylethyl)-4-hydroxyphenyl]methylene]-propanedinitrile; Propanedinitrile,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-; [[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	242557	.	.	.	.	282.4	C18H22N2O	67.8	459	5	21	1	3	3	"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3"	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N	MZOPWQKISXCCTP-UHFFFAOYSA-N
DG50185	Undecylenic acid	5634	"undecylenic acid; 10-UNDECENOIC ACID; Undec-10-enoic acid; 112-38-9; Undecenoic acid; 10-Hendecenoic acid; Desenex; Renselin; Declid; Sevinon; 9-Undecylenic acid; 10-Undecylenic acid; Undecyl-10-enic acid; UNDECEN-10-ACID-1; Undecylenic Acids; Kyselina undecylenova; 10-Henedecenoic acid; undecylenate; FEMA No. 3247; 10-Hendecenoic; Desenex, solution; NSC 2013; n-Undecylenic acid; UNII-K3D86KJ24N; omega-undecenoic acid; Cruex (TN); omega-hendecenoic acid; CHEBI:35045; MFCD00004442; 1333-28-4; 10-Undecenoic acid, 98%; Undecylenic acid (JAN/USP); K3D86KJ24N; 10-Undecenoic acid, homopolymer; NSC2013; NSC-2013; Undesine; Cruex; C11:1n-1; NCGC00159425-02; NCGC00159425-04; Desenex solution; DSSTox_CID_15001; DSSTox_RID_79235; DSSTox_GSID_35001; 96451-28-4; Caswell No. 901; Undecenoic acid, omega-; Undecylenic acid [JAN]; Hendecenoic acid, omega-; CAS-112-38-9; Kyselina undecylenova [Czech]; EINECS 203-965-8; EPA Pesticide Chemical Code 085501; BRN 1762631; Kyselina 9-decen-1-karboxylova [Czech]; Undecylenic acid [USP:JAN]; undecelinic acid; undecylenic-acid; AI3-02065; Kyselina 9-decen-1-karboxylova; Undecylenenic acid; 10-Undecensaeure; 10-Undecenic acid; EINECS 215-583-9; Undecen-10-saeure; n-UNDECYLENIC ACID (10-1); Zinc Undecylenate (undecylenic acid); 10-undeceneoic acid; acide 10-undecylique; acido 10-undecenoico; acide 10-undecanoique; Undecylenic acid, USAN; EC 203-965-8; NCIOpen2_002642; WLN: QV9U1; SCHEMBL17827; 4-02-00-01612 (Beilstein Handbook Reference); CHEMBL1276010; DTXSID8035001; FEMA 3247; Undecylenic acid, >=95%, FG; Undecylenic acid, >=96%, FG; HMS2093L21; Pharmakon1600-01505468; HY-B0914; ZINC1577120; Tox21_111657; Tox21_300383; BBL027462; BDBM50248304; LMFA01030036; NSC759153; s9452; STK801548; AKOS009031595; Tox21_111657_1; CCG-213461; DB11117; MCULE-7928135942; NSC-759153; 10-Undecenoic acid, analytical standard; NCGC00159425-03; NCGC00159425-05; NCGC00159425-09; NCGC00254296-01; Undecylenic acid, natural, >=97%, FG; NCI60_001670; SBI-0206806.P001; SBI-0206806.P002; FT-0607203; U0007; 10-Undecenoic acid, purum, >=97.0% (GC); D02159; P19683; AB00630892_02; Q420346; SR-05000002050; 10-Undecenoic acid, Vetec(TM) reagent grade, 98%; SR-05000002050-1; W-200840; F0001-0258; Undecylenic acid, United States Pharmacopeia (USP) Reference Standard; 10-Undecenoic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, 98-100.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2013	.	.	.	.	184.27	C11H20O2	37.3	141	3.9	13	1	2	9	"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)"	C=CCCCCCCCCC(=O)O	FRPZMMHWLSIFAZ-UHFFFAOYSA-N
DG50186	Usnic acid	5646	"usnic acid; 125-46-2; Usniacin; Usno; Usninic acid; 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; usnic-acid; L-Usnic acid; NSC 8517; NSC5890; 7-Hydroxy-(S)-usnate; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; CHEBI:2264; NSC5889; NSC8517; Usninsaeure [German]; (+-)-Uanic acid; 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),6,10,12-tetraene-3,5-dione; CCRIS 5518; HSDB 7170; EINECS 204-740-7; BRN 1299865; Usinic acid; AI3-50457; Spectrum_000177; (+/-)-Usnic acid; Spectrum2_000744; Spectrum3_001195; Spectrum4_001811; Spectrum5_000541; USNIC ACID, (D); USNIC ACID, (L); (.+/-.)-Usnic acid; BSPBio_002869; KBioGR_002446; KBioSS_000657; DivK1c_001009; SCHEMBL177774; SPBio_000728; CHEMBL1375951; DTXSID0040123; HMS503I19; KBio1_001009; KBio2_000657; KBio2_003225; KBio2_005793; KBio3_002369; NINDS_001009; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; HY-N0656; NSC-5889; NSC-5890; NSC-8517; BBL009902; CCG-40251; s4953; STK801335; 1,3-(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; AKOS005613032; SDCCGMLS-0066516.P001; IDI1_001009; NCGC00094823-01; NCGC00094823-02; NCGC00094823-03; AS-18744; NCI60_004436; NCI60_004437; CS-0009679; FT-0605175; FT-0627625; U0023; X1246; A805384; Usnic acid, Antibiotic for Culture Media Use Only; Q-100111; BRD-A85739295-001-03-6; Q27105599; WLN: T B656 CV EV HO FU BHT & JB1 DV1 KQ L1 MQ; 1,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; Dibenzofuran-1,9bH)-dione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; (+/-)-1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-9bh-dibenzofuran-1,3-dione, AldrichCPR; 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione;Usnic acid; 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione #; 2,6-Diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldiben- zofuran-1,3-dione/ Usno"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5889	.	.	.	.	344.3	C18H16O7	118	708	1.4	25	2	7	2	"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3"	CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O	CUCUKLJLRRAKFN-UHFFFAOYSA-N
DG50187	"7,11,13,19-Tetramethyl-2-oxoazacycloicosa-3,5,10,13,15-pentaen-8-yl 2,4,6-trideoxy-4-(methylamino)hexopyranoside"	5664	"NSC641691; Neuro_000316; 7,11,13,19-Tetramethyl-2-oxoazacycloicosa-3,5,10,13,15-pentaen-8-yl 2,4,6-trideoxy-4-(methylamino)hexopyranoside; NCI60_014096"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641691	.	.	.	.	500.7	C30H48N2O4	79.8	829	5	36	3	5	3	"InChI=1S/C30H48N2O4/c1-21-12-8-7-9-13-23(3)20-32-28(34)15-11-10-14-24(4)27(17-16-22(2)18-21)36-29-19-26(33)30(31-6)25(5)35-29/h7-8,10-12,14-16,23-27,29-31,33H,9,13,17-20H2,1-6H3,(H,32,34)"	CC1CCC=CC=C(CC(=CCC(C(C=CC=CC(=O)NC1)C)OC2CC(C(C(O2)C)NC)O)C)C	FINGADBUNZWVLV-UHFFFAOYSA-N
DG50188	Lificiguat	5712	"yc-1; Lificiguat; 170632-47-0; YC 1; 3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole; (5-(1-benzyl-1H-indazol-3-yl)furan-2-yl)methanol; UNII-515CC1WPTE; 154453-18-6; [5-(1-benzylindazol-3-yl)furan-2-yl]methanol; 515CC1WPTE; CHEMBL333985; 3-(5'-Hydroxymethyl-2'-furyl)-1-benzyl indazole; 3-(5/'-hydroxymethyl-2/'-furyl)-1-benzylindazole; 5-[1-(Phenylmethyl)-1H-indazol-3-yl]-2-furanmethanol; YC1; 1-Benzyl-3-(5-hydroxymethyl-2-furyl)indazole; [5-(1-benzyl-1H-indazol-3-yl)furan-2-yl]methanol; [5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol; YC 1 compound; YC-1 compound; Lificiguat [INN]; SMR000857214; Lificiguat(YC-1); SR-01000076202; [5-(1-benzyl-1h-indazol-3-yl)-2-furyl]methanol; lificiguatum; YC-1(Lificiguat); YC-1; Lificiguat; YC-1, powder; 2-Furanmethanol,5-[1-(phenylmethyl)-1H-indazol-3-yl]-; Lopac-Y-102; Lopac0_001230; BSPBio_000987; KBioGR_000327; KBioSS_000327; MLS001333257; MLS001333258; MLS002172480; MLS006012048; SCHEMBL187837; GTPL5291; CHEBI:93060; KBio2_000327; KBio2_002895; KBio2_005463; KBio3_000653; KBio3_000654; DTXSID70165635; CHEBI:142430; Bio2_000324; Bio2_000804; HMS1362A09; HMS1792A09; HMS1990A09; HMS2235B17; HMS3263F22; HMS3373B12; HMS3403A09; HMS3649M04; KUC114162N; BCP09072; EX-A2409; VGA63247; ZINC1492386; Tox21_501230; 4164AH; BDBM50095469; MFCD06407798; NSC728165; NSC756879; s7958; AKOS022180370; CCG-205304; CS-3363; LP01230; NSC 728165; NSC-728165; NSC-756879; SDCCGSBI-0051197.P002; IDI1_002079; QTL1_000091; NCGC00016103-01; NCGC00016103-02; NCGC00016103-03; NCGC00016103-04; NCGC00016103-05; NCGC00016103-06; NCGC00016103-07; NCGC00016103-17; NCGC00094472-01; NCGC00094472-02; NCGC00094472-03; NCGC00094472-04; NCGC00261915-01; AC-29036; AS-55797; DA-29768; HY-14927; KSC-412-005-; B7641; EU-0101230; FT-0757306; Y-102; 1-Benzyl-3-(5-hydroxymethylfur-2-yl)indazole; 1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole; 3-(5'-hydroxymethyl-2'furyl)-1-benzyl-indazole; A907557; 1-Benzyl-3-(5-hydroxymethyl-2-furyl)-1H-indazole; J-010636; SR-01000076202-1; SR-01000076202-7; BRD-K60476892-001-02-1; BRD-K60476892-001-11-2; Q27089256; [5-(1-Benzyl-1H-indazol-3-yl)-furan-2-yl]-methanol; 1-(1-benzyl-3-(5''-hydroxymethyl-2''-furyl)-indazole; 2-Furanmethanol, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-; 5-a[1-a phenylmethyl)-a H-aindazol-a -ayl]-a -afuranmethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	728165	.	.	.	.	304.3	C19H16N2O2	51.2	386	3.1	23	1	3	4	"InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2"	C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO	OQQVFCKUDYMWGV-UHFFFAOYSA-N
DG50189	Aztec	5726	"NSC602670; Azidothymidine (AZT); BW-A 509U; Aztec; 3'-Deoxy-3'-azidothymidine; Azitidin; Timazid; Zidovudine, AZT; NSC-602670; Thymidine, 8CI,; Trizivir (Salt/Mix); 3-Azido-3-deoxythymidine; CHEMBL178240; SCHEMBL13609910; component of Combivir (Salt/Mix); HMS3369K15; HMS3656A20; BCP03622; 3'-Azido-3'-deoxythymidine, 98%; STL451000; STL454167; ZINC04164448; AKOS015949577; AKOS037482514; CCG-229922; MCULE-3669241621; NCGC00015044-03; NCGC00015044-04; NCGC00015044-05; NCGC00094963-01; NCGC00094963-02; NCI60_004566; FT-0601543; 1-(3-azido-2,3-dideoxypentofuranosyl)-2-hydroxy-5-methylpyrimidin-4(1H)-one; 1-(3-azido-2,3-dideoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one; ZVD"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602670	.	.	.	.	267.24	C10H13N5O4	93.2	484	0	19	2	6	3	"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]	HBOMLICNUCNMMY-UHFFFAOYSA-N
DG50190	3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide	5730	"ZM 336372; 208260-29-1; ZM336372; ZM-336372; 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide; N-[5-(3-Dimethylaminobenzamido)-2-methylphenyl]-4-hydroxybenzamide; CHEMBL186526; n-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide; 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 3-(Dimethylamino)- N -[3-[(4-hydroxybenzoyl)-amino]-4-methylphenyl]benzamide; Benzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]-; Bio1_001346; compound 1 [PMID: 15454231]; BiomolKI_000053; BiomolKI2_000059; BMK1-F5; BSPBio_001240; KBioGR_000580; KBioSS_000580; MLS006011222; GTPL9130; SCHEMBL1424183; CHEBI:95033; KBio2_000580; KBio2_003148; KBio2_005716; KBio3_001039; KBio3_001040; AOB6016; DTXSID70274478; Bio1_000368; Bio1_000857; Bio2_000460; Bio2_000940; HMS1362N21; HMS1792N21; HMS1990N21; HMS3267N15; HMS3403N21; HMS3412G10; HMS3656J17; HMS3676G10; HMS3750E15; ZINC581684; BCP02628; EX-A4551; BDBM50153835; MFCD02683971; NSC756654; ZINC00581684; AKOS005266695; BCP9000021; CCG-100657; CS-0693; NSC-756654; SB19423; IDI1_002215; NCGC00025109-01; NCGC00025109-02; NCGC00025109-03; NCGC00025109-04; NCGC00025109-06; AS-73349; HY-13343; SMR004702983; FT-0675916; SW218185-2; X7462; EC-000.2459; ZM 336372, >=98% (HPLC); A852470; SR-01000597402; J-013659; SR-01000597402-1; BRD-K73789395-001-04-0; BRD-K73789395-001-05-7; Q27089299; ZM 336372 - CAS 208260-29-1; N-[5-(3-dimethylaminobenzamido)-2-methylphenyl]4-hydroxybenzamide; 3-(Dimethylamino)-N-[3-[(4-hydroxybenzoyl)-amino]-4-methylphenyl]benzamide; 3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide; 1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyphenylcarboxamido)-4-methylbenzene; 3-(Dimethylamino)-N-[3-[(4-hydroxybenzoyl)-aMino]-4-Methylphenyl]benzamide;ZM336372; Benzamide, 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]; N-{5-[3-(DIMETHYLAMINO)BENZAMIDO]-2-METHYLPHENYL}-4-HYDROXYBENZAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	756654	.	.	.	.	389.4	C23H23N3O3	81.7	560	3.7	29	3	4	5	"InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)"	CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O	PYEFPDQFAZNXLI-UHFFFAOYSA-N
DG50192	Triethylenemelamine	5799	"Triethylenemelamine; Tretamine; 51-18-3; Trisaziridinyltriazine; Tretamin; Triamelin; Triethanomelamine; Persistol; Triaziridinyl triazine; Tem-Simes; TEM (cytostatic); 2,4,6-Tris(1-aziridinyl)-s-triazine; 2,4,6-tris(aziridin-1-yl)-1,3,5-triazine; Melamine, triethylene-; Persistol Ho 1/193; Persistol Hoe 1/193; Tris(ethyleneimino)triazine; Triaethylenmelamin; 1,3,5-Triazine, 2,4,6-tris(1-aziridinyl)-; DRP 859025; ENT 25,296; SK 1133; NSC9706; UNII-F7IY6HZG9D; Trisethyleneimino-1,3,5-triazine; 2,4,6-Triethylenimino-s-triazine; NSC 9706; R 246; TEM; 2,4,6-tri(aziridin-1-yl)-1,3,5-triazine; 2,4,6-Tris(1-aziridinyl)-1,3,5-triazine; 2,4,6-Tris(ethylenimino)-s-triazine; M 9500; 2,4,6-Tris(ethyleneimino)-s-triazine; 2,4,6-Tri(ethyleneimino)-1,3,5-triazine; R-246; NSC-9706; 2,4,6-Tris(1'-aziridinyl)-1,3,5-triazine; M-9500; F7IY6HZG9D; 1,1',1''-s-Triazine-2,4,6-triyltrisaziridine; Aziridine, 1,1',1''-s-triazine-2,4,6-triyltris-; TAT; 2,4,6-Tri(1-aziridinyl)-1,3,5-triazine; CHEBI:27919; S-TRIAZINE, 2,4,6-TRIS(1-AZIRIDINYL)-; Tretaminum; Tretamina; Tretaminum [INN-Latin]; Tretamina [INN-Spanish]; Triaethylenmelamin [German]; Tretamine [INN]; CCRIS 613; HSDB 4000; 2,4,6-Triethyleneimino-s-triazine; Triethylenemelamine [NF]; EINECS 200-083-5; BRN 0242245; 2,4,6-Triethylenimino-1,3,5-triazine; AI3-25296; triethylene melamine; NCIMech_000144; SCHEMBL8359; CHEMBL502384; 2,6-Tri(ethylenimino-s-trazine; DTXSID3026225; IUCJMVBFZDHPDX-UHFFFAOYSA-; 2,6-Tri(ethyleneimino)-s-triazine; 2,6-Tris(ethylenimino)-s-triazine; ZINC1530868; 2,6-Tris(ethyleneimino)-s-triazine; 2,6-Tris(1-aziridinyl)-s-triazine; CCG-35428; 2,4,6-Tri(ethylenimino)-s-triazine; 2,4,6-Tri(ethyleneimino)-s-triazine; AKOS015907094; s-Triazine,4,6-tris(1-aziridinyl)-; DB14031; MCULE-8424616595; 2,6-Tri(ethylenimino-1,3,5-triazine; 2,6-Tri(ethyleneimino)-1,3,5-triazine; NCI60_042167; SK #1133; 2,6-Tris(1-aziridinyl)-1,3,5-triazine; 2,4,6-Tri(ethylenimino)-1,3,5-triazine; 1,1''-s-Triazine-2,4,6-triyltrisaziridine; 1,5-Triazine, 2,4,6-tris(1-aziridinyl)-; 2,4,6-Tri(1-aziridinyl)-1,3,5-triazine #; C07642; 2,4,6-tris(aziridin-1-yl)-[1,3,5]triazine; AB00641911-02; A871352; Aziridine,1',1''-s-triazine-2,4,6-triyltris-; SR-01000941587; Q7841462; SR-01000941587-1; WLN: T6N CN ENJ B- AT3NTJ& D- AT3NTJ& F- AT3NTJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9706	.	.	.	.	204.23	C9H12N6	47.7	205	0.7	15	0	6	3	InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2	C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4	IUCJMVBFZDHPDX-UHFFFAOYSA-N
DG50193	Mechlorethamine hydrochloride	5935	"55-86-7; Mechlorethamine hydrochloride; Chlormethine hydrochloride; Mechlorethamine HCl; Nitrogen mustard hydrochloride; Chlorethamine; 2-CHLORO-N-(2-CHLOROETHYL)-N-METHYLETHANAMINE HYDROCHLORIDE; HN2 hydrochloride; Chlormethinum; Stickstofflost; Chloramin; Mustine hydrochloride; Azotoyperite; Dichloren; Embikhine; Mitoxine; Dimitan; Erasol; Bis(2-chloroethyl)methylamine hydrochloride; Nitol; Dema; Nitol takeda; Erasol-Ido; Caryolysine; Mustin hydrochloride; Embichin; Nitrogranulogen hydrochloride; N-Mustard; Mechlorethamine chloridrate; N-Methylbis(2-chloroethyl)amine hydrochloride; Stickstofflost-ebewe; Dichloromethyldiethylamine hydrochloride; 2,2'-Dichloro-N-methyldiethylamine hydrochloride; 1,5-Dichloro-3-methyl-3-azapentane hydrochloride; Di(2-chloroethyl)methylamine hydrochloride; Methyldi(2-chloroethyl)amine hydrochloride; NCI-C56382; ChlorMethine HCl; MBA hydrochloride; Methylbis(2-chloroethyl)amine hydrochloride; UNII-L0MR697HHI; Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, hydrochloride; Chlormethine (hydrochloride); SK 101; N-Methyl-2,2'-dichlorodiethylamine hydrochloride; Methyldi(beta-chloroethyl)amine hydrochloride; N-Methyl-di-2-chloroethylamine hydrochloride; N-Lost; Methyl-bis(beta-chloroethyl)amine hydrochloride; N-Methyl-bis-beta-chlorethylamine hydrochloride; C 6866; N,N-Bis(2-chloroethyl)methylamine hydrochloride; Nitrogen mustard (HN-2), hydrochloride; L0MR697HHI; beta,beta'-Dichlorodiethyl-N-methylamine hydrochloride; NSC762; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochlroide; CHEBI:55368; N,N-Bis(2-chloraethyl)methylamin-hydrochlorid; Bis(2-chloroethyl)-N-methylamine hydrochloride; NSC-762; Mechlorethamine hydrochloride [USP]; Carolysine; Mebichloramine; Nitrogranulogen; Embechine; MFCD00012517; NCGC00091835-01; Embiquine; Zagreb; Pliva; bis-(2-chloroethyl)methylamine hydrochloride; C5H11Cl2N.HCl; DSSTox_CID_5757; DSSTox_RID_77910; DSSTox_GSID_25757; Kloramin (VAN); N-Mustard [German]; 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride; Mechlorethamine hydrochloride (USP); CAS-55-86-7; CCRIS 448; Dichloren hydrochloride; HSDB 7176; EINECS 200-246-0; AI3-16195; Mustine hydrochlor; Nitol 'takeda'; Mustargen (TN); Prestwick_37; Valchlor (TN); Erasol hydrochloride; Nitrogen mustard HCl; Embichin hydrochloride; Chloramin hydrochloride; Mustargen hydrochloride; N,N-Bis(2-chloraethyl)methylamin-hydrochlorid [German]; Caryolysine hydrochloride; NSC-762 hydrochloride; Chlormethini hydrochloridum; Chloromethine hydrochloride; Mechorethamine hydrochloride; SCHEMBL3855; MLS003899210; Diethylamine, 2,2'-dichloro-N-methyl, hydrochloride; CHEMBL1201001; DTXSID8025757; WLN: G2N1&2G &GH; AOB5509; Mechlorethamine hydrochloride, 98%; HY-B1253; Tox21_111170; Tox21_200638; s4252; AKOS015915356; Tox21_111170_1; CCG-264667; CS-5080; MCULE-9007971316; Nitrogen mustard (HN 2) hydrochloride; bis(2-chloroethyl)methylammonium chloride; NCGC00091835-10; NCGC00258192-01; BP-20221; SMR000059226; DB-007290; bis(2-chloroethyl)-methylamine hydrochloride; bis(2-chloroethyl)methyl amine hydrochloride; N,N-bis(chloroethyl)methylamine hydrochloride; SW220100-1; X2940; bis (2-chloroethyl)-methylamine hydrochloride; bis (2-chloroethyl)methyl amine hydrochloride; bis-(2-chloroethyl)-methylamine hydrochloride; n-methylbis (2-chloroethyl)amine hydrochloride; bis-(2-chloroethyl)-methyl-amine hydrochloride; D04872; F11444; J10403; Methyldi(.beta.-chloroethyl)amine hydrochloride; N-methyl-bis-(2-chloroethyl)amine hydrochloride; N-methylbis(2-chloroethyl)-amine hydrochloride; 2,2'-Dichloro-N-methyldiethylamino hydrochloride; Bis(2-chloroethyl)methylamine-[d4] Hydrochloride; bis-(2-Chloro-ethyl)-methyl-amine hydrochloride; Diethylamine,2'-dichloro-N-methyl, hydrochloride; Methylbis(.beta.-chloroethyl)amine hydrochloride; Diethylamine,2'-dichloro-N-methyl-, hydrochloride; Methyl bis(.beta.-chloroethyl)amine, hydrochloride; N-Methylbis(.beta.-chlorethyl)amine hydrochloride; 1,5-Dichloro-3-methyl-3-azapentane, hydrochloride; N,N-bis(2-chloroethyl)-N-methylamine hydrochloride; W-105542; Q27124263; .beta.,.beta.'-Dichlorodiethyl-N-methylamine hydrochloride; 2-chloro-N-(chloroethyl)-N-methylethanamine hydrochloride; 2-chloro-N-(2 -chloroethyl)-N-methylethanamine hydrochloride; 2-chloro-N-(2-chloroethyl) -N-methylethanamine hydrochloride; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	762	.	.	.	.	192.5	C5H12Cl3N	3.2	43.7	.	9	1	1	4	"InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H"	CN(CCCl)CCCl.Cl	QZIQJVCYUQZDIR-UHFFFAOYSA-N
DG50195	Cetrimonium bromide	5974	"Cetrimonium bromide; 57-09-0; Cetyltrimethylammonium bromide; Hexadecyltrimethylammonium bromide; CTAB; Centimide; CETAB; Bromat; Ctmab; Cee dee; Hexadecyl trimethyl ammonium bromide; Trimethylcetylammonium bromide; Acetoquat CTAB; Cetyl trimethyl ammonium bromide; Cetaflon; Cetavlon; Lauroseptol; Lissolamine; Pollacid; Quamonium; Suticide; Cetarol; Micol; Cetrimide bp; Lissolamine A; Cetavlon bromide; Lissolamin V; N-Cetyltrimethylammonium bromide; Cetrimonium (bromide); Cycloton V; Cirrasol OD; Softex KW; Cetrimonii bromidum; Hexadecyltrimethylammoniumbromide; Bromuro de cetrimonio; Trimethylhexadecylammonium bromide; Bromure de cetrimonium; N-HEXADECYLTRIMETHYLAMMONIUM BROMIDE; N,N,N-trimethylhexadecan-1-aminium bromide; (1-Hexadecyl)trimethylammonium bromide; Palmityltrimethyl ammonium bromide; N,N,N-Trimethylcetylammonium bromide; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide; N,N,N-Trimethyl-1-hexadecanaminium bromide; UNII-L64N7M9BWR; N-Hexadecyl-N,N,N-trimethylammonium bromide; CHEBI:3567; Palmityltrimethylammonium bromide; 1-Hexadecyltrimethylammonium bromide; MFCD00011772; Cetrimonium Bromide (CTAB); L64N7M9BWR; cetyl trimethylammonium bromide; CHEMBL307346; hexadecyltrimethylazanium bromide; Hexadecyl-trimethyl-ammonium; bromide; NSC-32927; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1); NCGC00164283-01; Cetrimida; Mical; Cirrasol-OD; DSSTox_CID_17028; DSSTox_RID_79297; DSSTox_GSID_37028; Bromat (VAN); Micol (VAN); Caswell No. 167; Lissolamine V (VAN); Cetavlex; Cradocap; Zetrimid; Cetrimide [INN:BAN:JAN]; Cetyltrimethylammonium (bromide);Hexadecyltrimethylammonium (bromide);CTAB; Cetrimonio bromuro; Cetrimonio bromuro [DCIT]; CAS-57-09-0; CTABR; Cetrimonii bromidum [INN-Latin]; SR-05000001830; EINECS 200-311-3; Bromure de cetrimonium [INN-French]; Bromuro de cetrimonio [INN-Spanish]; NSC 32927; cetyltrimethylammoniumbromide; EPA Pesticide Chemical Code 069117; C19H42BrN; AI3-12209; cetyl N; Hexadecanyltrimethylammonium bromide; hexadecyl(trimethyl)azanium bromide; Cetrimonium bromide [INN:BAN:NF]; hexadecyl(trimethyl)ammonium bromide; Ammonium, hexadecyltrimethyl-, bromide; Sumquat 6030; Epitope ID:116869; EC 200-311-3; SCHEMBL4377; Zephirol Related Compound 5; cetyltrimethyl ammonium bromide; cetyltrimethyl-ammonium bromide; SPECTRUM1503200; Cetrimonium bromide (NF/INN); cetyl trimethyl-ammonium bromide; DTXSID5037028; HMS500K11; hexadecyl-trimethylammonium bromide; N,N-Trimethylcetylammonium bromide; HMS1922G21; HMS2092L22; HMS3652J19; Pharmakon1600-01503200; hexadecyl-trimethyl ammonium bromide; HY-B1260; NSC32927; Tox21_112096; Tox21_300853; CCG-39968; NSC758401; s4242; ScintiGest  Tissue Solubilizer; STL477543; AKOS015915119; Tox21_112096_1; CS-4893; JC10039; MCULE-7452998571; NSC-758401; SB40734; Hexadecyltrimethylammonium bromide, 99%; N,N-Trimethyl-1-hexadecanaminium bromide; NCGC00095012-01; NCGC00095012-02; NCGC00164283-07; NCGC00254756-01; AS-11739; BP-30064; N-Hexadecyl-N,N-trimethylammonium bromide; Q564; WLN: 16K1&1&1 &Q &E; Hexadecyltrimethylammonium bromide, >=98%; 1-Hexadecanaminium,N,N-trimethyl-, bromide; DB-050366; FT-0652251; FT-0655369; H0081; SW220088-1; A16438; D03454; Hexadecyltrimethylammonium bromide, AR, >=99%; A831309; Q416077; Hexadecyltrimethylammonium bromide, >=96.0% (AT); Hexadecyltrimethylammonium bromide, BioXtra, >=99%; Q-200821; SR-05000001830-1; SR-05000001830-3; Hexadecyltrimethylammonium bromide, analytical standard; UNII-24QSH2NL8N component LZZYPRNAOMGNLH-UHFFFAOYSA-M; Hexadecyltrimethylammonium bromide, BioUltra, >=99.0% (AT); Hexadecyltrimethylammonium bromide, for ion pair chromatography; Hexadecyltrimethylammonium bromide, for molecular biology, >=99%; Hexadecyltrimethylammonium bromide, Vetec(TM) reagent grade, 96%; Cetrimonium bromide, United States Pharmacopeia (USP) Reference Standard; Hexadecyltrimethylammonium bromide, BioUltra, for molecular biology, >=99.0% (AT); Hexadecyltrimethylammonium bromide, puriss. p.a., matrix substance for MALDI-MS; Hexadecyltrimethylammonium bromide, PharmaGrade, USP/NF, Manufactured under appropriate controls for pharma or biopharmaceutical production."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32927	.	.	.	.	364.4	C19H42BrN	0	181	.	21	0	1	15	"InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]	LZZYPRNAOMGNLH-UHFFFAOYSA-M
DG50196	Tributyrin	6050	"TRIBUTYRIN; 60-01-5; Glyceryl tributyrate; Glycerol tributyrate; Propane-1,2,3-triyl tributyrate; Butyrin; Tributin; Butyryl triglyceride; Glyceroltributyrin; Tri-n-butyrin; Tributyrinine; Tributyroin; Butanoic acid, 1,2,3-propanetriyl ester; Glycerin tributyrate; Tributyryl glyceride; Glycerol tributanoate; Butyrin, tri-; Tributyrl glyceride; 2,3-di(butanoyloxy)propyl butanoate; 1,2,3-Tributyrylglycerol; 1,2,3-Propanetriyl tributanoate; Butyric acid triester with glycerin; FEMA No. 2223; NSC 661583; UNII-S05LZ624MF; CHEBI:35020; 1,2,3-Propanetriol, tributyrate; 2,3-Bis(butyryloxy)propyl butyrate; NSC-661583; S05LZ624MF; NSC661583; HSDB 878; EINECS 200-451-5; BRN 1714746; Kodaflex; tri-butyrin; AI3-01776; MFCD00009392; 1,3-Tributyrylglycerol; Tributyrin, 97%, FG; 1,2,3-tributanoylglycerol; SCHEMBL23825; 4-02-00-00799 (Beilstein Handbook Reference); Glyceryl tributyrate, >=99%; CHEMBL118722; DTXSID4052267; FEMA 2223; s163; DTXSID801017915; propane-1,2,3-triyl tributanoate; ZINC3860906; BDBM50212744; 2,3-Bis(butyryloxy)propyl butyrate #; AKOS015903304; CS-W012120; DB12709; HY-W011404; Glyceryl tributyrate, analytical standard; LS-14448; NCI60_021427; S6263; T0364; Glyceryl tributyrate, puriss., >=98.5% (GC); Glyceryl tributyrate, technical, >=94.0% (GC); Q4116129"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	661583	.	.	.	.	302.36	C15H26O6	78.9	304	2.4	21	0	6	14	"InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3"	CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	UYXTWWCETRIEDR-UHFFFAOYSA-N
DG50197	"2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid"	6181	"66-02-4; 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid; 3,5-Diiodo-DL-tyrosine; Iodogorgoic acid; Jodgorgosaeure; Apothyrin; Flaianina; Agontan; Cemiod; Dityrin; Itir; Iodogorgonic acid; Gorgoic acid, diiodo-; Gorgonic acid, diiodo-; Jodgorgon; 3,5-Diiodo-4-hydroxyphenylalanine; 2-Amino-3-(4-hydroxy-3,5-diiodophenyl)-propanoic acid; H-3,5-Diiodo-Tyr-OH; DL-3,5-Diiodotyrosine; NSC4143; C9H9I2NO3; 620-59-7; NSC 208959; L-Tyrosine, 3,5-diiodo-; Diidotyrosine; DIT (VAN); DIT; 3,5-Diiodotyrosine (VAN); 3,5-Diiod-L-tyrosin; EINECS 200-620-3; BRN 2218690; beta-(4-Hydroxy-3,5-diiodophenyl)alanine; NSC-97936; NSC208959; Acid, iodogorgoic; 3,5-Dijodtyrosin; EINECS 210-643-0; Tyrosine,5-diiodo-; beta-(3,5-Diiod-4-hydroxyphenyl)alanin; DL-Tyrosine,5-diiodo-; DIIODO-L-TRYOSINE; (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin; Tyrosine,5-diiodo-, L-; TRYOSINE,5-DIIODO-; Tyrosine,5-diiodo-, DL-; CBDivE_002920; H-Tyr(3,5-DiI)-OH; 2-14-00-00384 (Beilstein Handbook Reference); SCHEMBL147578; (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin [IUPAC]; 2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid; CHEMBL2003070; L-2-Amino-3-(3,5-diiod-4-hydroxyphenyl)propionsaeure; DTXSID50110067; diiodotyrosine (no stereo defined); HMS3370A04; (2S)-2-ammonio-3-(3,5-diiodo-4-oxidophenyl)propanoate; ACT02979; NSC-4143; NSC97936; 3,5-diiodo-L-Tyrosinic acid(1-); MFCD00063076; NSC 97936; AKOS015998813; MCULE-1965639885; DS-18174; NCI60_001756; .beta.-(4-Hydroxy-3,5-diiodophenyl)alanine; CS-0045361; FT-0614629; FT-0667180; W7710; A913890; Q28091398; F3284-0277; (2S)-2-ammonio-3-(3,5-diiodo-4-Oxidophenyl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208959	.	.	.	.	432.98	C9H9I2NO3	83.6	227	-0.5	15	3	4	3	"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)"	C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N	NYPYHUZRZVSYKL-UHFFFAOYSA-N
DG50198	Strophanthidin	6185	"strophanthidin; Strophanthidine; Convallatoxigenin; Corchsularin; 66-28-4; k-Strophanthidin; Corchorgenin; Corchoside A aglycon; Erysimupicrone; Corchorin; Strophanthidin K; Erysimupikron; k-Strophanthidine; Apocynamarin; 5beta-Hydroxy-19-oxodigitoxigenin; NSC-86078; 3beta,5,14-Trihydroxy-19-oxo-5beta-card-20(22)-enolide; UNII-W5O632DN33; CHEBI:38178; NSC86078; Antibiotic XS-89; MLS002153969; (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; W5O632DN33; MFCD00046266; Cymarigenin; XS-89; Strophantidine; Apocymarin; Cyanotoxin; Cynotoxin; 3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 5-beta-Hydroxy-19-oxodigitoxigenin; EINECS 200-626-6; NSC 86078; BRN 0097859; Cymarigenen; Strophantidin; 5.beta.-Hydroxy-19-oxodigitoxigenin; Prestwick_117; kappa-Strophanthidine; Corchoside A, aglycon; 3-beta,5,14-Trioxy-19-oxo-carden-(20:22)-olid [German]; 3-beta,5,14-Trioxy-19-oxo-digen-(20:22)-olid [German]; (3beta,5beta)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 19-Oxo-cardogenen-(20:22)-triol-(3-beta,5,14) [German]; 3-beta,5,14-Trihydroxy-19-oxo-5-beta-card-20(22)-enolide; Prestwick0_000710; Prestwick1_000710; Prestwick2_000710; Prestwick3_000710; Card-20(22)-enolide, 3,5,14-trihydroxy-19-oxo-, (3beta,5beta)-; BSPBio_000899; 5-18-05-00126 (Beilstein Handbook Reference); SCHEMBL240582; 3-beta,5,14-Trioxy-19-oxo-carden-(20:22)-olid; 3-beta,5,14-Trioxy-19-oxo-digen-(20:22)-olid; SPBio_002820; BPBio1_000989; CHEMBL111743; 19-OXO-CARDOGENEN-(20:22)-TRIOL-(3-beta,5,14); DTXSID00903966; HMS1570M21; HMS2097M21; HMS2233O14; ZINC3875425; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-; BDBM50255120; LMST01120005; AKOS024280415; NCGC00142399-02; (1S,2S,5S,7S,11S,10R,14R,15R)-5,7,11-trihydroxy-15-methyl-14-(5-oxo(3-2-hydrof uryl))tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecane-2-carbaldehyde; NCI60_041903; SMR001233308; HY-114252; CS-0080731; C19988; SR-01000838893; Q1718068; SR-01000838893-2; BRD-K84595254-001-03-0; BRD-K84595254-001-10-5; 3beta,5,14-Trihydroxy-19-oxo-5beta,20(22)-cardenolide; 5.beta.-Card-20(22)-enolide,5,14-trihydroxy-19-oxo-; UNII-O6I3I9267L component ODJLBQGVINUMMR-HZXDTFASSA-N; WLN: L E5 B666TJ AVH E1 IQ MQ OQ F- DT5OV EHJ; 3.beta.,14-Trihydroxy-19-oxo-5.beta.-card-20(22)-enolide; (3.beta.,5.beta.)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide; 5beta-Card-20(22)-enolide, 3beta,5,14-trihydroxy-19-oxo- (8CI); Card-20(22)-enolide,5,14-trihydroxy-19-oxo-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3,5,14-trihydroxy-19-oxo-, (3-beta,5-beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86078	.	.	.	.	404.5	C23H32O6	104	777	0.6	29	3	6	2	"InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O	ODJLBQGVINUMMR-HZXDTFASSA-N
DG50199	Uracil mustard	6194	"URACIL MUSTARD; Uramustine; 66-75-1; Desmethyldopan; Aminouracil mustard; Demethyldopan; Uramustin; Chlorethaminacil; Uracil nitrogen mustard; Uracilmostaza; Nordopan; Uracillost; 5-Aminouracil mustard; 5-Bis(2-chloroethyl)aminouracil; 5-N,N-Bis(2-chloroethyl)aminouracil; 5-(Di-2-chloroethyl)aminouracil; 5-[Bis(2-chloroethyl)amino]uracil; U-8344; ENT 50439; NSC-34462; CB-4835; RCRA waste number U237; NCI-C04820; SK-19849; 2,6-Dihydroxy-5-bis[2-chloroethyl]aminopyrimidine; UNII-W7KQ46GJ8U; 5-(Bis(2-chloroethyl)amino)uracil; 5-[Di(beta-chloroethyl)amino]uracil; Uramustine (INN); U 8344; 5-(Bis(2-chlorethyl)amino)-2,4(1H,3H)pyrimidinedione; 5-(Bis(2-chloroethyl)amino)-2,4(1H,3H)pyrimidinedione; 5-[bis(2-chloroethyl)amino]pyrimidine-2,4-diol; 2,6-Dihydroxy-5-bis(2-chloroethyl)aminopyrimidine; Uracil, 5-(bis(2-chloroethyl)amino)-; W7KQ46GJ8U; 5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione; CHEBI:9884; 2,4(1H,3H)-Pyrimidinedione, 5-(bis(2-chloroethyl)amino)-; 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-; 5-[Di(2-chloroethyl)amino]uracil; Uramustine [INN]; 5-[Di(.beta.-chloroethyl)amino]uracil; Uracil, 5-[bis(2-chloroethyl)amino]-; 5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione; NCGC00160575-01; Uramustinum; Uramustina; Uracil lost; Uracil lost [German]; Uramustinum [INN-Latin]; Uramustina [INN-Spanish]; 5-(Bis(2-chloroethyl)amino)pyrimidine-2,4(1H,3H)-dione; 5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione; 5-(Di(2-chloroethyl)amino)uracil; 5-(Di-(beta-chloroethyl)amino)uracil; CCRIS 618; Uracil mustard (TN); HSDB 3261; Uracil mustard (USAN); EINECS 200-631-3; NSC 34462; RCRA waste no. U237; Uracil mustard [USAN:USP]; uracil-mustard; AI3-50439; DSSTox_CID_6270; SCHEMBL4091; CHEMBL1488; DSSTox_RID_78084; DSSTox_GSID_26270; MLS003899236; WLN: T6MVMVJ EN2G2G; GTPL7621; ZINC2235; DTXSID8026270; SCHEMBL19915183; BCP27982; NSC34462; Tox21_111911; MFCD00233542; AKOS015850649; AKOS024332500; CS-5184; DB00791; MCULE-1273389092; CAS-66-75-1; Uracil, 5-[bis(2-chloroethyl)-amino]-; HY-13544; NCI60_003061; SMR002543516; DB-005369; FT-0602268; 5-(BIS-(2-CHLOROETHYL)-AMINO)-URACIL; D06265; AB01273928-01; 5-[Bis(2-chlorethyl)amino]-2,3H)pyrimidinedione; A835541; 2,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-; 2,6-Dihydroxy-5-[bis(2-chloroethyl)amino]pyrimidine; Q15211075; URACIL  MUSTARD  (500 MG)  (FOR  U.S.  SALE ONLY); 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34462	.	.	.	.	252.09	C8H11Cl2N3O2	61.4	288	0.5	15	2	3	5	"InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)"	C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl	IDPUKCWIGUEADI-UHFFFAOYSA-N
DG50200	Fluocinolone acetonide	6215	"FLUOCINOLONE ACETONIDE; 67-73-2; Synalar; Flucinar; Synandone; Fluonid; Jellin; Synamol; Synemol; Coriphate; Fluovitif; Flupollon; Percutina; Synandrone; Dermalar; Localyn; Omniderm; Radiocin; Sinalar; Synotic; Tefunote; Synsac; Fluotrex; Retisert; Synalar-HP; Fluocet; Localyn Syntex; Derma-smoothe/fs; Cortiplastol; Prodermin; Flucort; Fluocinolone 16,17-acetonide; Iluvien; Capex; 6alpha-Fluorotriamcinolone acetonide; Fluocinoloni acetonidum; RS-1401 AT; Acetonide de fluocinolone; C24H30F2O6; component of Neo-Synalar; Fluocinolone (Acetonide); Flucort-N; UNII-0CD5FD6S2M; Dermatin (steroid); 6alpha,9alpha-Difluoro-16alpha-hydroxyprednisolone 16,17-acetonide; MFCD00010525; NSC-92339; 0CD5FD6S2M; MLS000028545; Fluocinolonacetonidum; CHEBI:31623; Fluocinolone acetonide (Flucort-N); Fs Shampoo; NSC92339; SMR000058329; Fluocinolone acetonide [DCIT]; DSSTox_CID_20674; DSSTox_RID_79533; DSSTox_GSID_40674; Fluocinoloni acetonidum [INN-Latin]; Acetonida de fluocinolona; RS 1401AT; 6.alpha.-Fluorotriamcinolone acetonide; CAS-67-73-2; Retisert (TN); Fluocet (TN); Synalar (TN); Acetonide de fluocinolone [INN-French]; Acetonida de fluocinolona [INN-Spanish]; CCRIS 3250; HSDB 3083; 6.Alpha.,9-Difluoro; EINECS 200-668-5; NSC 92339; Dermatin; Oto-synalar; Fluzon [Steroid]; NCGC00021301-04; (6alpha,9alpha,11beta,16beta)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione; 6-alpha,9-alpha-Difluoro-16-alpha-hydroxyprednisolone 16,17-acetonide; Fluocinoloneacetonide; Flucinolone acetonide; fluocinolone-acetonide; 6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone; Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,11beta,16alpha)-; Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone; Fluocinolide (acetate); Fluocinolone acetonide intravitreal implant; acetonido de fluocinolona; 6.alpha.,17-acetonide; Opera_ID_1295; F0657; Fluocinolone acetonide [USAN:USP:INN:JAN]; CHEMBL989; SCHEMBL4795; Fluocinolone acetonide - BP; 6alpha,9alpha-Difluoro-11beta,16alpha,17alpha,21-tetrahydroxy-1,4-pregnadiene-3,20-dione 16,17-Acetonide; MLS001076276; GTPL7077; DTXSID0040674; HMS2090I14; HMS2230D13; HMS3259G12; HMS3715J11; HY-B0415; ZINC3977981; Tox21_110869; Tox21_302364; AC-429; AC1069; s2470; AKOS015963144; Tox21_110869_1; ACN-043362; CCG-221165; DB00591; NC00562; Fluocinolone acetonide (JP17/USP/INN); NCGC00021301-06; NCGC00255654-01; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; 4b,12-Difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one; AS-13690; BF176452; NCI60_042042; Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone (8CI); Fluocinolone acetonide, analytical standard; D01825; J10113; AB00383017-10; AB00383017_11; 010F525; A853087; Q924467; SR-01000000109; SR-01000000109-2; W-104704; BRD-K94353609-001-21-6; difluoro-hydroxy-(2-hydroxyacetyl)-tetramethyl-[ ]one; 6.alpha., 9.alpha.-Difluoro-16.alpha.-hydroxyprednisolone 16,17-acetonide; Fluocinolone acetonide, European Pharmacopoeia (EP) Reference Standard; Fluocinolone acetonide, United States Pharmacopeia (USP) Reference Standard; Fluocinolone acetonide for system suitability, European Pharmacopoeia (EP) Reference Standard; Fluocinolone Acetonide, Pharmaceutical Secondary Standard; Certified Reference Material; WLN: T F5 E5 B666 GO IO RV AHTTTT&J A BF CQ E FVIQ H H OF -A&BHO -B&ACEF; (1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one; (2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a,10,10-tetramethyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-one; (6a,11b,16a)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione; (6alpha,11beta,16alpha)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione; 6.alpha.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione, cyclic 16,17-acetal with acetone; Fluocinolone acetonide for peak identification, European Pharmacopoeia (EP) Reference Standard; Pregna-1,20-dione, 6,9-difluoro-11,12-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92339	.	.	.	.	452.5	C24H30F2O6	93.1	960	2.5	32	2	8	2	"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O	FEBLZLNTKCEFIT-VSXGLTOVSA-N
DG50201	Benziodarone	6237	"BENZIODARONE; 68-90-6; Amplivix; Dilafurane; Cardivix; Dila-Vasal; Algocor; Corofam; Coronal-crinos; Retrangor; Benziodaron; Carofam; Dilacoron; L 2329; 2329 Labaz; NSC 82133; UNII-75CL65GTYR; 2-Ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; 75CL65GTYR; 2-Ethyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)-cumarone; Benzofuran, 3-(3,5-diiodo-4-hydroxybenzoyl)-2-ethyl-; 3,5-Diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl ketone; CHEMBL232201; Corofam;Dilacoron;NSC 82133; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron; NSC-82133; NCGC00160408-01; Plexocardio; Flanicone; Ketone, 3,5-diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl; Uricor; (2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone; DSSTox_CID_26134; DSSTox_RID_81367; DSSTox_GSID_46134; Benziodarona; Benziodaronum; Benzoiodarone; Benziodaronum [INN-Latin]; CAS-68-90-6; Benziodarona [INN-Spanish]; EINECS 200-695-2; BRN 1257683; Amplivix (TN); Benziodarone [INN:BAN:DCF:JAN]; Ketone,5-diiodophenyl; Aethyl-2-(3',5'-dijod-4'-oxybenzoyl)-3 cumaron [German]; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-; Benziodarone (JAN/INN); Methanone,5-diiodophenyl)-; SCHEMBL308541; DTXSID1046134; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl; CHEBI:135814; NSC82133; ZINC3875456; Tox21_111793; (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone; BDBM50209206; MFCD00868246; AKOS015994715; Tox21_111793_1; DB13277; KS-1133; NCGC00160408-02; NCGC00160408-03; NCGC00160408-06; FT-0662545; D01833; L-2329; T72830; Q4890775; 2-Ethylbenzofuranyl 4-hydroxy-3,5-diiodophenyl ketone; Ketone, 2-ethyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl (8CI); (2-Ethyl-1-benzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone #; Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82133	.	.	.	.	518.08	C17H12I2O3	50.4	405	5.6	22	1	3	3	"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3"	CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I	CZCHIEJNWPNBDE-UHFFFAOYSA-N
DG50203	Terpin	6651	"TERPIN; p-Menthane-1,8-diol; trans-Terpin; 80-53-5; 565-48-0; 1,8-Terpin; cis-p-Menthan-1,8-diol; 4-p-Menthan-1,8-diol; 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol; NSC 403856; cis-1,8-p-Menthanediol; trans-p-Menthan-1,8-diol; 565-50-4; trans-p-Menthane-1,8-diol; UNII-4HW1S44T5G; UNII-MPF495B08R; cis-4-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol; 4HW1S44T5G; MPF495B08R; Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl-; 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol; NSC-403856; NCGC00159414-02; 4-(2-Hydroxy-2-propanyl)-1-methylcyclohexanol; Dipenteneglycol; Terpene; Terpin, trans-; Terpin (VAN); Terpin [BAN]; trans-1,8-Terpin; NSC-760418; Terpin trans-form [MI]; trans-1,8-p-Menthanediol; Terpinhydrat; cis-Terpin; EINECS 201-288-2; EINECS 209-279-5; p-Mentha-1,8-diol; DSSTox_CID_3643; cis-p-Menthane-1,8-diol; EC 201-288-2; DSSTox_RID_77125; DSSTox_GSID_23643; SCHEMBL19192; 4-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol; SCHEMBL5377815; SCHEMBL9536260; ZINC2137; CHEMBL1414114; CHEMBL1513871; CHEMBL1651998; Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-; DTXSID7023643; CHEBI:134806; CHEBI:179539; Pharmakon1600-01506188; Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, trans-; HY-N4324; Tox21_111646; 5763AF; BBL034665; NSC403856; NSC760418; STL356461; AKOS022099020; AKOS024348939; AKOS037514988; ZINC100020220; ZINC100027745; MCULE-8009850852; CAS-80-53-5; Cyclohexanemethanol,.alpha.,4-trimethyl-; NCGC00159414-01; NCGC00159414-03; NCGC00159414-04; NCGC00159414-05; NCGC00159414-06; NCGC00166136-01; AS-83272; NCI60_003817; trans-Terpin, analytical standard, for GC; CS-0032749; T2344; AB01563167_01; 4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol; cis-4-Hydroxy-; A,; A,4-trimethylcyclohexanemethanol; W-107311; 4-(1-Hydroxy-1-methylethyl)-1-methylcyclohexanol #; Q27259605; Q27284154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403856	.	.	.	.	172.26	C10H20O2	40.5	155	1.2	12	2	2	1	"InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3"	CC1(CCC(CC1)C(C)(C)O)O	RBNWAMSGVWEHFP-UHFFFAOYSA-N
DG50204	"1,5-Diphenoxyanthraquinone"	6699	"1,5-Diphenoxyanthraquinone; 82-21-3; 1,5-diphenoxyanthracene-9,10-dione; 1,5-Difenoxyanthrachinon; 9,10-Anthracenedione, 1,5-diphenoxy-; MLS000738165; 1,5-Difenoxyanthrachinon [Czech]; EINECS 201-404-1; NSC 37627; BRN 2485288; ANTHRAQUINONE, 1,5-DIPHENOXY-; 9, 1,5-diphenoxy-; Anthraquinone,5-diphenoxy-; 3-08-00-03789 (Beilstein Handbook Reference); CHEMBL4296992; SCHEMBL10927218; NSC37627; ZINC3875548; MFCD00035826; NSC-37627; AKOS002347543; MCULE-6308605752; WLN: L C666 BV IVJ DOR& KOR; SMR000393924; DB-056582; FT-0631372; W-109293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37627	.	.	.	.	392.4	C26H16O4	52.6	565	5.9	30	0	4	4	InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H	C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5	GSNYYYXHQZHEFP-UHFFFAOYSA-N
DG50207	"9,10-Phenanthrenequinone"	6763	"Phenanthrene-9,10-dione; 9,10-Phenanthrenequinone; 84-11-7; Phenanthrenequinone; 9,10-PHENANTHRENEDIONE; 9,10-Phenanthraquinone; Phenanthraquinone; 9,10-Phenanthroquinone; UNII-42L7BZ8H74; Phenanthrene, 9,10-dihydro-9,10-dioxo-; MFCD00001163; phenanthrene-9,10-quinone; SMR000150826; CHEMBL51931; MLS000571180; MLS000881132; CHEBI:37454; 42L7BZ8H74; 9,10-dihydrophenanthrene-9,10-dione; WLN: L B666 HVVJ; Phenanthrene,10-dihydro-9,10-dioxo-; 9-10 Phenanthrene quinone; CCRIS 7615; HSDB 4489; SR-01000512656; EINECS 201-515-5; NSC 10446; BRN 0608838; phenanthrenchinon; AI3-23739; Phenanthroquinone; Phenanthrene chinone; 9,10-phenanthrquinone; Opera_ID_1159; Phenanthrene-9,10 dione; cid_6763; REGID_for_CID_6763; SCHEMBL43050; 4-07-00-02565 (Beilstein Handbook Reference); DTXSID3058901; 3-Pyrrolidin-2-yl-propionicacid; BDBM22857; NSC7389; 1,2-Dione-Based Compound, 14; 9,10-Phenanthrenequinone, 95%; HMS2231F24; KUC103886N; AMY37107; NSC-7389; NSC10446; ZINC1529614; 9,10-Phenanthrenequinone, >=99%; CX1139; KSC-1-127; NSC-10446; STK793149; AKOS000120609; CS-W015223; MCULE-9308842057; SB67051; NCGC00246089-01; AS-14257; BP-13416; K501; DB-005403; FT-0621602; P0080; P1136; 84P117; C03243; A840718; AF-936/31262009; Q-201551; SR-01000512656-1; SR-01000512656-4; W-104124; Q25103737; Z56943754; 9,10-Phenanthrenequinone, Vetec(TM) reagent grade, 94%; 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-[2-(2-thienyl)ethyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7389	.	.	.	.	208.21	C14H8O2	34.1	289	2.5	16	0	2	0	InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H	C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O	YYVYAPXYZVYDHN-UHFFFAOYSA-N
DG50208	1-(2-Pyridylazo)-2-naphthol	6825	"1-(2-Pyridylazo)-2-naphthol; 85-85-8; 1-(Pyridin-2-yldiazenyl)naphthalen-2-ol; 2-Naphthalenol, 1-(2-pyridinylazo)-; PAN (indicator); 1-(2-Pyridylazo)-2-hydroxynaphthalene; UNII-095B53Y3XV; 2-Hydroxy-1-(2-pyridylazo)naphthalene; 2-Naphthol, 1-(2-pyridylazo)-; MFCD00004071; 1-(pyridin-2-yldiazenyl)-2-naphthol; MLS000540127; 095B53Y3XV; SMR000162402; 2-Naphthalenol, 1-(2-(2-pyridinyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2-pyridinyl)diazenyl]-; PAN (VAN); 1-(Pyridin-2-azo)-2-naphthol; NSC 5332; EINECS 201-637-9; 1.2-Pyridylazo-2-naphthol; SCHEMBL272188; (1Z)-1-(pyridin-2-ylhydrazinylidene)naphthalen-2-one; SCHEMBL4947540; CHEMBL1400298; DTXSID5058933; SCHEMBL11882710; SCHEMBL11882717; BDBM48080; cid_5359275; RAXUMGMWXZYADR-SDXDJHTJSA-; NSC5332; HMS2310J23; NSC-5332; CCG-49495; STL453606; AKOS004901457; AKOS028109811; ZINC100021845; ZINC100030401; ZINC106121651; ZINC242548449; MCULE-5810924848; NCGC00247231-01; AS-59143; 2-Naphthol, 1-(2-pyridylazo)- (8CI); DB-018463; 1-[(E)-2-Pyridinyldiazenyl]-2-naphthol #; CS-0010135; X6820; (1E)-1-(2-pyridylhydrazono)naphthalen-2-one; (1Z)-1-(2-pyridylhydrazono)naphthalen-2-one; (E)-1-(pyridin-2-yldiazenyl)naphthalen-2-ol; 1-(2-Pyridylazo)-2-naphthol, indicator grade; 1-[(E)-pyridin-2-yldiazenyl]naphthalen-2-ol; D88559; A841465; AN-652/40913915; Q3596751; SR-01000638946-1; W-104075; (1Z)-1-(2-pyridinylhydrazinylidene)-2-naphthalenone; 1-[(1E)-2-(pyridin-2-yl)diazen-1-yl]naphthalen-2-ol; 1-(2-Pyridylazo)-2-naphthol, for spectrophotometric det. of metal ions, >=97.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5332	.	.	.	.	249.27	C15H11N3O	57.8	321	3.9	19	1	4	2	"InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=N3)O	LLYOXZQVOKALCD-UHFFFAOYSA-N
DG50209	"3,6-Diamino-10-methylacridinium chloride"	6842	"3,6-DIAMINO-10-METHYLACRIDINIUM CHLORIDE; 86-40-8; Chromoflavine; Flavosan; Gonacrine; Gonocrin; Panflavin; Trypaflavin; Burnol; Avlon; ACRIFLAVINIUM HYDROCHLORIDE; Neutroflavine; Xanthacridine; Acriflavon; Flavine; C.I. 46000; UNII-1TW3Q60E36; Acriflavinium (chloride); 10-methylacridin-10-ium-3,6-diamine;chloride; 3,6-diamino-10-methylacridin-10-ium chloride; CHEBI:383703; 1TW3Q60E36; Acridinium, 3,6-diamino-10-methyl-, chloride (1:1); Acriflavine (component of); NSC2755; Acridinium,6-diamino-10-methyl-, chloride; CCRIS 2116; WLN: T C666 BKJ B1 EZ MZ &Q &G; SR-05000002063; NSC 2755; EINECS 201-668-8; Acridinium, 3,6-diamino-10-methyl-, chloride; SCHEMBL77746; MLS002207308; SPECTRUM1500618; CHEMBL354349; HMS500M06; DTXSID60273975; HMS1921K15; HMS2092E08; Pharmakon1600-01500618; NSC-2755; NSC47700; CCG-39873; NSC-47700; NSC757387; AKOS023249367; DB13326; NSC-757387; NCGC00094813-02; 8018-07-3; SMR001306813; FT-0621869; Q225854; SR-05000002063-1; SR-05000002063-2; UNII-1T3A50395T component KKAJSJJFBSOMGS-UHFFFAOYSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757387	.	.	.	.	259.73	C14H14ClN3	55.9	255	.	18	2	3	0	"InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H"	C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]	KKAJSJJFBSOMGS-UHFFFAOYSA-N
DG50210	Thiolutin	6870	"Thiolutin; 87-11-6; Acetopyrrothin; Acetopyrrothine; UNII-02C005Q20B; NSC3927; N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)acetamide; Acetamide,N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-; 02C005Q20B; N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide; 6-Acetamido-4-methyl-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one; N-{4-methyl-5-oxo-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-6-yl}acetamide; N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)acetamide; N-(4-methyl-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide; 6-Acetamido-4-methyl-1,2-dithiolo[4,3-b]pyrrol-5(4H)-one; N-(4-methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide; NSC 3927; BRN 0209485; Farcinicin; Farcinicine; Propiopyvothine; N-Acetylpyrrothine; 3-Acetamido-5-methylpyrrolin-4-one(4,3-d)-1,2-dithiole; 6-(Acetylamino)-4-methyl-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one; 1,2-DITHIOLO(4.3-b)PYRROL-5(4H)-ONE, 6-ACETAMIDO-4-METHYL-; 1, 6-acetamido-4-methyl-; CHEMBL507026; SCHEMBL1718756; DTXSID0040624; CHEBI:156450; BCP17046; HY-N6712; NSC-3927; MFCD07370147; AKOS024456672; WLN: T55 BNV FSSJ B1 DMV1; NCGC00162456-01; AS-72926; NCI60_003708; Farcinicin; Propiopyvothine; Acetopyrrothine; CS-0029085; FT-0675180; 6-Acetamido-4-methyl-1,3-b]pyrrol-5[4H]-one; N-(4,2-dithiolo[4,3-b]pyrrol-6-yl)acetamide; 3-Acetamido-5-methylpyrrolin-4-one[4,2-dithiole; Q7784674; W-203989; 6-(Acetylamino)-4-methyl-1,3-b]pyrrol-5[4H]-one; N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)acetamide; N-(4,5-Dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-B]Pyrrol-6-yl); Acetamide,5-dihydro-4-methyl-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-; Acetamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-; Acetamide, N-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)- (8CI)(9CI); N-(4-methyl-3-oxo-7,8-dithia-4-azabicyclo[3.3.0]octa-1,5-dien-2-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3927	.	.	.	.	228.3	C8H8N2O2S2	100	387	-0.6	14	1	4	1	"InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)"	CC(=O)NC1=C2C(=CSS2)N(C1=O)C	MHMRAFONCSQAIA-UHFFFAOYSA-N
DG50211	"Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester"	6967	"89-37-2; USAF SN-31; 2,4-Dinitrophenyl dimethyldithiocarbamate; Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester; 2,4-Dinitrophenyl-dimethyl-dithiocarbamate; UNII-YSU5XGX97F; YSU5XGX97F; Carbamodithioic acid, N,N-dimethyl-, 2,4-dinitrophenyl ester; EINECS 201-902-9; NSC 11461; BRN 2475355; AI3-28653; (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate; Dimethyldithiocarbamic acid, 2,4-dinitrophenyl ester; DTXSID0058986; SCHEMBL11760073; WLN: WNR CNW DSYUS&N1&1; CARBAMIC ACID, DIMETHYLDITHIO-, 2,4-DINITROPHENYL ESTER; NSC11461; ZINC1718308; NSC-11461; AKOS024383899; MCULE-5566269622; 2,4-Dinitrophenyl-dimethyldithio-carbamate; DS-003608; Carbamodithioic acid, 2,4-dinitrophenyl ester; Dimethyldithiocarbamic acid 2,4-dinitrophenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11461	.	.	.	.	287.3	C9H9N3O4S2	152	353	2.5	18	0	6	2	"InChI=1S/C9H9N3O4S2/c1-10(2)9(17)18-8-4-3-6(11(13)14)5-7(8)12(15)16/h3-5H,1-2H3"	CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]	AIWZJEMZVHJAQB-UHFFFAOYSA-N
DG50212	Tolonium chloride	7083	"Toluidine Blue; Toluidine Blue O; 92-31-9; TOLONIUM CHLORIDE; Basic Blue 17; Blutene chloride; Tolazul; C.I. Basic Blue 17; Gabilin; Menodin; Toluidine Blue OO; Klot; Toloni chloridum; Dimethyltoluthionine chloride; F Klot; Blutene; Toluidene Blue O Chloride; Toluidinblau; Schultz 1041; Schultz no. 1041; Tolonii chloridum; Cloruro de tolonio; Chlorure de tolonium; C.I. 52040; C.I. 925; Toluidine Blue (phenothiazine dye); UNII-15XUH0X66N; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride; 3-Amino-7-(dimethylamino)-2-(methylphenazathionium) chloride; TOLUIDINE BLUE  FOR MICROSCOPY; 15XUH0X66N; 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride; CHEBI:87647; NSC-11225; NSC-36758; (7-amino-8-methylphenothiazin-3-ylidene)-dimethylazanium;chloride; DSSTox_CID_28654; DSSTox_RID_82924; DSSTox_GSID_48728; Toluidinblau [German]; MLS000738130; Tolonium chloride [INN]; Modr Toluidinova; Modr Toluidinova [Czech]; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride (1:1); CAS-92-31-9; Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride (1:1), homopolymer; Modr Zasadita 17 [Czech]; 150905-12-7; Modr Zasadita 17; NSC11225; CCRIS 4933; Tolonii chloridum [INN-Latin]; Cloruro de tolonio [INN-Spanish]; Chlorure de tolonium [INN-French]; Dimethyltoluthionine chloride (VAN); NCGC00181775-01; EINECS 202-146-2; NSC 11225; ci 52040; Toluidine Blue 00; MFCD00011934; Phenazathionium, 3-amino-7-(dimethylamino)-2-methyl-, chloride; Toluidine Blue O, 80%; Toluidine Blue O, 85%; n-(7-amino-8-methyl-3h-phenothiazin-3-ylidene)-n-methylmethanaminium chloride; 3-Amino-7-dimethylamino-2-methylphenazathionium; C.I.BASIC BLUE 17; SCHEMBL122592; SCHEMBL338335; Toluidine Blue O, certificated; CHEMBL562639; CHEMBL1790006; DTXSID9048728; Toluidine Blue, phenothiazine dye; HMS1545F05; HMS2752P23; HMS3264B13; Pharmakon1600-01506191; Toluidine Blue O, Technical grade; HY-D0220; NSC36758; Toluidine Blue (C.I. 50240); Tox21_113159; NSC760421; AKOS015916405; AKOS024282653; Tox21_113159_1; CCG-213755; MCULE-6445743179; NSC-760421; NCGC00181775-02; CS-0010132; FT-0690009; FT-0724562; T0571; X6800; D92363; E79432; Q80868; T-3922; SR-01000760899; WLN: T C666 BN ISJ E1 FZ LN1&1 &G; SR-01000760899-2; Toluidine Blue O, certified by the Biological Stain Commission"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11225	.	.	.	.	305.8	C15H16ClN3S	66.7	512	.	20	1	4	0	"InChI=1S/C15H15N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8,16H,1-3H3;1H"	CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]	GEDVVYWLPUPJJZ-UHFFFAOYSA-N
DG50213	Lauryl isoquinolinium bromide	7132	"Lauryl isoquinolinium bromide; 2-Dodecylisoquinolinium bromide; 93-23-2; Isothan; Intexsan LQ75; Isothan Q-15; Isothan Q-75; Isothan Q-90; Laurylisoquinolinium bromide; Dodecyl isoquinolinium bromide; N-Laurylisoquinolinium bromide; n-Dodecylisoquinolinium bromide; ISOQUINOLINIUM, 2-DODECYL-, BROMIDE; UNII-09TM5K0O34; 2-dodecylisoquinolin-2-ium;bromide; Lauryl isoquinolinium bromide [USAN]; 09TM5K0O34; Isothan Q 15; NSC-20909; Isoquinolinium, 2-dodecyl-, bromide (1:1); Caswell No. 520; WLN: T66 CKJ C12 &E; Lauryl isoquinolinium bromide (USAN); 2-Laurylisoquinolinium bromide; EINECS 202-230-9; NSC 20909; EPA Pesticide Chemical Code 069130; Decelerine; SCHEMBL324418; SCHEMBL8943709; CHEMBL2107266; DTXSID5042087; NSC20909; MFCD00050336; NSC403730; NSC-403730; D04679; N11757; Q27236502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20909	.	.	.	.	378.4	C21H32BrN	3.9	263	.	23	0	1	11	"InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]	MSJLMQTXVKCUCD-UHFFFAOYSA-M
DG50214	4-(2-Naphthylamino)phenol	7141	"93-45-8; 4-(naphthalen-2-ylamino)phenol; 4-(2-NAPHTHYLAMINO)PHENOL; p-Oxinozon; Phenol, 4-(2-naphthalenylamino)-; p-(2-Naphthylamino)phenol; p-Hydroxyneozon; p-Oxyneozone; p-Hydroxyneozone; N-(4-Hydroxyphenyl)-2-naphthylamine; p-Hydroxyphenyl-2-naphthylamine; 2-(4'-Hydroxyphenylamino)-Naphthalene; 4-(2-Naphthalenylamino)phenol; Phenol, p-(2-naphthylamino)-; 4-(2-Naftylamino)fenol; NSC 15372; UNII-391R4KT1XJ; MLS002638427; 391R4KT1XJ; p-(.beta.-Naphthylamino)phenol; 4-Hydroxyphenyl-.beta.-naphthylamine; N-(p-Hydroxyphenyl)-2-naphthylamine; p-Hydroxyphenyl-.beta.-naphthylamine; N-(p-Hydroxyphenyl)-.beta.-naphthylamine; N-(4-HYDROXYPHENYL)-2-NAPHTHYLAMINE, 97; WLN: L66J CMR DQ; p-(beta-Naphthylamino)phenol; CCRIS 6073; p-Hydroxyphenyl-beta-naphthylamine; 4-(2-Naftylamino)fenol [Czech]; N-p-Hydroxyphenyl-2-naphthylamine; 4-Hydroxyphenyl-beta-naphthylamine; N-p-Hydroxyphenyl-beta-naphthylamine; EINECS 202-248-7; BRN 1642793; NSC21065; p-(2-naphthylamino) phenol; 3-13-00-01031 (Beilstein Handbook Reference); BIDD:GT0834; SCHEMBL593005; CHEMBL1699265; DTXSID8025701; Phenol, 4-(2-naphthylamino)-; ZINC18550; HMS3089F24; 4-[(naphthalen-2-yl)amino]phenol; NSC15372; NSC-15372; NSC-21065; AKOS021984255; LS40523; AS-61152; SMR001547908; DB-057402; CS-0330231; FT-0631466; A844599; W-109346; Q27890213"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15372	.	.	.	.	235.28	C16H13NO	32.299	260	4.2	18	2	2	2	"InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H"	C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O	RACMGQBQYYWANW-UHFFFAOYSA-N
DG50215	Sulfiram	7215	"SULFIRAM; Monosulfiram; Sulfirame; 95-05-6; Sulfiramum; Tetmosol; Tetrucid; Sanigal; Kutka; Tetmos; Sarcocide B; TTMS; Tetraethyl thiuram monosulfide; Thiuram monosulfide, tetraethyl-; Sulfide, bis(diethylthiocarbamoyl); UNII-1XHL4Q8P7Y; Bis(N,N-diethylthiocarbamoyl) sulfide; Carbamic anhydride, tetraethyltrithio-; Thiodicarbonic diamide ([(H2N)C(S)]2S), tetraethyl-; diethylcarbamothioyl N,N-diethylcarbamodithioate; NSC-36731; 1XHL4Q8P7Y; Sulfide, bis((diethylamino)thioxomethyl); Thiodicarbonic diamide (((H2N)C(S))2S), tetraethyl-; Sulfiramum [INN-Latin]; Tetraethylthiuram-monosulfid; Sulfide, bis[(diethylamino)thioxomethyl]; NSC 36731; Sulfiram [INN:BAN]; EINECS 202-387-3; Tetraethylthiuram monosulfide; BRN 1789060; AI3-00996; Carbamic acid, diethyldithio-, anhydrosulfide; Formamide, 1,1'-thiobis(N,N'-diethylthio-; Carbamodithioic acid, diethyl-, anhydrosulfide; Methanethioamide, 1,1'-thiobis(N,N-diethyl-; Sulfiram (INN); Tetmosol (TN); Thiodicarbonic diamide, tetraethyl-; 4-04-00-00397 (Beilstein Handbook Reference); SCHEMBL160769; Bis(diethylthiocarbamyl) sulfide; CHEMBL2004297; DTXSID5058222; CHEBI:135093; NSC36731; ZINC1669508; BDBM50555840; WLN: 2N2&YUS&SYUS&N2&2; Formamide,1'-thiobis[N,N-diethylthio-; Formamide,1'-thiobis(N,N'-diethylthio-; Methanethioamide,1'-thiobis[N,N-diethyl-; NCI60_003379; HY-121817; CS-0083488; FT-0674772; D08545; Q7636201; N,N-diethyl[(diethylcarbamothioyl)sulfanyl]carbothioamide; Thiodicarbonic diamide (((H2N)C(S))2S), tetraethyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36731	.	.	.	.	264.5	C10H20N2S3	96	189	3.1	15	0	3	6	"InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3"	CCN(CC)C(=S)SC(=S)N(CC)CC	CTPKSRZFJSJGML-UHFFFAOYSA-N
DG50216	Methylhydroquinone	7253	"Methylhydroquinone; 2-Methylhydroquinone; 95-71-6; 2-methylbenzene-1,4-diol; 2,5-Dihydroxytoluene; Toluhydroquinone; p-Toluhydroquinone; Toluquinol; p-Toluquinol; Tolylhydroquinone; p-Toluhydroquinol; 2,5-Toluenediol; 1,4-Benzenediol, 2-methyl-; Methyl-p-hydroquinone; 1,4-Dihydroxy-2-methylbenzene; 2-Methyl-1,4-benzenediol; METHYL HYDROQUINONE; Hydroquinone, methyl-; Hydroquinone, tolyl-; Pyrolin; 2-Methyl-1,4-hydroquinone; NSC 4962; UNII-332W51E0OC; MFCD00002345; NSC4962; 332W51E0OC; EINECS 202-443-7; BRN 2041489; 2-Methyl-benzene-1,4-diol; methylhydroquinon; 3-methyl-1,4-dihydroxybenzene; AI3-14932; 2-methylhydroquinol; methyl-p-hydroquinol; monomethylhydroquinone; 2-methyl hydroquinone; 2-Methyl-hydroquinone; monomethyl hydroquinone; 2-Methyl-p-hydroquinone; DSSTox_CID_876; Methylhydroquinone, 99%; 3-methyl-4-hydroxyphenol; 4-hydroxy-2-methylphenol; EC 202-443-7; 2-Methylbenzene-1,4-diole; DSSTox_RID_75840; Methylhydroquinone, >=99%; WLN: L6V DVJ X1; DSSTox_GSID_20876; SCHEMBL36349; 2,5-Dihydroxytoluene polymer; 2,5-DHTOP; 4-06-00-05866 (Beilstein Handbook Reference); 2-methyl-1,4-dihydroxybenzene; CHEMBL450917; WLN: L6V DVJ XR X1; 3-metyl-1,4-dihydroxy benzene; DTXSID4020876; 2-methyl-1,4-dihydroxy benzene; CHEBI:133842; BDBM176768; ZINC388086; NSC-4962; Tox21_200506; AKOS015856210; AC-4660; MCULE-7035325950; CAS-95-71-6; NCGC00248664-01; NCGC00258060-01; AS-15442; CAS# 95-71-6; P353; FT-0613052; M0342; Methylhydroquinone, purum, >=98.0% (HPLC); US9688816, 8; Q1925586; W-109360; F0001-2277; N-a-Fmoc-N- -allyloxycarbonyl-L-2,3-diaminopropionicacid; 7DV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4962	.	.	.	.	124.14	C7H8O2	40.5	92.9	1	9	2	2	0	"InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3"	CC1=C(C=CC(=C1)O)O	CNHDIAIOKMXOLK-UHFFFAOYSA-N
DG50217	Fenticlor	7329	"Fenticlor; 97-24-5; 2,2'-THIOBIS(4-CHLOROPHENOL); Bis(2-hydroxy-5-chlorophenyl) sulfide; Fentichlor; Novex; Phentichlorum; Meflorin; Ovitrol; Bis(2-hydroxy-5-chlorophenyl)sulfide; Oksid; Fenticloro; Fenticlorum; D 25-Antimykotikum; Phenol, 2,2'-thiobis[4-chloro-; S 7 (antimycotic); 2,2'-Dihydroxy-5,5'-dichlorodiphenyl sulfide; 2,2'-Dihydroxy-5,5'-dichlorophenyl sulfide; Ph 549; 5,5'-Dichloro-2,2'-dihydroxydiphenyl sulfide; CR 305; 2,2'-sulfanediylbis(4-chlorophenol); HL 1050; D 25; 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol; NSC55636; NSC 55636; 2,2'-Thiobis4-chlorophenol; UNII-D61659OVD0; CHEBI:556580; Phenol, 2,2'-thiobis(4-chloro-; NSC-4112; NSC-55636; S 7; MLS002415676; 2,2'-Thiobis[4-chlorophenol]; D61659OVD0; component of Banish; NCGC00013679-02; SMR000145265; DSSTox_CID_6137; DSSTox_RID_78031; 2,5'-dichlorophenyl sulfide; DSSTox_GSID_26137; 2,5'-dichlorodiphenyl sulfide; 4-chloro-2-[(5-chloro-2-hydroxyphenyl)thio]phenol; Phenol,2'-thiobis[4-chloro-; WLN: QR DG BSR BQ EG; 5,2'-dihydroxydiphenyl sulfide; Fentichlor; Fenticlor; HL 1050; Meflorin; NSC 4112; Caswell No. 851; Fenticlorum [INN-Latin]; Fenticloro [INN-Spanish]; CAS-97-24-5; Fenticlor [USAN:INN:BAN]; CCRIS 4731; S 7 (VAN); D 25 (VAN); NSC 4112; EINECS 202-568-7; EPA Pesticide Chemical Code 064209; BRN 2057140; AI3-08456; S-7; Fenticlor (USAN/INN); Epitope ID:131793; cid_7329; NCIStruc1_000386; NCIStruc2_000549; TimTec1_002292; 4-chloro-2-(5-chloro-2-hydroxyphenylthio)phenol; Oprea1_024834; Oprea1_589846; SCHEMBL23276; 4-06-00-05645 (Beilstein Handbook Reference); CHEMBL473535; 4-chloro-2-(5-chloro-2-hydroxy-phenyl)sulfanyl-phenol; component of Banish (Salt/Mix); DTXSID4026137; ANUSOIHIIPAHJV-UHFFFAOYSA-; BDBM80984; NSC4112; HMS1540I04; KUC106499N; ZINC136146; 4,4'-dichloro-2,2'-thiodiphenol; ALBB-012859; NCI55636; Tox21_110031; Tox21_200961; BBL003411; CCG-37773; MFCD00031479; NCGC00013679; STK048543; AKOS000491331; Tox21_110031_1; Bis(5-chloro-2-hydroxyphenyl) Sulfide; KSC-19-058; MCULE-9101515986; bis-(2-hydroxy-5-chlorophenyl) sulfide; NCGC00013679-03; NCGC00013679-04; NCGC00013679-06; NCGC00091879-01; NCGC00091879-02; NCGC00258514-01; AS-13478; I412; NCI60_004363; DB-022656; B0850; FT-0683643; D04164; D88702; SR-01000878241; Q5443595; SR-01000878241-2; W-100113; 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)thio]phenol; BRD-K19439093-001-01-0; 4-chloranyl-2-(5-chloranyl-2-oxidanyl-phenyl)sulfanyl-phenol; N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-FLUORO-BENZENESULFONAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4112	.	.	.	.	287.2	C12H8Cl2O2S	65.8	231	4.5	17	2	3	2	"InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H"	C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O	ANUSOIHIIPAHJV-UHFFFAOYSA-N
DG50218	o-Aminoazotoluene	7340	"o-Aminoazotoluene; 97-56-3; Fast Garnet GBC Base; Solvent Yellow 3; C.I. Solvent Yellow 3; o-Aminoazotoluol; Toluazotoluidine; 2-AMINO-5-AZOTOLUENE; Fast Oil Yellow; Somalia Yellow R; Fast Yellow AT; Fat Yellow B; Oil Yellow C; Oil Yellow I; Oil Yellow AT; Hidaco Oil Yellow; Sudan Yellow RRA; Oil Yellow 2R; Waxakol Yellow NL; Aminoazotoluene; Organol Yellow 2T; Oil Yellow 21; ortho-Aminoazotoluene; OAAT; o-Amidoazotoluol; o-Aminoazotolueno; Oil Yellow 2681; 2-Aminoazotoluene; Benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-; o-Tolueneazo-o-toluidine; Tulabase Fast Garnet GB; O-AT; Brasilazina Oil Yellow R; Tulabase Fast Garnet GBC; 4-Amino-2',3-dimethylazobenzene; 4-(o-Tolylazo)-o-toluidine; o-Toluol-azo-o-toluidin; 5-(o-Tolylazo)-2-aminotoluene; o-Toluidine, 4-(o-tolylazo)-; 2',3-Dimethyl-4-aminoazobenzene; 4'-Amino-2,3'-dimethylazobenzene; Zlut rozpoustedlova 3; 4'-Amino-2:3'-azotoluene; C.I. 11160B; UNII-QHZ900P7ZA; C.I. 11160; Oil Yellow T; 2-methyl-4-[(2-methylphenyl)diazenyl]aniline; 4'-Amino-2,3'-azotoluene; o-Toluidine, 4-o-tolylazo-; o-Aato-amidoazotoluol; 2-Methyl-4-[(E)-(2-methylphenyl)diazenyl]aniline; NSC-1797; 2-Methyl-4-((o-tolyl)azo)aniline; EINECS 202-591-2; NSC-26821; Benzenamine, 2-methyl-4-((2-methylphenyl)azo)-; QHZ900P7ZA; MLS000738066; Oil Yellow; 2-Methyl-4-((2-methylphenyl)azo)benzenamine; CHEBI:82285; 4-Amino-3,2'-dimethylazobenzene; 2-Methyl-4-[(o-tolyl)azo]aniline; MFCD00007733; (E)-2-methyl-4-(o-tolyldiazenyl)aniline; DSSTox_CID_69; Aminoazotoluene(indicator); 2-methyl-4-[(2-methylphenyl)azo]benzenamine; Orthoaminoasotoluol; DSSTox_RID_75346; 4-o-Tolylazo-o-toluidine; DSSTox_GSID_20069; Orthoaminoasotoluene; 61550-68-3; Azoic diazo component 4, base; WLN: ZR B1 DNUNR B1; Benzenamine, 2-methyl-4-[2-(2-methylphenyl)diazenyl]-; CI Solvent Yellow 3; o-Amidoazotoluol [German]; Aminoazotoluene (indicator); CAS-97-56-3; CCRIS 25; o-Aminoazotolueno [Spanish]; AAT; SMR000393738; Zlut rozpoustedlova 3 [Czech]; 2-Methyl-4((2-methylphenyl)azo)benzenamine; 2-Methyl-4[(2-methylphenyl)azo]benzenamine; ortho-Tolueneazo-ortho-toluidine; HSDB 2639; o-Toluol-azo-o-toluidin [German]; o-Aminoazotoluene [MI]; NSC 1797; CI 11160B; o-Toluene-azo-o-toluidine; Benzenamine, 2-methyl-4-(2-(2-methylphenyl)diazenyl)-; BRN 0745567; CI 11160; o-Aminoazotoluene [WHO-DD]; ortho-Toluol-azo-ortho-toluidin [German]; AI3-52505; ortho-Toluol-azo-ortho-toluidin; 4-Aminoazotoluene; Orthoaminoazotoluene; 2,3'-Dimethyl-4'-aminoazobenzene; Echtgranat-GBC-base; 2-Methyl-4-((2-methylphenyl)diazenyl)amine; 4-16-00-00528 (Beilstein Handbook Reference); MLS002152915; CHEMBL83552; SCHEMBL411206; Fast Garnet GBC Base solution; Fast Garnet GBC base, 97%; Benzenamine, 2-methyl-4-((2-methylphenyl)azo)-, (E)-; CHEMBL1701225; DTXSID1020069; SCHEMBL13338328; 4-amino-2',3-dimethylazobenzol; NSC1797; C.I. Solvent Yellow 3 (8CI); HMS2753N05; 2-Methyl-4-o-tolylazo-phenylamine; NSC26821; ZINC3860960; EINECS 255-448-1; Tox21_202261; Tox21_300300; ZINC12359990; o-Aminoazotoluene, analytical standard; 2-methyl-4-[(E)-o-tolylazo]aniline; AKOS000276997; AKOS028108451; ZINC100075200; MCULE-9505754571; NCGC00091180-01; NCGC00091180-02; NCGC00091180-03; NCGC00091180-04; NCGC00091180-05; NCGC00091180-06; NCGC00253994-01; NCGC00259810-01; NCI60_001507; T854; DB-057676; FT-0626389; T0261; 2(Or 3)-methyl-4-((methylphenyl)azo)aniline; C19188; 2-Methyl-4-[(2-methylphenyl)diazenyl]aniline #; Benzenamine, ar-methyl-4-(2-(methylphenyl)diazenyl)-; Q15726118; Q27155855; 4-Amino-2',3-dimethylazobenzene 100 microg/mL in Cyclohexane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1797	.	.	.	.	225.29	C14H15N3	50.7	264	3.7	17	1	3	2	"InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3"	CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C	PFRYFZZSECNQOL-UHFFFAOYSA-N
DG50219	"4,4'-Dithiodimorpholine"	7648	"4,4'-DITHIODIMORPHOLINE; 103-34-4; Morpholine, 4,4'-dithiobis-; Sulfasan; 4,4-Dithiodimorpholine; Sulfasan R; Accel R; 4,4'-Dithiomorpholine; Morpholine disulfide; Morpholino disulfide; Dimorpholine disulfide; Dimorpholino disulfide; Bismorpholino disulfide; Deovulc M; Sanfel R; Dithiobismorpholine; Morpholinodisulfide; Vanax A; Disulfide, dimorpholino-; Usaf ek-t-6645; Usaf B-17; 4,4'-Dithiobismorpholine; N,N'-Dimorpholine Disulfide; N,N-Dithiodimorpholine; 4,4'-Dithiobis(morpholine); N,N'-Bismorpholine disulfide; Di(morpholin-4-yl) disulphide; Dimorpholine N,N'-disulfide; Morpholine, 4,4'-dithiodi-; N,N'-Dithiodimorfolin; DITHIODIMORPHOLINE; 4-(morpholin-4-yldisulfanyl)morpholine; NSC 65239; UNII-M786P489YF; Dithiobis(morpholine); N,N'-Dithiodimorpholine; M786P489YF; NSC65239; Vulnoc; DSSTox_CID_6698; DSSTox_RID_78187; DSSTox_GSID_26698; 4-(4-Morpholinyldisulfanyl)morpholine; CAS-103-34-4; Morpholine, N,N'-disulfide-; CCRIS 8923; N,N'-Dithiodimorfolin [Czech]; HSDB 5351; EINECS 203-103-0; 4,4/'-Dithiodimorpholine; N,N'-dithio-bis-morpholine; BRN 0126214; AI3-08625; Sulfazan R; 4-(morpholinodisulfanyl)morpholine; Dimorpholinodisulfide; Naugex SD-1; Akrochem accelerator R; Morpholine,4'-dithiodi-; 1,2-dimorpholinodisulfane; Morpholine,4'-dithiobis-; 4,4'-dithio-dimorpholine; N,N'-disulfide-Morpholine; 4,4\\'-Dithiodimorpholine; EC 203-103-0; Bis(4-morpholinyl)disulfide; Morpholine, N,N'-disulfide; N,N'-Dithiobis(morpholine); NCIOpen2_003134; 4-27-00-00613 (Beilstein Handbook Reference); 4,4'-Dimorpholine disulphide; SCHEMBL137538; 4,4'-disulfanediyldimorpholine; CHEMBL582932; DTXSID8026698; HLBZWYXLQJQBKU-UHFFFAOYSA-; ZINC500706; 4-morpholin-4-yldisulfanylmorpholine; Tox21_201775; Tox21_303110; BDBM50414924; MFCD00023319; NSC-65239; STL326287; AKOS015897388; WLN: T6N DOTJ ASS-AT6N DOTJ; MCULE-8735596685; 4-(4-Morpholinyldisulfanyl)morpholine #; NCGC00249116-01; NCGC00257082-01; NCGC00259324-01; AS-57709; I607; CS-0196466; D0282; FT-0657982; E78171; Q27283591"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65239	.	.	.	.	236.4	C8H16N2O2S2	75.5	143	0.6	14	0	6	3	InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2	C1COCCN1SSN2CCOCC2	HLBZWYXLQJQBKU-UHFFFAOYSA-N
DG50220	1-Dodecylpyridinium chloride	7717	"1-Dodecylpyridinium chloride; 104-74-5; DODECYLPYRIDINIUM CHLORIDE; Laurylpyridinium chloride; Eltren; Dehyquart C; Quaternario LPC; 1-Laurylpyridinium chloride; N-Dodecylpyridinium chloride; 1-dodecylpyridin-1-ium chloride; N-Laurylpyridinium chloride; UNII-KJM5A6A3YL; Dodecyl pyridinium chloride; 1-dodecylpyridin-1-ium;chloride; KJM5A6A3YL; Pyridinium, 1-dodecyl-, chloride (1:1); Newkalgen B 251; DPC (onium compound); lauryl pyridinium chloride; Pyridinium, 1-dodecyl-, chloride; C 2 (VAN); EINECS 203-232-2; NSC 35027; AI3-02741; 1-dodecylpyridine; C17H30ClN; SCHEMBL122151; DTXSID7051476; 1-Dodecyl-1-pyridinium Chloride; NSC35027; MFCD00011987; NSC-35027; AKOS015833157; 1-Dodecylpyridinium chloride, AldrichCPR; LS-14610; CS-0179760; D0995; FT-0653359; H11279; J-001239; Q27282293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35027	.	.	.	.	283.9	C17H30ClN	3.9	161	.	19	0	1	11	"InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]	GKQHIYSTBXDYNQ-UHFFFAOYSA-M
DG50221	Flavaspidic acid	8237	"Flavaspidic acid; Toxifren; Polystichocitrin; Flavaspidic acid BB; Glavaspidic acid; 114-42-1; Flavaspidsaeure; UNII-7HFR949XW9; NSC 115497; 7HFR949XW9; 2-butanoyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one; NSC115497; NSC-115497; Flavaspidsaeure [German]; BRN 2068481; 4-08-00-03748 (Beilstein Handbook Reference); CHEMBL291819; SCHEMBL1785484; DTXSID90878659; ZINC100055395; 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-5'-methylphloro butyrophenone; Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-5'-methyl-; NCI60_000345; DS-003662; Q5458045; WLN: L6V DHJ BV3 CQ D1 D1 EQ F1R BQ DQ FQ C1 EV3; 2, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-((2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)- (9CI); 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2,5-Cyclohexadien-1-one,3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-; 2-butanoyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dien-1-one; Butyrophenone,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',4',6'-trihydroxy-5'-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115497	.	.	.	.	446.5	C24H30O8	152	837	3.8	32	5	8	8	"InChI=1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-31H,6-10H2,1-5H3"	CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O	NHVQLOCTXSMKIX-UHFFFAOYSA-N
DG50222	Oxyphenisatin acetate	8269	"OXYPHENISATIN ACETATE; 115-33-3; Contax; Acetophenolisatin; Acetalax; Brocatine; Diphesatin; Diphesatine; Acelax; Bisatin; Isocrin; Diacetyldiphenolisatin; Darmoletten; Isaphenin; Izafenin; Promassolax; Puragaceen; Purgaceen; Sanapert; Cirotyl; Eulaxin; Isacen; Isaphen; Laxocol; Lenavac; Lisagal; Prulet; Oxyphenisatine di(acetate); Prulet Liquitab; Laxo-Isatin; Tete-Lax; Diacetyldioxyphenylisatin; Diacetoxydiphenylisatin; Oxyphenisatinacetate; Diacetyldihydroxydiphenylisatin; oxyphenisatine acetate; Diacetyl bis(hydroxyphenyl)isatin; LA 96; 4,4'-Diacetoxydiphenylisatin; Diacetyl bis(p-hydroxyphenyl)isatin; Isatin, O,O'-diacetyldiphenol-; 3,3-Bis(p-acetoxyphenyl)oxindole; oxyphenisatin diacetate; Isalax; Acetphenolisatin; 3,3-Bis(p-acetoxyphenyl)-2-indolinone; UNII-U0Y1YAL65X; Oxyphenisatin Acetate [USAN]; NSC 117186; 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate; Oxindole, 3,3'-bis(p-hydroxyphenyl)-, diacetate; C24H19NO5; 3,3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester); NSC-59687; U0Y1YAL65X; Phenlaxinum; 2H-Indol-2-one, 3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-; [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate; 3,3-Bis(4-acetoxyphenyl)oxindole; NSC59687; NSC117186; NSC-117186; (2-Oxoindoline-3,3-diyl)bis(4,1-phenylene) diacetate; NCGC00159420-02; NCGC00159420-03; NCGC00159420-04; Diphesatinum; Bisatinum; DSSTox_CID_3411; Endophenolphthalein; Isatin,O'-diacetyldiphenol-; DSSTox_RID_77014; DSSTox_GSID_23411; Purgophen (VAN); Oxyphenisatin acetate (USAN); 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate; (2-oxo-2,3-dihydro-1H-indole-3,3-diyl)dibenzene-4,1-diyl diacetate; 4-{3-[4-(acetyloxy)phenyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}phenyl acetate; CAS-115-33-3; Oxindole,3'-bis(p-hydroxyphenyl)-, diacetate; EINECS 204-083-6; NSC 59687; 2-Indolinone,3-bis(p-hydroxyphenyl)-, diacetate (ester); 2H-Indol-2-one,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-; Bydolax; 2H-Indol-2-one, 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-; 4-(3-(4-(Acetyloxy)phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)phenyl acetate; Isocrin (TN); CBDivE_014318; SCHEMBL555117; 4, 4'-Diacetoxydiphenylisatin; CHEMBL1402684; DTXSID9023411; SCHEMBL17471461; CHEBI:135638; 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester); 3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-2h-indol-2-one; 3, 3-Bis(p-acetoxyphenyl)oxindole; BCP15318; ZINC3831258; Tox21_111651; Tox21_111652; (2-oxo-2,3-dihydro-1H-indole-3,3-diyl)bis(4,1-phenylene) diacetate; STL257074; AKOS003617803; Tox21_111651_1; CS-6519; DB14627; MB00312; MCULE-5437635554; SB64142; 3, 3-Bis(p-acetoxyphenyl)-2-indolinone; AS-76657; HY-101714; D05320; 3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate; Q27290537; 3, 3-Bis(p-hydroxyphenyl)-2-indolinone diacetate (ester); [4-[3-(4-acetoxyphenyl)-2-oxo-indolin-3-yl]phenyl] acetate; 2-Indolinone, 3, 3-bis(p-hydroxyphenyl)-, diacetate (ester); 2-Indolinone, 3,3-bis(p-hydroxyphenyl)-, diacetate (ester) (8CI); 2H-Indol-2-one, {3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117186	.	.	.	.	401.4	C24H19NO5	81.7	625	3.5	30	1	5	6	"InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)"	CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C	PHPUXYRXPHEJDF-UHFFFAOYSA-N
DG50223	Maltol	8369	"MALTOL; 118-71-8; 3-Hydroxy-2-methyl-4-pyrone; 3-Hydroxy-2-methyl-4H-pyran-4-one; Larixinic acid; Palatone; Talmon; Larixic acid; Vetol; Veltol; Corps praline; 3-hydroxy-2-methylpyran-4-one; 4H-Pyran-4-one, 3-hydroxy-2-methyl-; 2-Methyl pyromeconic acid; 2-Methyl-3-hydroxy-4-pyrone; 2-Methyl-3-hydroxypyrone; Maltol (natural); 2-Methylpyromeconic acid; 3-Hydroxy-2-methyl-gamma-pyrone; 2-Methyl-3-oxy-gamma-pyrone; 3-Hydroxy-2-methylpyrone; 3-Hydroxy-2-methyl-pyran-4-one; MFCD00006578; FEMA No. 2656; NSC 2829; UNII-3A9RD92BS4; 2-methyl-3-hydroxy-4-pyranone; 3-Hydroxy-2-methyl-4-pyranone; CHEBI:69438; NSC2829; 3-Hydroxy-2-methyl-1,4-pyrone; 3-Hydroxy-2-methyl-.gamma.-pyrone; MLS000069412; 3A9RD92BS4; NSC-2829; 5-Hydroxy-6-methyl-4H-pyran-4-one; NSC-404458; E636; SMR000059093; DSSTox_CID_5523; DSSTox_RID_77818; DSSTox_GSID_25523; WLN: T6O DVJ B1 CQ; CAS-118-71-8; Maltol [NF]; CCRIS 3467; EINECS 204-271-8; BRN 0112169; Methylmaltol; methyl maltol; Laricinic acid; AI3-18547; NATURAL MALTOL; Spectrum_001419; Opera_ID_338; SpecPlus_000443; Ins no.636; Spectrum2_001795; Spectrum3_001351; Spectrum4_001871; Spectrum5_000462; bmse000538; Maltol, analytical standard; SCHEMBL4815; 3-Hydroxy-2-pyran-4-one; Ins-636; BSPBio_003161; KBioGR_002365; KBioSS_001899; SPECTRUM310025; 5-18-01-00114 (Beilstein Handbook Reference); MLS001424145; MLS002415738; 3-Hydroxy-2-methyl-g-pyrone; CHEMBL31422; DivK1c_006539; 3-hydroxy-2-methylpyr-4-one; SPBio_001749; QSPL 180; DTXSID0025523; 2-Methyl-3-oxy-.gamma.-pyrone; 3-hydroxy-2-methyl-4-oxopyrane; 3-hydroxyl-2-methyl-4-pyranone; FEMA 2656; HSDB 8320; KBio1_001483; KBio2_001899; KBio2_004467; KBio2_007035; KBio3_002381; XPCTZQVDEJYUGT-UHFFFAOYSA-; 3-hydroxy-2-methyl-gamma -pyrone; HMS2052K09; HMS3394K09; KUC106764N; ZINC164488; STR01642; Tox21_202215; Tox21_300118; BBL011669; BDBM50227434; CCG-38443; Maltol, natural, >=98.5%, FG; NSC404458; s4940; STK801686; 2-methyl-3-hydroxy-4H-pyran-4-one; Maltol, >=99.0%, FCC, FG; 3-Hydroxy-2-methyl-4-pyrone, 99%; AKOS005607790; 3-Hydroxy-2-Methyl-4-pyrone, natural; CS-W013504; HY-W012788; MCULE-2376032845; NC00350; PS-4578; SDCCGMLS-0066563.P001; Maltol (3-Hydroxy-2-methyl-4-pyrone); 4-(a-d-Glucopyranosido)-a-glucopyranose; NCGC00091223-01; NCGC00091223-02; NCGC00091223-03; NCGC00091223-04; NCGC00091223-05; NCGC00178231-01; NCGC00254046-01; NCGC00259764-01; BP-11468; KSC-11-228-8; N095; NCI60_002320; SY011358; DB-002512; AM20080119; E-636; FT-0615804; M0673; Maltol solution, 1 wt. % in benzyl alcohol; A804081; Q420648; SR-01000712383; SR-01000712383-3; W-108539; BRD-K40619305-001-12-1; Z1868163292; Maltol, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2829	.	.	.	.	126.11	C6H6O3	46.5	200	0.4	9	1	3	0	"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3"	CC1=C(C(=O)C=CO1)O	XPCTZQVDEJYUGT-UHFFFAOYSA-N
DG50224	Dibenzoylmethane	8433	"Dibenzoylmethane; 120-46-7; 1,3-Diphenylpropane-1,3-dione; 1,3-DIPHENYL-1,3-PROPANEDIONE; 1,3-Propanedione, 1,3-diphenyl-; 2-Benzoylacetophenone; Phenyl phenacyl ketone; Rhodiastab 83; omega-Benzoylacetophenone; Dibenzoyl-methane; UNII-ANS7ME8OKC; 1,3-Diphenyl-propane-1,3-dione; NSC 6266; MFCD00003085; ANS7ME8OKC; .omega.-Benzoylacetophenone; CHEBI:75417; NSC-6266; Karenzu DK2; dibenzoyl methane; EINECS 204-398-9; BRN 0514910; AI3-19022; CCRIS 8445; Karenzu DK 2; Dibenzoylmethane DBM); .gamma.-hydroxychalkone; 1, 1,3-diphenyl-; Spectrum2_000038; Spectrum3_001950; EC 204-398-9; DSSTox_CID_21247; DSSTox_RID_79661; DSSTox_GSID_41247; SCHEMBL39582; BSPBio_003550; MLS002695996; SPECTRUM1505311; SPBio_000135; CHEMBL371523; 1,3-diphenyl-1,3-propandione; 1,3-diphenyl-1,3-propanedion; DTXSID3041247; BDBM22727; KBio3_002841; NSC6266; 1,3-Diphenyl-Propan-1,3-Dion; HMS3091A20; STR01439; ZINC4530702; 1,3-Diphenylpropanedione (Related); Tox21_300686; AC7872; CCG-40047; STK372683; AKOS000119639; CS-W010447; HY-W009731; MCULE-6320643310; 1,3-Diphenyl-1,3-propanedione, 98%; UPCMLD0ENAT5883819:001; NCGC00095298-01; NCGC00095298-02; NCGC00095298-03; NCGC00095298-04; NCGC00254594-01; AC-11379; CAS-120-46-7; M261; SMR001253722; SY014045; DB-041558; AM20020283; D0910; FT-0624640; Dibenzoylmethane 1,3-Diphenyl-1,3-propanedione; Q5272260; W-108476; BRD-K01555864-001-02-8; F0001-0329; Z256709078"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6266	.	.	.	.	224.25	C15H12O2	34.1	243	3.1	17	0	2	4	"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2"	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2	NZZIMKJIVMHWJC-UHFFFAOYSA-N
DG50225	Benzethonium chloride	8478	"benzethonium chloride; 121-54-0; Phemeride; Hyamine; Quatrachlor; Benzethoniumchloride; Phemerol Chloride; Phemithyn; Disilyn; Kylacol; Diapp; Polymine D; Hyamine 1622; Benzetonium chloride; Anti-germ 77; Benzethonii chloridum; Antiseptol; Banagerm; Cloruro de benzetonio; Inactisol; Phemerol; Chlorure de benzethonium; Sanizol; Benzethonium chloride 1622; Microklenz; Neostelin green; UNII-PH41D05744; p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride; MFCD00011742; benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride; 5929-09-9; Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride; CHEBI:31264; NSC-20200; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride; PH41D05744; 1313-08-2; p-Diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride; (2-(2-(4-Diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium chloride; DSSTox_CID_3810; 121-54-0 (Cl-); Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride; Benzetonio cloruro; DSSTox_RID_77195; DSSTox_GSID_23810; Benzethoni chloridum; N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride; N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethan-1-aminium chloride; QAC; p-Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride; UNII-RS89WU8V92; CHEMBL221753; RS89WU8V92; Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride; Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride; Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1); Formula 144; NSC20200; Caswell No. 614B; SR-05000001572; NCGC00016373-03; CAS-121-54-0; BZT (VAN); Benzetonio cloruro [DCIT]; C27H42ClNO2; Phemerol chloride monohydrate; Salanine; CCRIS 4748; HSDB 567; [2-[2-(4-Diisobutylphenoxy)ethoxy]ethyl]dimethylbenzylammonium chloride; {2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride; Antiseptol (quarternary compound); Phemersol chloride; benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride; benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride; Microklenz (TN); Benzethonii chloridum [INN-Latin]; NCI-C61494; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride (1:1); N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride; N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride; Prestwick_995; EINECS 204-479-9; Hyamine (TN); Cloruro de benzetonio [INN-Spanish]; NSC 20200; Chlorure de benzethonium [INN-French]; EPA Pesticide Chemical Code 069154; Neostelin green (TN); Benzethonium chloride [USP:INN:BAN:JAN]; EC 204-479-9; Benzethonium chloride, 97%; benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride; Benzethonium Chloride Hydrate; SCHEMBL21713; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; MLS002153968; SPECTRUM1500138; DTXSID6023810; HMS502G17; HMS1570M17; HMS1920G07; HMS2091M09; HMS2097M17; HMS2230M22; HMS3373H09; HMS3652D03; HMS3714M17; HMS3885P07; Pharmakon1600-01500138; Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride; HY-B0942; Tox21_110403; Tox21_202488; CCG-39713; NSC755908; p-Diisobutylphenoxyethoxyethyldimethylbenzylammonium chloride monohydrate; s4162; 2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chloride; AKOS005287417; Tox21_110403_1; ACN-034828; MCULE-8602828714; NSC-755908; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride; Benzethonium chloride (JP17/USP/INN); NCGC00016373-08; NCGC00091528-01; NCGC00091528-02; NCGC00094597-01; NCGC00094597-02; NCGC00094597-03; NCGC00094597-04; NCGC00260037-01; Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate; AS-14646; M019; SMR001233307; DB-053360; B0044; FT-0622657; FT-0635910; Hyamine(R) 1622 solution, 4 mM in H2O; SW197077-3; A13653; Benzethonium chloride, tested according to USP; D01140; N11901; Benzethonium chloride, BioUltra, >=99.0% (AT); Q425119; J-200196; SR-05000001572-1; SR-05000001572-3; F2173-1223; Z1317839149; Benzethonium chloride, >=97% (titration), >=98% (HPLC); [Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride; p-Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; [[(Diisobutyl)phenoxyethoxyethyl]dimethylbenzyl]ammonium chloride; [[(Diisobutylphenoxy)ethoxy]ethyl] dimethyl benzyl ammonium chloride; Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride; Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-,chloride; Benzethonium chloride, European Pharmacopoeia (EP) Reference Standard; Benzethonium chloride, United States Pharmacopeia (USP) Reference Standard; Benzethonium Chloride, Pharmaceutical Secondary Standard; Certified Reference Material; Benzyldimethyl-[[[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; Benzyldimethyl[2-[2-[4-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; Benzyldimethyl[2-[2-[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride; WLN: 1X1 & 1 & 1X1 & 1 & R DO2O2K1 & 1 & 1R & Q & G; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)-, chloride; Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate; Benzenemethanaminium,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride; N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)benzenemethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755908	.	.	.	.	448.1	C27H42ClNO2	18.5	466	.	31	0	3	12	"InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1"	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]	UREZNYTWGJKWBI-UHFFFAOYSA-M
DG50226	"1,9-Pyrazoloanthrone"	8515	"129-56-6; 1,9-Pyrazoloanthrone; SP600125; Pyrazolanthrone; Dibenzo[cd,g]indazol-6(2H)-one; Pyrazoleanthrone; SP 600125; Anthra[1,9-cd]pyrazol-6(2H)-one; SP-600125; Anthra-1,9-pyrazol-6-none; JNK Inhibitor II; 2H-Dibenzo[cd,g]indazol-6-one; C.I. 70300; ANTHRA(1,9-cd)PYRAZOL-6(2H)-ONE; NSC 75890; 1pmv; UNII-1TW30Y2766; NSC75890; NSC-75890; CHEMBL7064; MLS002693964; 2h-dibenzo(cd,g)indazol-6-one; CHEBI:90695; 1TW30Y2766; NCGC00015958-03; SMR000015440; SR-01000075840; EINECS 204-955-6; BRN 0746890; 2zmd; Kinome_3844; Tocris-1496; BiomolKI_000068; Lopac-S-5567; BiomolKI2_000072; cid_8515; DSSTox_CID_20525; DSSTox_RID_79502; CBiol_002049; DSSTox_GSID_40525; Lopac0_000473; BMK1-G8; BSPBio_001066; ChemBiol10705 Compound 4; KBioGR_000406; KBioSS_000406; JMC517015 Compound 2; MLS002153267; MLS006011577; SCHEMBL170980; anthra[1,9-cd]pyrazol-6-one; GTPL5273; Pyrazolanthrone (SP600125); CHEMBL1725279; DTXSID2040525; SCHEMBL15583517; 4-Aminopyridine-2-carboxylicacid; BCBcMAP01_000053; BDBM16018; dibenz[cd,g]indazol-6(2h)-one; KBio2_000406; KBio2_002974; KBio2_005542; KBio3_000771; KBio3_000772; Bio1_000335; Bio1_000824; Bio1_001313; Bio2_000373; Bio2_000853; HMS1362F07; HMS1667K13; HMS1792F07; HMS1990F07; HMS2250C03; HMS3229I16; HMS3261O08; HMS3267P06; HMS3295M01; HMS3403F07; HMS3412F05; HMS3654P10; HMS3676F05; HMS3747M19; ALBB-024051; AMY31086; Anthra[1,9cd]pyrazol-6(2H)-one; BCP05457; EX-A1998; Tox21_110267; Tox21_500473; Anthra[1-9-cd]pyrazol-6(2H)-one; BDBM50024294; BDBM50433916; CCG-47500; Dibenzo[cd,g]indazol-6(2H)-one #; HSCI1_000136; MFCD00022289; NSC755773; s1460; ZINC96298875; AKOS000115584; Anthra[1,9-cd]pyrazol-6(2H)-one;; Anthrapyrazolone; 1,9-Pyrazoloanthrone; CCG-100672; CS-0196; DB01782; LP00473; MCULE-7820194475; NSC-755773; SDCCGSBI-0050458.P003; 1,6-dihydrodibenzo[cd,g]indazol-6-one; 2,6-dihydrodibenzo[cd,g]indazol-6-one; IDI1_002128; QTL1_000077; s10332; SMP2_000240; NCGC00015958-01; NCGC00015958-02; NCGC00015958-04; NCGC00015958-05; NCGC00015958-06; NCGC00015958-07; NCGC00015958-08; NCGC00015958-22; NCGC00025186-01; NCGC00025186-02; NCGC00025186-03; NCGC00025186-04; NCGC00025186-05; NCGC00261158-01; WLN: T C6665 1A P IV OMNJ; 14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one; 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one; AC-32051; AS-14374; CAS-129-56-6; HY-12041; JNK Inhibitor II - CAS 129-56-6; K914; SMR002530644; DB-041928; EU-0100473; FT-0607068; SW218106-2; EN300-02083; Anthra[1,9-cd]pyrazol-6(2H)-one & Z-100; K00068; S 5567; SP600125, >=98% (HPLC); AB00075935-01; SP 600125 & Z-100; 129S566; A888840; Anthra[1,9-cd]pyrazol-6(2H)-one;SP-600125; Q4545713; SR-01000075840-1; SR-01000075840-2; SR-01000075840-4; SR-01000075840-6; SR-01000637108-1; W-108360; BRD-K01567962-001-04-0; BRD-K01567962-001-06-5; BRD-K01567962-001-08-1; BRD-K01567962-001-22-2; Z56785477; F1414-1245; 14,15-diazatetracyclo[7.6.1.0;{2,7}.0;{13,16}]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755773	.	.	.	.	220.23	C14H8N2O	45.8	343	2.7	17	1	2	0	"InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)"	C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O	ACPOUJIDANTYHO-UHFFFAOYSA-N
DG50227	Proxazole citrate	8589	"Proxazole citrate; Pirecin; Solacil; 132-35-4; Aerbron; Toness; Propaxoline; Propaxolin; Proxazol citrate; AF-634; NSC 303872; MLS003115794; AF 634; NSC303872; 1,2,4-OXADIAZOLE, 5-(2-(DIETHYLAMINO)ETHYL)-3-(alpha-ETHYLBENZYL)-, CITRATE; NSC-303872; Flou; Propaxolin citrate; Propaxoline citrate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxypropane-1,2,3-tricarboxylate; Proxazole citrate [USAN]; EINECS 205-059-8; Toness (TN); Proxazole citrate(USAN); 3-alpha-Phenylpropyl-5-beta-diethylaminoethyl-1,2,4-oxadiazole citrate; N,N-Diethyl-3-(1-phenylpropyl)-1,2,4-oxadiazole-5-ethanamine citrate; 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-ethylbenzyl)-1,2,4-oxadiazole citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-phenylpropyl)-1,2,4-oxadiazole citrate; 5-(2-(Diethylamino)ethyl)-3-(alpha-ethylbenzyl)-1,2,4-oxadiazole citrate (1:1); DSSTox_CID_28686; DSSTox_RID_82956; DSSTox_GSID_48760; SCHEMBL41604; Proxazole citrate (JAN/USAN); CHEMBL2104858; DTXSID5048760; CHEBI:32069; Tox21_113225; AKOS015994605; HS-0015; 5-(2-(Diethylammonio)ethyl)-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate; 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); CAS-132-35-4; SMR001831360; D01650; Q27294669; {5-[2-(Diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-1,2,} 4-oxadiazole citrate (1:1); 1,2, 4-Oxadiazole, {5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-,} citrate (1:1); 1,2,4-Oxadiazole, {5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-,} citrate; 1,2,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate; 1,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate; 1,4-Oxadiazole, 5-[2-(diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-, citrate (1:1); 5-[2-(Diethylamino)ethyl]-3-(.alpha.-ethylbenzyl)-1,4-oxadiazole citrate (1:1); 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediyliumcitrate; citric acid; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 1,2, 4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); 1,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); N,N-diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine 2-hydroxy-1,2,3-propanetricarboxylate; N,N-Diethyl-2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethanamine2-hydroxypropane-1,2,3-tricarboxylate; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303872	.	.	.	.	479.5	C23H33N3O8	174	505	.	34	4	11	13	"InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	WFAULHLDTDDABL-UHFFFAOYSA-N
DG50228	2-[(Carboxymethyl)thio]benzoic acid	8660	"135-13-7; 2-(Carboxymethylthio)benzoic acid; 2-[(carboxymethyl)thio]benzoic acid; 2-(carboxymethylsulfanyl)benzoic acid; 2-[(carboxymethyl)sulfanyl]benzoic acid; 2-((Carboxymethyl)thio)benzoic acid; (o-Carboxyphenylthio)acetic acid; 2-Carboxyphenylthioglycolic acid; Acetic acid,(2-carboxyphenyl)thio-; EINECS 205-178-5; BENZOIC ACID, (2-CARBOXYMETHYLTHIO)-; NSC5347; o-((Carboxymethyl)thio)benzoic acid; UNII-P2T1UOX9U3; P2T1UOX9U3; Benzoic acid, (2-(carboxymethyl)thio)-; MLS000530235; NSC-5347; 2-Carboxymethylsulfanyl-benzoic acid; Benzoicacid,2-[(carboxymethyl)thio]; Benzoic acid, 2-[(carboxymethyl)thio]-; SMR000135212; WLN: QV1SR BVQ; o-[(Carboxymethyl)thio]benzoic acid; [2-(Carboxymethyl)thio]benzoic acid; o-[(Carboxyphenyl)thio]glycollic acid; [o-(Carboxyphenyl)mercapto]acetic acid; Benzoic acid, o-[(carboxymethyl)thio]-; Benzoic acid, [2-(carboxymethyl)thio]-; o-Carboxyphenylthioglycollic acid; NSC 379; (2-Carboxymethylthio)benzoic acid; (o-Carboxyphenylmercapto)acetic acid; BRN 2109941; cid_8660; NCIStruc1_000034; NCIStruc2_000159; 2-[(carboxymethyl)sulfanyl]benzenecarboxylic acid; Oprea1_589898; 4-10-00-00278 (Beilstein Handbook Reference); SCHEMBL340809; AMBZ0453; NSC379; CHEMBL1409646; NIOSH/DG4975100; BDBM63007; ZINC92914; DTXSID90159192; NCI5347; NSC-379; 2-carboxymethylsulfanylbenzoic acid; HMS1616D05; HMS2374G19; o-(carboxymethylthio) benzoic acid; ALBB-004041; 3901AD; AM9629; CCG-38140; MFCD00021761; NCGC00013056; STK502136; AKOS001684731; MCULE-5082048769; o-((1-Carboxymethyl)thio)benzoic acid; 2-(CARBOXYMETHYLTHIO)BENZOICACID; NCGC00013056-02; NCGC00096180-01; 2-[(2-Carboxyphenyl)sulfanyl]acetic acid; NCI60_004316; Propionic acid, 2-(o-carboxyphenylthio)-; Benzoic acid, o-((1-carboxyethyl)thio)-; Benzoic acid, o-(1-carboxyethylmercapto)-; DB-015733; BB 0240735; CS-0269504; DG49751000; FT-0610835; 2-(2-hydroxy-2-oxoethylsulfanyl)benzoic acid; Benzoic acid, o-((carboxymethyl)thio)- (8CI); 10L-765; W-109482; Z149170932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5347	.	.	.	.	212.22	C9H8O4S	99.9	229	1.6	14	2	5	4	"InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)"	C1=CC=C(C(=C1)C(=O)O)SCC(=O)O	GMBZSYUPMWCDGK-UHFFFAOYSA-N
DG50229	Acridine Yellow G	8672	"Acridine Yellow G; Acridine Yellow; 135-49-9; Basic Yellow K; Acridine yellow H107; UNII-V0923J4F9K; 3,6-Acridinediamine, 2,7-dimethyl-, monohydrochloride; ci 46025; 2,7-dimethylacridine-3,6-diamine hydrochloride; 2,7-Dimethylacridin-3,6-yldiamine hydrochloride; V0923J4F9K; MFCD00012661; Acridine Yellow G (C.I. 46025); 3,6-Diamino-2,7-dimethylacridine hydrochloride; NSC13973; 2,7-Dimethyl-3,6-acridinediamine monohydrochloride; 3,6-Acridinediamine, 2,7-dimethyl-, hydrochloride (1:1); CHEBI:51742; CCRIS 1202; EINECS 205-194-2; NSC 13973; acridine yellow hydrochloride; SCHEMBL68756; SCHEMBL607918; CHEMBL1985453; DTXSID2059649; 3,6-Acridinediamine,2,7-dimethyl-, hydrochloride (1:1); Diamondphosphin (Acridin yellow G); 3,7-dimethylacridine, hydrochloride; ACRIDINE, 3,6-DIAMINO-2,7-DIMETHYL-, MONOHYDROCHLORIDE; AMY22362; 6283AF; NSC-13973; 3, 2,7-dimethyl-, monohydrochloride; AKOS015916500; Acridine Yellow G, Dye content 90 %; MCULE-7954790448; DB-042292; FT-0631785; 3,6-Diamino-2,7-dimethylacridine monohydrochloride; Acridine,6-diamino-2,7-dimethyl-, monohydrochloride; J-006707; 3,6-Acridinediamine, 2,7-dimethyl-, hydrochloride;; Q23054729"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13973	.	.	.	.	273.76	C15H16ClN3	64.9	278	.	19	3	3	0	"InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl	BGLGAKMTYHWWKW-UHFFFAOYSA-N
DG50230	"2,5-Dimethyl-1,4-benzoquinone"	8718	"2,5-Dimethyl-1,4-benzoquinone; 137-18-8; p-Xyloquinone; Phlorone; 2,5-Dimethyl-p-benzoquinone; 2,5-dimethylcyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-; 2,5-Dimethylquinone; 2,5-Xyloquinone; Floron; 3,6-Dimethyl-p-benzoquinone; 2,5-Dimethylbenzoquinone; 2,5-Dimethyl-2,5-cyclohexadiene-1,4-dione; NSC 15309; p-BENZOQUINONE, 2,5-DIMETHYL-; 2,5-Dimethyl-1,4-benzochinon; 2,5-Dimetilbenzochinone (1:4); 2,5-Dimethyl-[1,4]benzoquinone; 2,5-Dimethyl-p-quinone; MFCD00041737; 2,5-Dimethyl Benzoquinone; UNII-18D1OR9CE1; 18D1OR9CE1; NSC15309; p-Benzoquinone,5-dimethyl-; Floron [Czech]; Florone [Italian]; 2,4-dione, 2,5-dimethyl-; 2,5-Dimethyl-4-benzoquinone; WLN: L6V DVJ B1 E1; CCRIS 7150; EINECS 205-283-6; 2,5-Dimethyl-1,4-benzochinon [Czech]; 2,5-Dimetilbenzochinone (1:4) [Italian]; AI3-61044; BENZOQUINONE, 2, 5-DIMETHYL-(PHLORONE); SCHEMBL49964; 2,5-dimethyl-parabenzoquinone; Benzoquinone, 2, 5-dimethyl-; CHEMBL150457; DTXSID0059669; MYKLQMNSFPAPLZ-UHFFFAOYSA-; 2,5-Dimethylbenzo-1,4-quinone #; BCP25411; NSC36547; NSC37558; ZINC1706874; 6552AA; BDBM50480246; NSC-15309; NSC-36547; NSC-37558; AKOS015903704; MCULE-3530749400; NCGC00164488-01; AS-31102; NCI60_001078; SY023221; CS-0134626; D0686; FT-0687462; 2,5-Dimethyl-1,4-benzoquinone, >=98.0%; 2,5-Cyclohexadiene-1,4-dione,2,5-dimethyl-; A886546; J-006974; 2,5-DIMETHYL-1,4-BENZOQUINONE                        2,5-XYLOQUINONE                        2,5-DIMETHYL-P-BENZOQUINONE                        2,5-DIMETHYL-P-QUINONE                        2,5-DIMETHY"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15309	.	.	.	.	136.15	C8H8O2	34.1	228	1.3	10	0	2	0	"InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3"	CC1=CC(=O)C(=CC1=O)C	MYKLQMNSFPAPLZ-UHFFFAOYSA-N
DG50231	Benzododecinium chloride	8753	"139-07-1; Benzododecinium chloride; N-Benzyl-N,N-dimethyldodecan-1-aminium chloride; Benzyldimethyldodecylammonium chloride; Cequartyl A; Catigene OM; Benzyldodecyldimethylammonium chloride; ZEPHIROL; Catiogen PAN; Dodecyl dimethyl benzyl ammonium chloride; Rolcril; Catinal CB 50; Dehyquart LDB; Vantoc CL; Benzododecinii Chloridum; Catiolite BC 50; dodecyldimethylbenzylammonium chloride; Noramium DA 50; Triton K60; Lauryldimethylbenzylammonium chloride; Amoryl BR 1244; Cloruro de Benzododecinio; Laurylbenzalkonium chloride; Chlorure de Benzododecinium; Benzyldimethyllaurylammonium chloride; Dimethylbenzyllaurylammonium chloride; Laurylbenzyldimethylammonium chloride; Bas 2631; Dimethylbenzyldodecylammonium chloride; Dimethyldodecylbenzylammonium chloride; Dodecylbenzyldimethylammonium chloride; N-Lauryldimethylbenzylammonium chloride; N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride; NSC 85508; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride; UNII-Y5A751G47H; N-Dodecyldimethylbenzylammonium chloride; Benzododecinium chloride [INN]; Dodecyldimethylbenzylammonium chloride (ACN); Alkyldimethylbenzylammonium chloride; NSC-85508; Benzododecinium (Chloride); N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride; N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride; N,N-Dimethyl-N-dodecylbenzenemethanaminium chloride; Lauryl dimethyl benzyl ammonium chloride; Lauryl benzalkonium (chloride); Y5A751G47H; NSC85508; MFCD00137276; Retarder N; Orthosan HM; BENZYLDIMETHYL-N-DODECYLAMMONIUM CHLORIDE; DSSTox_CID_14317; Loraquat B 50; Rewoquat B 50; Tetranil BC 80; Texnol R 5; Benzododecinium chloride (INN); Caswell No. 073A; Caswell No. 416C; Swanol CA 100; Swanol CA 101; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, chloride (1:1); Dimethylaurylbenzylammonium chloride; Dimethylbenzyldodecylammonium chloride; Dimethylbenzyllaurylammonium chloride; Benzododecinio cloruro [DCIT]; Benzododecinio cloruro; Ammonium, benzyldodecyldimethyl-, chloride; DYK 1125; QBA 1211; EINECS 205-351-5; Benzododecinii chloridum [INN-Latin]; Benzyl-lauryldimethylammonium chloride; EPA Pesticide Chemical Code 069124; Dodecyl-dimethyl-benzylammonium chloride; Cloruro de benzododecinio [INN-Spanish]; Euchlorine; Chlorure de benzododecinium [INN-French]; Tetranil; Swanol; Ammonium, benzyldimethyldodecyl-, chloride; 2-Phenylburyricacid; D-Dodecyl-N,N-dimethylbenzenemethanaminium chloride; benzyl-dodecyl-dimethylazanium chloride; SCHEMBL914; n-dodecyl-n-benzyl-n,n-dimethylammonium chloride; DSSTox_RID_79142; DSSTox_RID_79599; DSSTox_GSID_34317; DSSTox_GSID_40787; Benzenemethanaminium, N,N-dimethyl-N-dodecyl-, chloride; CHEMBL1885899; DTXSID2040787; NSC-85508Lauralkonium chloride; CHEBI:167208; Lauryldimethylbenzoammonium chloride; Benzyllauryldimethylammonium chloride; HY-B1549; Tox21_301369; Tox21_302065; dodecyldimethylbenzyl ammonium chloride; AKOS015902768; benzyl-dodecyl-dimethylammonium chloride; MCULE-8886547021; SC10035; NCGC00164245-01; NCGC00255209-01; NCGC00255472-01; BS-15004; CAS-139-07-1; CAS-8001-54-5; DB-029696; CS-0013412; FT-0602836; D07210; H11039; Ammonium, benzyldodecyldimethyl-, chloride (8CI); Q408727; W-108223; UNII-9U1Q4T4ZYS component JBIROUFYLSSYDX-UHFFFAOYSA-M; UNII-F5UM2KM3W7 component JBIROUFYLSSYDX-UHFFFAOYSA-M"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85508	.	.	.	.	340	C21H38ClN	0	240	.	23	0	1	13	"InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]	JBIROUFYLSSYDX-UHFFFAOYSA-M
DG50232	Diethyldithiocarbamic acid	8987	"Diethyldithiocarbamic acid; Ditiocarb; Diethylcarbamodithioic acid; 147-84-2; Carbamodithioic acid, diethyl-; Diethyl dithiocarbamate; Diethyldithione; Carbamic acid, diethyldithio-; Dithiocarb; Imuthiol; DIETHANOL-DITHIOCARBAMATE; UNII-99Z2744345; Carbamodithioic acid, N,N-diethyl-; Cupral; Dieca; DETC; 99Z2744345; NSC4857; NSC38583; CCRIS 7364; NCGC00166328-01; EINECS 205-701-7; Diethyldithiocarbaminic acid; BRN 1747741; n,n-diethyldithiocarbamic acid; 4olc; diethyl-dithiocarbamate; ditiocarb-sodium-trihydrate; CHEMBL961; NCIMech_000185; Carbamic acid,diethyldithio-; SCHEMBL48382; Diethylcarbamodithioic acid #; 4-04-00-00389 (Beilstein Handbook Reference); N,N-diethylcarbamodithioic acid; DTXSID3045017; CHEBI:144353; ZINC3633221; BDBM50428474; CCG-35356; diethyl[sulfanyl(carbonothioyl)]amine; AKOS006230661; DB02520; NCGC00166328-02; NCI60_004156; C19150; SR-01000944438; SR-01000944438-1; Q27093504"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4857	.	.	.	.	149.3	C5H11NS2	36.3	78.5	1.6	8	1	2	2	"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)"	CCN(CC)C(=S)S	LMBWSYZSUOEYSN-UHFFFAOYSA-N
DG50233	Cycloguanil hydrochloride	9048	"CYCLOGUANIL HYDROCHLORIDE; 152-53-4; Cycloguanil HCl; 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride; Chloroguanide triazine hydrochloride; NSC 3074; UNII-5C8E0L7498; Cycloguanil (hydrochloride); CHEBI:79772; MFCD00035308; 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine monohydrochloride; 5C8E0L7498; 152-53-4 (HCl); NCGC00229703-01; 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride; 1-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine Hydrochloride; GNF-PF-2519; NSC3074; BN 2410; AI3-26080; Chloroguanide Triazine; DSSTox_CID_28979; DSSTox_RID_83244; DSSTox_GSID_49053; MLS006011693; C11H15Cl2N5; CHEMBL544227; DTXSID7049053; NSC-3074; Tox21_113603; 7651AA; HY-12784A; AKOS003661804; CS-W012212; MCULE-3192862255; SB73714; s-Triazine, 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-, monohydrochloride; CAS-152-53-4; DS-14609; SMR002530105; FT-0665342; C72890; A883898; 4,2-dihydro-2,2-dimethyl-s-triazine hydrochloride; J-008930; Q27148906; WLN: T6N CN EN BHJ AR DG & B1 B1 DZ FZ & GH; 1,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, monohydrochloride; 1-(4-CHLOROPHENYL)-4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1,3,5-TRIAZINE HCL; s-Triazine,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-, monohydrochloride; 1,3,5-Triazine-2,4-diamine, 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-, monohydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3074	.	.	.	.	288.17	C11H15Cl2N5	80	355	.	18	3	1	1	"InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H"	CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl	MOUAPRKJJUXEIE-UHFFFAOYSA-N
DG50234	"2,3,5-Triphenyltetrazolium chloride"	9283	"2,3,5-Triphenyltetrazolium chloride; Tetrazolium Red; 298-96-4; Red tetrazolium; Uroscreen; Urocheck; Vitastain; TRIPHENYLTETRAZOLIUM CHLORIDE; Tetrazolium chloride; TTC; 2,3,5-triphenyl-2h-tetrazol-3-ium chloride; Tetrazole Red; UNII-D25727K0RB; 2,3,5-triphenyltetrazol-2-ium;chloride; MFCD00011963; MLS002702520; TT; CHEBI:78019; D25727K0RB; 2H-Tetrazolium, 2,3,5-triphenyl-, chloride (1:1); PTB; 2,3,5-Triphenyltetrazolium chloride;TPTZ;TTC; Tetrzolium chloride; NSC 5053; 1,3,5-Triphenyltetrazolium chloride; EINECS 206-071-6; 1,3,5-Triphenyl-2H-tetrazolium chloride; AI3-50893; Cambridge id 5252916; SCHEMBL33487; triphenyl tetrazolium chloride; CHEMBL401540; DTXSID30889340; NSC5053; 1,5-Triphenyltetrazolium chloride; 2,5-Triphenyltetrazolium chloride; HMS1412L21; BCP15017; HY-D0714; NSC-5053; AKOS001445309; 1,5-Triphenyl-2H-tetrazolium chloride; 2,5-Triphenyl-2H-tetrazolium chloride; AM84909; CS-3521; LS40371; MCULE-1563920342; TTC2,3,5-Triphenyltetrazolium chloride; 2H-Tetrazolium,3,5-triphenyl-, chloride; DS-13606; SMR001566133; SY061570; DB-047670; FT-0609469; T0520; 2,3,5-Triphenyltetrazolium chloride, >=95%; F20368; T-6940; Q415248; J-610013; J-670027; 2,3,5-Triphenyltetrazolium chloride, >=99.0% (AT); Red tetrazolium 2,3,5-Triphenyl tetrazolium chloride; 2,3,5-Triphenyl-tetrazolium chloride solution, for microbiology; 2,3,5-Triphenyltetrazolium chloride, JIS special grade, 98.0-102.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5053	.	.	.	.	334.8	C19H15ClN4	34.6	330	.	24	0	3	3	InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1	C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	PKDBCJSWQUOKDO-UHFFFAOYSA-M
DG50235	Phenazine methosulfate	9285	"Phenazine methosulfate; 299-11-6; 5-methylphenazin-5-ium methyl sulfate; 5-Methylphenazinium methyl sulfate; Phenazine methosulphate; N-Methylphenazonium methosulfate; Phenazinium, 5-methyl-, methyl sulfate; Methylphenazonium methosulfate; 5-Methylphenazine methylsulfate; N-Methylphenazinium methosulfate; N-Methylphenazonium methosulphate; 5-Methylphenazinium methyl sulphate; 5-Methyl phenazine, methyl sulfate salt; N-Methylphenazinium methyl sulfate; 5-N-Methylphenazonium methosulfate; UNII-J3GYQ3401Y; N-Methylphenazonium methyl sulfate; Phenazine (methylsulfate); 5-methylphenazin-5-ium;methyl sulfate; J3GYQ3401Y; MFCD00011923; Phenazine Methyl Sulfate; Phenazinium, 5-methyl-, methyl sulfate (1:1); PMS (pharmaceutical); PMS (VAN); 5-methylphenazin-5-ium; methyl sulfate; CCRIS 5618; EINECS 206-072-1; NSC 34661; AI3-61076; phenazin methosulfate; Phenazinium, methyl sulfate; SCHEMBL94397; CHEBI:8055; DTXSID1059783; 5-methyl phenazinium methosulfate; AMY27098; NSC34661; NSC-34661; N-Methylphenazonium methosulfate(PMS); AKOS005146546; Phenazine methosulfate, >=90% (UV); CCG-267536; CS-W004520; DS-8261; HY-W004520; FT-0654557; P0083; P1872; C00200; D82042; A820104; W-106967; Q27107674; 94845-69-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34661	.	.	.	.	306.34	C14H14N2O4S	91.6	297	.	21	0	5	0	"InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1"	C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]	RXGJTUSBYWCRBK-UHFFFAOYSA-M
DG50237	6-Aminonicotinamide	9500	"6-aminonicotinamide; 329-89-5; 6-Aminopyridine-3-carboxamide; 3-PYRIDINECARBOXAMIDE, 6-AMINO-; 2-Amino-5-carbamoylpyridine; 6-amino-3-pyridinecarboxamide; 6-Aminonicotinic acid amide; 6-Aminonikotinsaeureamid; Nicotinamide, 6-amino-; Aminonicotinamide; FDA 0121; NSC 21206; 6-AN; SR 4388; 6-Amino-nicotinsaeureamid; UNII-D6FNW67F2B; U-8774; NSC21206; 6-ANA; D6FNW67F2B; CHEBI:74514; MFCD00006327; CCRIS 7679; 6-Aminonikotinsaeureamid [German]; EINECS 206-349-7; BRN 0116042; AI3-50770; 6-Aminonitoinamide; 6-amino-nicotinamide; 6-Amino nicotinamide; Spectrum2_001709; Spectrum3_001976; Aminonicotinamide (Related); NCIMech_000769; WLN: T6NJ BZ EVZ; 6-Aminonicotinamide, 99%; DSSTox_CID_30043; DSSTox_GSID_51446; BSPBio_003576; 5-22-13-00618 (Beilstein Handbook Reference); MLS002207034; 2-Aminopyridine-5-carboxamide; SCHEMBL105510; SPECTRUM1505315; SPBio_001698; 6-azanylpyridine-3-carboxamide; CHEMBL1324108; DTXSID5051446; KBio3_002955; Nicotinamide, 6-amino- (8CI); AMY5634; BDBM225673; GTC000445A; HMS3865N03; ALBB-025399; Tox21_303956; BBL104231; CCG-35857; NSC-21206; s9783; STL558250; ZINC19796190; AKOS003406190; HY-W010342; MCULE-4611667997; NCGC00095299-01; NCGC00095299-02; NCGC00095299-03; NCGC00357190-01; AC-31893; BP-13037; CAS-329-89-5; NCI60_001784; SMR001306701; SY038238; TS-00033; DB-048308; A0986; FT-0620940; Z2495; 329A895; A821549; W-202353; Q26841298; 4FG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21206	.	.	.	.	137.14	C6H7N3O	82	137	0.7	10	2	3	1	"InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)"	C1=CC(=NC=C1C(=O)N)N	ZLWYEPMDOUQDBW-UHFFFAOYSA-N
DG50238	"3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine"	9571	"o-DL-Sarcolysin; o-Phenylalanine mustard; (+-)-O-Phenylalanine mustard; FDA 0109; NSC-57199; CB 1729; 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine; 342-95-0; DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)-; DL-Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-; o-Merphalan; o-Sarcolysin; Ortho-phenylalanine mustard; DL-Phenylalanine, 2-[bis(2-chloroethyl)amino]-; DL-Alanine, 3-(o-[bis(2-chloroethyl)amino]phenyl)-; o-Di-2-chloroethylamino-DL-phenylalanine; AI3-50754; 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-DL-alanine; 2-(bis(2-Chloroethyl)amino)phenylalanine; ALANINE, 3-(o-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-, DL-; NCIOpen2_007587; WLN: QVYZ1R BN2G2G; CHEMBL3247486; (.+-.)-o-Phenylalanine mustard; NSC57199; DS-001019; o-Di-(2-chloroethyl)amino-DL-phenylalanine; Phenylalanine, 2-(bis(2-chloroethyl)amino)-; 3-(o-(Bis(.beta.-chloroethyl)amino)phenyl)-d,l-alanine; 3-[o-[Bis(.beta.-chloroethyl)amino]phenyl]-DL-alanine; DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57199	.	.	.	.	305.2	C13H18Cl2N2O2	66.6	273	-0.1	19	2	4	8	"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)12-4-2-1-3-10(12)9-11(16)13(18)19/h1-4,11H,5-9,16H2,(H,18,19)"	C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl	ZJHNCWIVJDCKSB-UHFFFAOYSA-N
DG50239	Procarbazine hydrochloride	9703	"Procarbazine hydrochloride; 366-70-1; PROCARBAZINE HCl; Matulane; Nathulane; Natunalar; Procarbazine.HCl; MIH hydrochloride; PCB hydrochloride; Ibenzmethyzine hydrochloride; Procarbazine (Hydrochloride); Natulan; NSC-77213; UNII-XH0NPH5ZX8; NCI-C01810; N-isopropyl-4-((2-methylhydrazinyl)methyl)benzamide hydrochloride; CHEBI:71428; XH0NPH5ZX8; p-(N'-Methylhydrazinomethyl)-N-isopropylbenzamide hydrochloride; 366-70-1 (HCl); NSC-77213 HCl; 1-(p-Isopropylcarbamoylbenzyl)-2-methylhydrazine hydrochloride; 1-Methyl-2-(p-isopropylcarbamoylbenzyl)hydrazine hydrochloride; 1-Methyl-2-p-(isopropylcarbamoyl)benzohydrazine hydrochloride; N-Isopropyl-p-(2-methylhydrazinomethyl)benzamide hydrochloride; 2-(p-(Isopropylcarbamoyl)benzyl)-1-methylhydrazine hydrochloride; N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide hydrochloride; NSC77213; Ro 4-6467/1; MFCD00072082; Procarbazine hydrochloride (Matulane); MBH; Ro-46467/1; 4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride; DSSTox_CID_1190; N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]benzamide hydrochloride; Benzamide, N-(1-methylethyl)-4-((2-methylhydrazino)methyl)-, monohydrochloride; DSSTox_RID_76000; DSSTox_GSID_21190; Natulan hydrochloride; Procarbazine chloridrate; Ibenzmethyzin hydrochloride; 4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide hydrochloride; Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-, monohydrochloride; CCRIS 531; NCGC00016438-01; Ro-4646711; CAS-366-70-1; EINECS 206-678-6; NSC 77213; AI3-50844; SR-01000763375; Matulane (TN); N-isopropyl-4-[(2-methylhydrazino)methyl]benzamide hydrochloride; Procarbazine hydrochloride [USAN:USP:JAN]; N-Isopropyl-alpha-(2-methylhydrazino)-p-toluamide monohydrochloride; p-Toluamide, N-isopropyl-alpha-(2-methylhydrazino)-, hydrochloride; Procarbazini hydrochloridum; Chlorhydrate de 1-methyl 2 p (isopropylcarbamoyl)benzyl-hydrazine [French]; SCHEMBL4012; C12H20ClN3O; methyl)benzamide hydrochloride; Procarbazine Monohydrochloride; MLS001401414; p-Toluamide, monohydrochloride; CHEMBL1200410; DTXSID3021190; AMY8865; HMS1571O06; RO-4-6467 HYDROCHLORIDE; BCP02880; Chlorhydrate de 1-methyl 2 p (isopropylcarbamoyl)benzyl-hydrazine; NCI-C 01810; NCI-C-01810; Procarbazine hydrochloride (Natulan); Tox21_110439; Tox21_302318; BDBM50247906; p-Toluamide, N-isopropyl-alpha-(2-methylhydrazino)-, monohydrochloride; s1995; WLN: 1Y1&MVR D1MM1 &GH; N-isopropyl-4-((2-methylhydrazinyl); AKOS015895395; Tox21_110439_1; CCG-100985; MCULE-2203793025; NC00235; Procarbazine hydrochloride (JP17/USP); NCGC00016438-04; NCGC00255389-01; AC-12163; AS-13285; BP164298; H809; HY-13733; Ro 4 6467/1; Ro 4-646711; SMR000469151; BCP0726000264; DB-048987; Procarbazine hydrochloride, >=98% (HPLC); FT-0603386; P2550; C07376; D00478; 366P701; A823326; SR-01000763375-4; Q26840941; Z1550675463; 4-[(methylhydrazo)methyl]-N-propan-2-ylbenzamide hydrochloride; methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium;chloride; 4-[(2-methyl-hydrazino)-methyl]-benzoic acid isopropylamide hydrochloride; 4-[(2-methylhydrazinyl)methyl]-N-propan-2-yl-benzamide hydrochloride; N-(1-Methylethyl)-4-[(2-methylhydrazinyl)methyl]benzamide hydrochloride; Procarbazine hydrochloride, United States Pharmacopeia (USP) Reference Standard; Procarbazine Hydrochloride; ; ; Natulan; ; ; 4-[(2-Methylhydrazinyl)methyl]-N-propan-2-ylbenzamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77213	.	.	.	.	257.76	C12H20ClN3O	53.2	210	.	17	4	3	5	"InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H"	CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl	DERJYEZSLHIUKF-UHFFFAOYSA-N
DG50240	N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide	9824	"329-30-6; Tos-Phe-chloromethylketone; N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide; n-(4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide; NSC 89167; Tosylphenylalanyl chloromethyl ketone, (L)-; L-1-Tosylamide-2-phenylethylchloromethyl Ketone; SCHEMBL441444; DTXSID20926571; NPE1244; Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-; Tosyl-L-phenylalanyl-chloromethane; NSC89167; NSC-89167; AKOS024370910; Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-; tosyl-l-phenylalanyl chloromethyl ketone; LS-14569; NCI60_041981; 1-chloro-3-tosylamido-4-phenyl-2-butanone; FT-0627626; J-018945; N-(1-Benzyl-3-chloro-2-oxopropyl)-p-toluenesulfonamide; N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzene-1-sulfonamide; 130021-38-4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89167	.	.	.	.	351.8	C17H18ClNO3S	71.6	475	3.6	23	1	4	7	"InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl	MQUQNUAYKLCRME-UHFFFAOYSA-N
DG50241	Fluorometholone	9878	"fluorometholone; 426-13-1; Fluoromethalone; Oxylone; Flumetholon; Fluormetholone; Cortilet; Delmeson; FML Liquifilm; Fluor-Op; Trilcin; FML Forte; Fluorometolona; Fluorometholonum; Fluormetholon; NSC 33001; component of Neo-Oxylone; UNII-SV0CSG527L; FML; U 8614; CHEBI:31625; 9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; SV0CSG527L; MLS000069537; MLS001076157; Fluormetholonum; NSC33001; MFCD00056461; NSC-33001; Fluorometolone; SMR000058598; 9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione; Fluorometolone [DCIT]; Neo-Oxylone; FML-S Liquifilm; DSSTox_CID_27435; DSSTox_RID_82345; FML S.O.P.; DSSTox_GSID_47435; Fluorometholonum [INN-Latin]; Fluorometolona [INN-Spanish]; Oxylone (TN); Fluor-op (TN); Fml (TN); EINECS 207-041-5; Fluorometholon; AI3-52813; NCGC00016442-01; CAS-426-13-1; Prestwick_227; 9-Fluoro-11-beta,17-dihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione; Fluorometholone [USP:INN:BAN:JAN]; Opera_ID_341; Prestwick0_000718; Prestwick1_000718; Prestwick2_000718; Prestwick3_000718; F0414; Fluorometholone, >=98%; Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17-dihydroxy-6-alpha-methyl-; SCHEMBL5051; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6alpha,11beta)-; BSPBio_000935; SPBio_002856; BPBio1_001029; GTPL7079; CHEMBL1200600; DTXSID7047435; Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-; Fluorometholone (JP17/USP/INN); HMS1570O17; HMS2097O17; HMS2234F16; HMS3714O17; HY-B1893; Tox21_110440; Tox21_302593; BDBM50103631; s5486; 11beta,17alpha-Dihydroxy-9-fluoro-6-methyl-1,4-pregnadiene-3,20-dione; AKOS015895108; Tox21_110440_1; ZINC118912517; AC-3520; CCG-220718; DB00324; (6alpha,11beta)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione; NCGC00021575-03; NCGC00021575-05; NCGC00256631-01; AS-12363; NCI60_002886; CS-0013955; Progesterone, 17-dihydroxy-6.alpha.-methyl-; D01367; 426F131; Q607349; SR-01000003019; SR-01000003019-2; BRD-K64862097-001-03-9; BRD-K64862097-001-12-0; Fluorometholone, British Pharmacopoeia (BP) Reference Standard; Fluorometholone, United States Pharmacopeia (USP) Reference Standard; Pregna-1,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-; Progesterone, 1-dehydro-9-fluoro-11.beta., 17-dihydroxy-6.alpha.-methyl-; Pregna-1,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6I+/-,11I(2))-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17-dihydroxy-6alpha-methyl- (8CI); (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-14,17-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-14,17-dihydroxy-2,8,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-5-one; Pregna-1, 4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6.alpha., 11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33001	.	.	.	.	376.5	C22H29FO4	74.6	787	2	27	2	5	1	"InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O	FAOZLTXFLGPHNG-KNAQIMQKSA-N
DG50242	"5,8-Dihydroxy-1,4-naphthoquinone"	10141	"Naphthazarin; 5,8-Dihydroxy-1,4-naphthoquinone; 475-38-7; 5,8-dihydroxynaphthalene-1,4-dione; Naphthazarine; Naphthazarone; 5,8-Dihydroxynaphthoquinone; 5,8-Dihydroxy-1,4-naphthalenedione; NAPHTHAZALIN; 5,8-Dihydroxy-1,4-naphthosemiquinone; 5,8-Dihydroxy-[1,4]naphthoquinone; UNII-S9IX5I5C0K; S9IX5I5C0K; CHEMBL274056; 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-; CHEBI:28849; NSC26647; NSC344555; CCRIS 6670; Dihydroxynaphthoquinone; EINECS 207-495-4; NAPTHAZARIN NPHZ; 5,4-naphthosemiquinone; 1, 5,8-dihydroxy-; 5,8-Dihydroxynaphthaquinone; SCHEMBL149279; NQ-2; SCHEMBL10866768; DTXSID00197161; ZINC901191; 1,5-dihydroxy-4,8-naphthoquinone; HY-N7526; 4,8-Dihydroxy-1,5-naphthalenedione; BDBM50060898; MFCD00001685; NSC-26647; AKOS015914982; NSC-344555; AS-76136; NCI60_002143; S310; DB-051459; CS-0132365; D2070; FT-0619861; 1,4-Naphthalenedione, 5,8-dihydroxy- (9CI); 10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N; T70948; 10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N.1; 475D387; AE-641/01108012; doi:10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N; 5,8-Dihydroxy-1,4-naphthoquinone, technical grade; doi:10.14272/RQNVIKXOOKXAJQ-UHFFFAOYSA-N.1; Q4639550; W-109038"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26647	.	.	.	.	190.15	C10H6O4	74.6	277	1.8	14	2	4	0	"InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H"	C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O	RQNVIKXOOKXAJQ-UHFFFAOYSA-N
DG50243	Liriodenine	10144	"Liriodenine; 475-75-2; Oxoushinsunine; Micheline B; Spermatheridine; Oxoushinsunin; Spermatheridin; Ushinsunine, oxo-; 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one; Hiriodenine; NSC93681; NSC215254; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; Spermatheridine; VLT 045; CHEMBL37736; UNII-E134R7X4O9; CHEBI:70649; E134R7X4O9; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one; 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one; 8H-[1,3]Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one; 8H-Benzo[g]-1,5,4-de]quinolin-8-one; CCRIS 1549; NSC 93681; NSC 215254; BRN 0273167; Noraporphin-7-one,5,6,6a-tetradehydro-1,2-(methylenedioxy)-; 4-27-00-06585 (Beilstein Handbook Reference); SCHEMBL165803; MEGxp0_001521; ZINC6256; DTXSID40197165; HY-N3376; BDBM50202301; NSC-93681; AKOS028108460; NSC-215254; NCI60_001798; NCI60_042088; CS-0024041; FT-0698453; C09567; A934851; Q5976903; 8H-Benzo[g]-1,3benzodioxolo[6,5,4-de]quinolin-8-one; 8H-[1,3]Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one #; 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9CI); 3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215254	.	.	.	.	275.26	C17H9NO3	48.4	453	3.4	21	0	4	0	"InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2"	C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53	MUMCCPUVOAUBAN-UHFFFAOYSA-N
DG50244	"6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol"	10170	"BERBAMINE; 478-61-5; 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol; GNF-Pf-1034; SCHEMBL19041; CHEMBL1198334; CHEBI:182116; BCP29709; MFCD00067632; NSC766769; STK801360; AKOS005612992; AC-1313; MCULE-1680809407; NSC-105131; NSC-766769; 20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol; AC-20191; NCI60_000125; DB-050235; FT-0622872; W1165; Q-100513; d-Berbamine pound>>6,6',7-trimethoxy-2,2'-dimethyl-berbaman-12-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105131	.	.	.	.	608.7	C37H40N2O6	72.9	963	6.1	45	1	8	3	"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC	DFOCUWZXJBAUSQ-UHFFFAOYSA-N
DG50245	Plumbagin	10205	"Plumbagin; 481-42-5; Plumbagine; 5-Hydroxy-2-methyl-1,4-naphthoquinone; Plumbaein; 2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; Plumbagone; 1,4-Naphthalenedione, 5-hydroxy-2-methyl-; 5-Hydroxy-2-methyl-[1,4]naphthoquinone; 5-Hydroxy-2-methyl-1,4-naphthalenedione; 2-Methyl-5-hydroxy-1,4-naphthoquinone; UNII-YAS4TBQ4OQ; NSC 236613; NSC 688284; YAS4TBQ4OQ; 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione; CHEBI:8273; CHEMBL295316; 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-; MFCD00001682; NSC236613; NSC688284; NSC-236613; NSC-688284; 5-Hydroxy-2-methyl-naphthalene-1,4-dione; plumbapin; CCRIS 6671; SR-05000002263; EINECS 207-569-6; BRN 1870475; Ophioxylin; Pumbagin; AI3-38055; ST069355; RTK1; 1, 5-hydroxy-2-methyl-; SCHEMBL34186; BSPBio_002546; 4-08-00-02376 (Beilstein Handbook Reference); Plumbagin from Plumbago indica; SPECTRUM1505129; GTPL7003; PCUR-101; DTXSID8075413; ACon1_001611; ZINC58187; HMS3870L13; WLN: L66 BV EVJ C1 GQ; HY-N1497; BDBM50012070; s4777; STL564479; AKOS015969699; CCG-208032; CCG-208410; MCULE-9327502882; NCGC00094567-01; NCGC00094567-02; NCGC00094567-03; NCGC00094567-04; NCGC00094567-05; NCGC00094567-06; BP-25404; NCI60_001904; PS-11338; R242; DB-051524; CS-0017042; FT-0602795; P1139; 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE; A827479; 1,4-Naphthalenedione, 5-hydroxy-2-methyl- (9CI); A1-00788; Q2550553; SR-05000002263-2; SR-05000002263-3; W-202844; BRD-K36137799-001-02-4; BRD-K36137799-001-03-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	236613	.	.	.	.	188.18	C11H8O3	54.4	317	2.3	14	1	3	0	"InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3"	CC1=CC(=O)C2=C(C1=O)C=CC=C2O	VCMMXZQDRFWYSE-UHFFFAOYSA-N
DG50246	Cepharanthine	10206	"CEPHARANTHINE; 481-49-2; Cepharanthin; (+)-Cepharanthine; O-Methylcepharanoline; Cepharantin; Cepharanthine [JAN]; UNII-7592YJ0J6T; NSC-623442; 6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan; CHEBI:3546; 7592YJ0J6T; NSC623442; Cepharanthine (JAN); (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene; ecaene (non-preferred name); DSSTox_CID_25957; DSSTox_RID_81253; DSSTox_GSID_45957; 22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene; C37H38N2O6; CAS-481-49-2; CCRIS 6539; SR-01000779734; NSC 623442; BRN 0075231; Cepharanthin,(S); NCGC00095194-01; (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod; Cepharanthine (TN); Spectrum2_000832; Spectrum3_001963; 12-O-Methylcepharanoline; UPCMLD-DP054; BSPBio_003563; 4-27-00-09061 (Beilstein Handbook Reference); MLS000728518; SCHEMBL154545; SPECTRUM1505322; SPBio_000783; CHEMBL449782; DTXSID6045957; UPCMLD-DP054:001; KBio3_002909; Cepharanthine, >=95% (HPLC); Cepharanthine, >=98% (HPLC); HMS1922J12; HMS2232F21; Pharmakon1600-01505322; HY-N6972; Tox21_111483; BBL030154; BDBM50423643; CCG-40294; MFCD00210482; NSC758965; s4238; STK801907; ZINC30726863; AKOS004119865; Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-; Tox21_111483_1; MCULE-4243165865; NSC-758965; SDCCGMLS-0066893.P001; NCGC00161621-01; NCGC00161621-02; NCGC00161621-03; NCGC00161621-05; NCGC00161621-13; AC-15206; AS-17451; SMR000445632; SBI-0207049.P001; CS-0007138; V0178; C09391; D01035; AB00643356_08; AB00643356_09; 481C492; A871948; Q-100524; SR-01000779734-3; SR-01000779734-4; BRD-K96194081-001-06-0; Q15410888; 6',12'-Dimethoxy-2,2'-dimethyl-6,7-[methylenebis-(oxy)]oxyacanthan; Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))- (9CI); (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene; (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2  ,  .1 ,  .1  ,  .0 , .0  ,  .0  ,  ]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758965	.	.	.	.	606.7	C37H38N2O6	61.9	994	6.5	45	0	8	2	"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1"	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3	YVPXVXANRNDGTA-WDYNHAJCSA-N
DG50247	"2-Hydroxy-3-methyl-1,4-naphthoquinone"	10221	"Phthiocol; 2-Hydroxy-3-methyl-1,4-naphthoquinone; 483-55-6; Phthiokol; 2-Methyl-3-hydroxy-1,4-naphthoquinone; 3-Hydroxy-2-methyl-1,4-naphthoquinone; UNII-8R72C50E69; 1,4-Naphthoquinone, 2-hydroxy-3-methyl-; 1,4-Naphthalenedione, 2-hydroxy-3-methyl-; NSC11897; 1,4-Naphthalenedione, 2-hydroxy-3-methyl- (9CI); 8R72C50E69; EINECS 207-594-2; NSC 11897; BRN 1868473; 4-hydroxy-3-methylnaphthalene-1,2-dione; Q 1212; 2-Hydroxy-3-methylnaphthalene-1,4-dione; 1,2-Naphthalenedione, 4-hydroxy-3-methyl-; NCIMech_000021; 1, 2-hydroxy-3-methyl-; 4-08-00-02375 (Beilstein Handbook Reference); MLS001049113; SCHEMBL112795; 2-hydroxy-3-methyl-1,4-dihydronaphthalene-1,4-dione; CHEMBL158364; ZINC1936; DTXSID80876664; WLN: L66 BV EVJ CQ D1; 2-Hydroxy-3-methylnaphthoquinone #; CCG-35375; NSC-11897; AKOS006271750; MCULE-8423798363; 2-ME-3-OH-1,4-NAPHTHOQUINONE; 3-Methyl-4-hydroxy-1,2-naphthoquinone; 49797-54-8; NCI60_000454; Q275; SMR000386945; 2-hydroxy-3-methyl-naphthalene-1,4-dione; CS-0148695; SR-01000631229-1; Q27270921"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11897	.	.	.	.	188.18	C11H8O3	54.4	327	1.2	14	1	3	0	"InChI=1S/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,12H,1H3"	CC1=C(C2=CC=CC=C2C(=O)C1=O)O	BGVCGTNXEKDVCB-UHFFFAOYSA-N
DG50248	Bialamicol	10304	"BIALAMICOL; Camoform; Biallylamicol; 493-75-4; UNII-TA5NM093QJ; Bialamicol hydrochloride; CT 871; Camoform hydrochloride; TA5NM093QJ; PAA-701; GNF-Pf-4303; Biallylamicol hydrochloride; PAA 701 dihydrochloride; Biallylamicol dihydrochlorde; 2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol; CAM-807; CI 301; Bialamicolum; NSC6386; CI-301; Bialamicol [INN:BAN]; 3624-96-2; Bialamicolum [INN-Latin]; (1,1'-Biphenyl)-4,4'-diol, 3,3'-bis((diethylamino)methyl)-5,5'-di-2-propenyl-; [1,1'-Biphenyl]-4,4'-diol, 3,3'-bis[(diethylamino)methyl]-5,5'-di-2-propenyl-; PAA 701; SN 6771; SCHEMBL483160; CHEMBL1197792; DTXSID60197763; CHEBI:135712; 5,5'-Diallyl-3,3'-bis(diethylaminomethyl)-4,4'-diphenyldiol; ZINC4215006; 5,5'-Diallyl-alpha,alpha'-bis(diethylamino)-n,n'-bitolyl-4,4'-diol; AKOS024263956; SN-6771; 3,3'-Bis((diethylamino)methyl)-5,5'-di-2-propenyl-(1,1'-biphenyl)-4,4'-diol; NCI60_012898; Q27289865; 3,3'-Diallyl-5,5'-bis[(diethylamino)methyl][1,1'-biphenyl]-4,4'-diol #; 5,5'-Diallyl-.alpha.,.alpha.'-bis(diethylamino)-m,m'-bitolyl-4,4'-diol; 2-allyl-4-[3-allyl-5-(diethylaminomethyl)-4-hydroxy-phenyl]-6-(diethylaminomethyl)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6386	.	.	.	.	436.6	C28H40N2O2	46.9	498	6.1	32	2	4	13	"InChI=1S/C28H40N2O2/c1-7-13-21-15-23(17-25(27(21)31)19-29(9-3)10-4)24-16-22(14-8-2)28(32)26(18-24)20-30(11-5)12-6/h7-8,15-18,31-32H,1-2,9-14,19-20H2,3-6H3"	CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CN(CC)CC)O)CC=C	DQNIWUUHJSXGHW-UHFFFAOYSA-N
DG50249	Podofilox	10607	"podophyllotoxin; Podofilox; 518-28-5; Condylox; Condyline; (-)-Podophyllotoxin; Wartec; Podophyllinic acid lactone; Podophyllotoxin 7; Warticon; Podophyllum; Podofilox [USAN]; UNII-L36H50F353; NSC24818; CHEMBL61; MFCD00075290; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; MLS000069495; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; CHEBI:50305; Podofilox (USAN); NSC-24818; L36H50F353; NCGC00022001-05; Podofilm; SMR000059121; NSC 24818; DSSTox_CID_25645; DSSTox_RID_81023; DSSTox_GSID_45645; (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; Podocon-25; Podophilox; (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; CCRIS 565; HSDB 7238; SR-05000001749; MLS002702981; EINECS 208-250-4; Podofillina; Podophylotoxin; AI3-50456; Mayapple isolate; Condylox (TN); (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; CAS-518-28-5; Podophyllotoxin,(S); Prestwick_1018; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))-; Podofillina [Italian]; Podophyllotoxin (BAN); Podophyllotoxin, 95%; Spectrum_000199; Opera_ID_1397; Prestwick0_000782; Prestwick1_000782; Prestwick2_000782; Prestwick3_000782; Spectrum2_000878; Spectrum4_000592; Spectrum5_001368; UPCMLD-DP035; SCHEMBL42243; BSPBio_000884; BSPBio_002352; KBioGR_001084; KBioSS_000679; MLS001148204; MLS002172467; MLS006010754; MLS006011412; BIDD:GT0123; DivK1c_000292; UNII-16902YVY2B; SPBio_000955; SPBio_002823; BPBio1_000974; CCRIS 4391; DTXSID3045645; UPCMLD-DP035:001; UPCMLD-DP035:002; BCBcMAP01_000165; HMS500O14; KBio1_000292; KBio2_000679; KBio2_003247; KBio2_005815; AMY2648; NINDS_000292; 16902YVY2B; HMS1570M06; HMS2093P16; HMS2097M06; HMS2235A23; HMS3259J19; HMS3714M06; Pharmakon1600-02300332; (5R,5aR,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; 9-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one; ALBB-020906; BCP24085; Podophyllotoxin, analytical standard; ZINC3861806; EINECS 232-546-2; Tox21_110874; Tox21_202922; B18-5C; BBL033695; BDBM50035218; CCG-39894; NSC759591; STK801918; AKOS000265559; Tox21_110874_1; AC-1656; CS-1185; DB01179; KS-1281; MCULE-9617461427; NC00675; ND-1185; NSC-759591; SDCCGMLS-0066888.P001; IDI1_000292; SMP1_000243; NCGC00022001-03; NCGC00022001-07; NCGC00022001-08; NCGC00022001-09; NCGC00022001-10; NCGC00022001-11; NCGC00022001-13; NCGC00022001-14; NCGC00260468-01; (5R,9R,5aR,8aR)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,5a,8a-pentahydro-2H -isobenzofurano[5',6'-2,1]benzo[4,5-d]1,3-dioxolan-6-one; 1,3,3a,4,9,9a-Hexahydro-9-hydroxy-6,7-(methylenedioxy)-4-(3',4',5'-trimethoxyphenyl)benz(f)isobenzofuran-3-one; HY-15552; NCI60_001981; RD4-6269; EN300-52746; D05529; P-6980; 518P285; A828801; Q421193; SR-01000003030; SR-01000003030-3; SR-05000001749-1; SR-05000001749-2; BRD-K47869605-001-05-6; BRD-K47869605-001-18-9; Z1258578359; (10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0 , .0  ,  ]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 11016-28-7; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]; furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24818	.	.	.	.	414.4	C22H22O8	92.7	629	2	30	1	8	4	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O	YJGVMLPVUAXIQN-XVVDYKMHSA-N
DG50250	Dichloromethotrexate	10713	"Dichloroamethopterin; DICHLOROMETHOTREXATE; Methotrexate, dichloro-; NSC 29630; 3,5-Dichloromethotrexate; 528-74-5; 3',5'-Dichloroamethopterin; Amethopterin, 3',5'-dichloro-; NCI-C04875; 3',5'-Dichloromethotrexate; 3988 B 129-4; 3988-B-129-4; UNII-29NS58S465; 3',5'-Dichloro-4-amino-4-deoxy-N(sup10)-methylpteroglutamic acid; N-(3,5-Dichloro-4-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)glutamic acid; 29NS58S465; NSC-29630; (3,5-dichloro-4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid; L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-; CCRIS 4602; BRN 0073523; NSC29630; 3',5'-Dichloro-4-amino-4-deoxy-N(sup 10)-methylpteroglutamic acid; N-(3,5-dichloro-4-((2,4-diamino-6-pteridinyl)methyl)methyl)methylaminobenzoylglutamic acid; 4-26-00-03834 (Beilstein Handbook Reference); CHEMBL3137680; DTXSID3024996; SCHEMBL10653854; ZINC2015690; Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid; 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid; Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L- (8CI); Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-; L-Glutamic acid, N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9CI); L-Glutamic acid, N-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3,5-dichlorobenzoyl]-; N-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- L-Glutamic acid; N-(3,5-Dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl)glutamic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29630	.	.	.	.	523.299	C20H20Cl2N8O5	211	770	-0.1	35	5	12	9	"InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl	MCEHFIXEKNKSRW-LBPRGKRZSA-N
DG50251	Acetylenedicarboxamide	10971	Cellocidin; ACETYLENEDICARBOXAMIDE; 2-Butynediamide; 543-21-5; Lenamycin; but-2-ynediamide; Aquamycin; Renamycin; Acetylene dicarboxamide; Acetylenedicarboxylic acid diamide; Acetylendicarbonsaeureamid; NSC65381; NSC 65381; UNII-1K327HA41T; NSC-65381; CHEBI:51763; 1K327HA41T; WLN: ZV1UU1VZ; Acetylendicarbonsaeureamid [German]; NSC 38643; BRN 1756134; Acetylendicarboxamid; NCIMech_000799; But-2-ynedioic acid diamide; SCHEMBL1003846; CHEMBL1978380; DTXSID1060261; NSC38643; ZINC1670806; CCG-35858; MFCD00017146; NSC#65381; NSC-38643; AKOS004907748; MCULE-4585775503; NSC# 65381; NCI60_003686; NCI60_018708; 5-SULFO-2-AMINOBENZOICACIDSODIUMSALT; DB-007232; FT-0602756; A830097; Q5058318; 102489-37-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38643	.	.	.	.	112.09	C4H4N2O2	86.2	165	-1.2	8	2	2	0	"InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)"	C(#CC(=O)N)C(=O)N	JBTGHKUTYAMZEZ-UHFFFAOYSA-N
DG50252	Agrocybin	11004	"Agrocybin; 8-Hydroxy-2,4,6-octatriynamide; 8-hydroxyocta-2,4,6-triynamide; UNII-A0AFV4JUIT; 544-44-5; A0AFV4JUIT; NSC636326; BRN 1761957; 2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-; 4-03-00-01047 (Beilstein Handbook Reference); SCHEMBL1654320; CHEMBL1967731; DTXSID20202786; ZINC5722724; LMFA08010027; AKOS006341004; NSC-636326; NCI60_012071"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	636326	.	.	.	.	147.13	C8H5NO2	63.3	341	-0.3	11	2	2	2	"InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)"	C(C#CC#CC#CC(=O)N)O	OXONWCQUZYDTNF-UHFFFAOYSA-N
DG50253	Quinine (Hydrobromide)	11068	"Quinine (Hydrobromide); MLS002638287; NSC12865; Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8alpha,9R)- (9CI); Quinine, hydrate; Quinine, hydrobromide, hydrate; SCHEMBL1694090; CHEMBL1881104; NSC-12865; SMR001547776; 4-Quinolinemethanol, 6-methoxy-.alpha.-5-vinyl-2-quinuclidinyl hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12865	.	.	.	.	405.3	C20H25BrN2O2	45.6	457	.	25	2	4	4	"InChI=1S/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H"	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br	HDZGBIRSORQVNB-UHFFFAOYSA-N
DG50254	Resazurin	11077	"RESAZURIN; Diazoresorcinol; 550-82-3; Azoresorcin; Resazurine; Resazoin; 7-Hydroxy-3H-phenoxazin-3-one 10-oxide; Alamar blue; UNII-1FN9YD6968; 7-hydroxy-10-oxidophenoxazin-10-ium-3-one; 3H-Phenoxazin-3-one, 7-hydroxy-, 10-oxide; 7-Hydroxy-3-oxo-3H-phenoxazine 10-oxide; CHEBI:8806; 1FN9YD6968; 153796-08-8; Resazurinsodiumsalt; 3H-Phenoxazin-3-one, 10-oxide; WLN: T C666 BN FV IOJ BO LQ; EINECS 208-987-1; NSC 10438; BRN 0221382; 7-Hydroxy-3H-fenoxazin-3-on-10-oxid [Czech]; 7-Hydroxy-3H-fenoxazin-3-on-10-oxid; MolMap_000044; SCHEMBL6338; 4-27-00-03594 (Beilstein Handbook Reference); SCHEMBL1502340; CHEMBL1616414; DTXSID4060280; NSC10438; NSC56323; ZINC3793896; MFCD00066739; NSC-10438; NSC-56323; 7-hydroxy-3h-phenoxazin-3-one-10-oxide; BS-28553; NCI60_000106; 7-hydroxy-10-oxido-phenoxazin-10-ium-3-one; D84267; Q409628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10438	.	.	.	.	229.19	C12H7NO4	75.3	463	-0.1	17	1	4	0	"InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H"	C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-]	PLXBWHJQWKZRKG-UHFFFAOYSA-N
DG50255	Thonzonium bromide	11102	"THONZONIUM BROMIDE; 553-08-2; Thonzonium (bromide); Tonzonium bromide; Thonzide; UNII-JI2B19CR0R; NC 1264; JI2B19CR0R; MLS002154065; N-(2-((4-Methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-N,N-dimethylhexadecan-1-aminium bromide; NSC-5648; hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide; SMR001233380; Tonzonium bromide (INN); Tonzonium bromide [INN]; DSSTox_CID_25326; DSSTox_RID_80805; DSSTox_GSID_45326; Tonzonii bromidum; Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium bromide; Hexadecyl(2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl)dimethylammonium bromide; Bromuro de tonzonio; Bromure de tonzonium; SR-01000841261; NCGC00016507-01; CAS-553-08-2; Tonzoniumbromid; Nebair; Tonzonii bromidum [INN-Latin]; Thonzonium bromide [USAN:USP]; Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide; Bromure de tonzonium [INN-French]; Bromuro de tonzonio [INN-Spanish]; Thonzide (TN); NSC 5648; EINECS 209-032-1; Thonzonium Bromide (USAN); SCHEMBL60801; C32H55N4O.Br; REGID_for_CID_11102; CHEMBL1200883; DTXSID1045326; NSC5648; HMS1570J12; HMS2097J12; HMS2234H11; HMS3714J12; Pharmakon1600-01503873; HY-B1246; Tox21_110463; 2755AH; MFCD00133855; NSC760359; AKOS026750378; Tox21_110463_1; CCG-213228; CS-4957; NC-1264; NSC-760359; SB60438; NCGC00016507-05; D02140; A913807; Q7795979; SR-01000841261-2; SR-01000841261-3; Cetyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide; Ammonium, hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, bromide (8CI); HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUM BROMIDE; HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUMBROMIDE; 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5648	.	.	.	.	591.7	C32H55BrN4O	38.2	515	.	38	0	5	22	"InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]	WBWDWFZTSDZAIG-UHFFFAOYSA-M
DG50256	p-Toluquinone	11122	"p-Toluquinone; 553-97-9; Methyl-p-benzoquinone; 2-METHYL-1,4-BENZOQUINONE; 2-methylcyclohexa-2,5-diene-1,4-dione; Toluquinone; 2-Methyl-p-benzoquinone; Methyl-1,4-benzoquinone; Tolylquinone; 2-Methylbenzoquinone; 2-Methylquinone; Methylbenzoquinone; 1,4-Toluquinone; Methylquinone; p-Benzoquinone, 2-methyl-; 2,5-Cyclohexadiene-1,4-dione, 2-methyl-; 2-Methyl-1,4-quinone; 2-Methylbenzoquinone-1,4; 1,4-Toluchinon; 2-Methyl-2,5-cyclohexadiene-1,4-dione; UNII-VF06HB6AZN; 2-Methyl-1,4-benzochinon; 2-Methyl-[1,4]benzoquinone; NSC 405002; VF06HB6AZN; MFCD00001603; para-Toluquinone; 2,4-dione, 2-methyl-; WLN: L6V DVJ B1; Methyl-p-benzoquinone, 99%; Toluquinone (VAN); 1,4-Toluchinon [Czech]; CCRIS 7148; 1,4-Benzoquinone, 2-methyl-; HSDB 5495; 2-Methyl-1,4-benzochinon [Czech]; EINECS 209-056-2; 2-Methylbenzo-1,4-quinone; Toluchinon; AI3-14931; Methyl-p-quinone; 2-Methyl-p-quinone; 2-methyl benzoquinone; NSC1; NSC-1; SCHEMBL49207; Methyl-p-benzoquinone, 98%; 2-Methylbenzo-1,4-quinone #; CHEMBL358225; DTXSID8060290; 2-methyl-1,4-benzoquinone, 9; BDBM24780; ZINC80829; BBL037012; NSC405002; STK006340; AKOS000492981; MCULE-9650878933; NSC-405002; AS-15293; O815; 3-CHLORO-2-HYDROXYPROPYLMETHACRYLATE; FT-0652794; M0159; T1244; A830622; W-105565; Q27291795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1	.	.	.	.	122.12	C7H6O2	34.1	221	0.7	9	0	2	0	"InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3"	CC1=CC(=O)C=CC1=O	VTWDKFNVVLAELH-UHFFFAOYSA-N
DG50257	"2,2'-Bioxirane"	11254	"2,2'-Bioxirane; Diepoxybutane; 1,3-Butadiene diepoxide; 1464-53-5; Butadiene diepoxide; Butadiene dioxide; Dioxybutadiene; Bioxirane; Butane diepoxide; 1,2:3,4-DIEPOXYBUTANE; Bioxiran; 2-(oxiran-2-yl)oxirane; Butadiendioxyd; 1,2:3,4-Butadiene diepoxide; Butane, 1,2:3,4-diepoxy-; 1,2,3,4-Diepoxybutane; RCRA waste number U085; 1,1'-Bi(ethylene oxide); 1,1'-Bi[ethylene oxide]; Erythritol anhydride; CB 1181; NSC 629; Threitol, 1,2:3,4-dianhydro-; R 181; ENT-26592; M 8838; D,L-Diepoxybutane; CHEBI:23704; D,L-1,2:3,4-Diepoxybutane; 298-18-0; UNII-60OB65YNAB; Butadiendioxyd [German]; 2,2'-Bioxirane, (2R,2'R)-rel-; CCRIS 234; Butane,2:3,4-diepoxy-; HSDB 4046; EINECS 215-979-1; RCRA waste no. U085; WLN: T3OTJ B- BT3OTJ; BRN 0079833; 1,2,3,4-Diepoxybutane DL; AI3-26592; 564-00-1; 1,4-Diepoxybutane; 2,4-Diepoxybutane; 2,2'-Bioxirane, (R*,R*)-(.+/-.)-; 1,3,4-Diepoxybutane; 1,2:3,4-dianhydrothreitol; Threitol,2:3,4-dianhydro-; 5-19-01-00185 (Beilstein Handbook Reference); NSC629; CHEMBL1964283; DTXSID0041307; 1,3-Butadiene diepoxide, 97%; ZFIVKAOQEXOYFY-UHFFFAOYSA-; NSC-629; 5-(DimEtNmEt)furfuryl alcohol HCl; (A+/-)-1,2;3,4-diepoxy-butane; AKOS017342854; NCI60_009412; 1,3-Butadiene diepoxide, analytical standard; B0234; D3410; FT-0606590; Butane, 1,2:3,4-diepoxy-, (.+/-.)-; J-503880; J-640017; J-800012; Q5274970; ERYTHRITHOL ANHYDRIDE (OLD NAME); 1,3-BUTADIENE DIEPOXIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629	.	.	.	.	86.09	C4H6O2	25.1	61.9	-0.5	6	0	2	1	"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2"	C1C(O1)C2CO2	ZFIVKAOQEXOYFY-UHFFFAOYSA-N
DG50258	C.I. Basic Red 9	11293	"C.I. Basic Red 9; 479-73-2; UNII-20N4C0M8NM; Parafuchsin; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline; MLS002701900; 20N4C0M8NM; CHEBI:75372; Parasaniline; ParaMagenta; Para Magenta; SMR001565485; NSC10460; 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline; Homolka's Base; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidiene)methyl]-; NSC-10460; Benzenamine, 4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]bis-, hydrochloride (1:1); Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidiene)methyl)-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-; pararosaniline free base; Neuro_000010; NCIStruc1_001010; NCIStruc2_000958; cid_11293; SCHEMBL825929; CHEMBL1368322; DTXSID5043845; BDBM93926; NCI10460; ZINC3861799; CCG-36728; NCGC00013110; STL257089; AKOS022135417; MCULE-9081723405; NCGC00013110-02; NCGC00096231-01; NCI60_000112; Q421256; 4-(4,4'-diamino-benzhydrylidene)-cyclohexa-2,5-dienone-imine; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)phenylamine; 4-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]aniline; [4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine; 4-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10460	.	.	.	.	287.4	C19H17N3	75.9	457	3.3	22	3	3	2	"InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2"	C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N	AFAIELJLZYUNPW-UHFFFAOYSA-N
DG50259	"2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one"	11424	"4-methyltropolone; 2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one; 583-80-2; NSC628999; 4-Methyl-tropolone; BRN 2040642; 6-Methyltropolone; 2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one; 4-08-00-00314 (Beilstein Handbook Reference); SCHEMBL4160338; CHEMBL1987832; SCHEMBL16812095; DTXSID90207026; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-METHYL-; ZINC2034665; NSC-628999; NCI60_009411; 2-Hydroxy-6-methyl-2,4,6-cycloheptatrien-1-one; 2-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628999	.	.	.	.	136.15	C8H8O2	37.3	244	1.4	10	1	2	0	"InChI=1S/C8H8O2/c1-6-3-2-4-7(9)8(10)5-6/h2-5H,1H3,(H,9,10)"	CC1=CC(=O)C(=CC=C1)O	OTXSBWFUHZIFLR-UHFFFAOYSA-N
DG50260	"1-Bromo-2,4-dinitrobenzene"	11441	"1-Bromo-2,4-dinitrobenzene; 584-48-5; 2,4-Dinitrobromobenzene; 4-Bromo-1,3-dinitrobenzene; o,p-Dinitrophenyl bromide; 2,4-Dinitrophenyl bromide; BENZENE, 1-BROMO-2,4-DINITRO-; DNBB; 1-bromo-2,4-dinitro-benzene; 2, 4-Dinitrobromobenzene; 1-Bromo-2,4-dinitrobenze; UNII-4MS3FTW380; 4MS3FTW380; CCRIS 1801; NSC 3808; EINECS 209-539-8; AI3-01803; 2,4-dinitro-bromobenzene; bromo-2,4-dinitrobenzene; 2-bromo-1,5-dinitrobenzene; 1-Bromo-2.4-dinitrobenzene; SCHEMBL399325; DTXSID3060403; CHEBI:58999; NSC3808; NSC-3808; ZINC1672863; 1-Bromo-2,4-dinitrobenzene, 97%; BR1306; MFCD00041873; AKOS005258872; AS00266; MCULE-1508660839; AC-10400; AS-58751; K933; DB-010845; D2701; FT-0632441; W-203191; Q27126388; 7238-15-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3808	.	.	.	.	247	C6H3BrN2O4	91.6	224	2.2	13	0	4	0	InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br	PBOPJYORIDJAFE-UHFFFAOYSA-N
DG50261	Megestrol acetate	11683	"MEGESTROL ACETATE; 595-33-5; Megace; Megace ES; Niagestin; Megestryl acetate; Megeron; Megestat; Ovaban; Ovarid; Maygace; Pallace; Magestin; BDH 1298; SC 10363; NSC-71423; Volidan; SC10363; UNII-TJ2M0FR8ES; 17alpha-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate; 17alpha-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17alpha-acetoxyprogesterone; 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione 17-acetate; 17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione; 17-(acetyloxy)-6-methylpregna-4,6-diene-3,20-dione; 6-Methyl-17alpha-hydroxy-delta(sup 6)-progesterone acetate; TJ2M0FR8ES; [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate; 6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate; SC-10363; MLS000028633; Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-; BDH1298; BDH-1298; SMR000058691; DSSTox_CID_20683; DSSTox_RID_79539; DSSTox_GSID_40683; Megestil; 6-Methyl-17alpha-acetoxypregna-4,6-diene-3,20-dione; Ovaban (Veterinary); 6-Methyl-delta(sup 6)-dehydro-17alpha-acetoxyprogesterone; MegestrolAcetate; 6-Methyl-delta(sup 4,6)-pregnadien-17alpha-ol-3,20-dione acetate; (8xi,9xi,10xi,13xi,14xi)-6-methyl-3,20-dioxopregna-4,6-dien-17-yl acetate; 17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate; CCRIS 372; Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate; Megestrol-17-acetate; EINECS 209-864-5; Megestin; Megestrol acetole [Progestins]; Megestrol acetate [USAN:USP]; Megestrol acetole; Megestrol-Acetate; Megesterol acetate; 17-alpha-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17-alpha-acetoxyprogesterone; 6-Methyl-6-dehydro-17-alpha-acetoxyprogesterone; NCGC00016516-01; (8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate; CAS-595-33-5; Megace (TN); 17alpha-Acetoxy-6-methylpregna-4,6-diene-3,20-dione; 6-Methyl-17-alpha-acetoxypregna-4,6-diene-3,20-dione; 6-Methyl-17-alpha-hydroxy-delta(sup 6)-progesterone acetate; 6-Methyl-6-dehydro-17.alpha.-acetylprogesterone; 6-Methyl-delta(sup 6)-dehydro-17-alpha-acetoxyprogesterone; 6-Methyl-delta4,6-pregnadien-17alpha-ol-3,20-dione acetate; 17.alpha.-Acetoxy-6-dehydro-6-methylprogesterone; 6-Dehydro-6-methyl-17.alpha.-acetoxyprogesterone; 6-Methyl-6-dehydro-17.alpha.-acetoxyprogesterone; Megestrol acetate (USP); Opera_ID_1511; Prestwick0_000956; Prestwick1_000956; Prestwick2_000956; Prestwick3_000956; 6-Methyl-delta(sup 4,6)-pregnadien-17-alpha-ol-3,20-dione acetate; SCHEMBL745; BSPBio_000952; Megestrol 17.alpha.-acetate; MLS000759501; MLS001074091; MLS001424055; par-100,2; SPBio_003101; BPBio1_001048; CHEBI:6723; CHEMBL1201139; DTXSID9040683; BCPP000168; HMS1570P14; HMS2051I20; HMS2090N04; HMS2097P14; HMS2235D16; HMS3714P14; Nia; NSC71423; ZINC4097467; Tox21_110469; Tox21_302360; LMST02030118; MFCD00056470; s1304; AKOS015894927; Tox21_110469_1; BCP9000904; CCG-100899; CS-2065; DB00351; NC00149; 17-Acetoxy-6-methylpregna-4,20-dione; NCGC00024196-03; NCGC00024196-05; NCGC00255456-01; AC-24570; AS-13384; HY-13676; I040; 17.alpha.-Acetoxy-6-methyl-4,20-dione; AB00490013; B1377; 17-Hydroxy-6-methylpregna-4,20-dione acetate; 17.alpha.-Acetoxy-6-methylpregna-4,20-dione; C08151; D00952; D91560; AB00383046-13; AB00383046-14; AB00383046-15; AB00383046_16; Pregna-4,20-dione, 17-(acetyloxy)-6-methyl-; 595M335; A832354; SR-01000000258; Megestrol-17-acetate 100 microg/mL in Acetonitrile; Pregna-4,20-dione, 17-hydroxy-6-methyl-, acetate; Q-201346; Q6808975; SR-01000000258-4; BRD-K19507340-001-03-1; Megestrol acetate, VETRANAL(TM), analytical standard; 17alpha-Acetoxy-6-methyl-4,6-pregnadiene-3,20-dione; Megestrol acetate, analytical standard, for drug analysis; WLN: L E5 B666 OV KU MUTJ A1 E1 FV1 FOV1 L1; 6-Methyl-17.alpha.-hydroxy-.delta.(sup 6)-progesterone acetate; Megestrol acetate, European Pharmacopoeia (EP) Reference Standard; Megestrol acetate, United States Pharmacopeia (USP) Reference Standard; Megesgtrol Acetate, Pharmaceutical Secondary Standard; Certified Reference Material; Megestrol acetate for peak identification, European Pharmacopoeia (EP) Reference Standard; Megestrol acetate for system suitability, European Pharmacopoeia (EP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71423	.	.	.	.	384.5	C24H32O4	60.4	821	3.1	28	0	4	3	"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1"	CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C	RQZAXGRLVPAYTJ-GQFGMJRRSA-N
DG50262	"2-Chloro-1,3-dinitrobenzene"	11814	"2-Chloro-1,3-dinitrobenzene; 606-21-3; 2,6-DINITROCHLOROBENZENE; 1-Chloro-2,6-dinitrobenzene; Benzene, 2-chloro-1,3-dinitro-; 2-Chloro-1,3-dintrobenzene; 1,3-Dinitro-2-chlorobenzene; 2-chloro-1,3-dinitro-benzene; UNII-LG72RND0AB; MFCD00014689; LG72RND0AB; NSC21276; 1-Chloro-2,3-dinitrobenzene mixture; NSC 21276; HSDB 5432; EINECS 210-107-6; NSC 105590; BRN 0522187; 2, 6-Dinitrochlorobenzene; NCIOpen2_007358; 4-05-00-00744 (Beilstein Handbook Reference); 1-chloro-2, 6-dinitrobenzene; SCHEMBL1460867; CHEMBL2003074; DTXSID3041378; ACN-S003415; AMY20177; ZINC1577556; NSC-21276; NSC105590; STL371283; AKOS015917517; GS-3195; MCULE-8279622979; NSC-105590; SY002936; DB-024444; FT-0601940; 06C213; A832812; Q-200253; Q27282966; 1-Chloro-2,6-dinitrobenzene; 2,6-Dinitrochlorobenzene; 1-Chloro-2, 4-dinitrobenzene and 2-chloro-1,3-dinitrobenzene mixture"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21276	.	.	.	.	202.55	C6H3ClN2O4	91.6	202	1.8	13	0	4	0	InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]	BPPMIQPXQVIZNJ-UHFFFAOYSA-N
DG50263	CI-501 Pamoate	11870	"TCMDC-125837; CI 501; CI-501 Pamoate; C.I.-501; SCHEMBL537631; CHEMBL588912; WLN: Q B- 2; DTXSID40209737; NSC77830; NCI60_041716; 4,2-dihydro-2,2-dimethyl-s-triazine pamoate; 2-Naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, compd. with 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:2 with 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:2); 2-Naphthalenecarboxylic acid,4'-methylenebis[3-hydroxy-, compd. with 1-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:2); 2-Naphthoic acid,4'-methylenebis[3-hydroxy-, compd. with 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:2); 2-Naphthoic acid,4'-methylenebis[3-hydroxy-, compd. with s-triazine, 4,6-diamino-1-(p-chlorophenyl)-1,2-dihydro-2,2-dimethyl-; 4,2-dihydro-2,2-dimethyl-s-triazine compd. with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid (2:1); 4,2-dihydro-2,2-dimethyl-s-triazine compound (2:1) with 4,4'-methylenebis[3-hydroxy-2-naphthoic acid; WLN: L66J CQ DVQ B- 21 &621 T6N CN EN BHJ AR DG& B B DZ FZ & 2 &622 L66J CQ DV"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77830	.	.	.	.	640.1	C34H30ClN5O6	195	923	.	46	6	7	5	"InChI=1S/C23H16O6.C11H14ClN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);3-6H,1-2H3,(H4,13,14,15,16)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O	FFUCUNIBSOIVIA-UHFFFAOYSA-N
DG50264	Pharmakon1600-01500676	12420	SR-05000002064; Pharmakon1600-01500676; NSC-757425; Spectrum2_001084; Spectrum3_001097; Spectrum4_001926; Spectrum5_000849; BSPBio_002774; KBioGR_002272; DivK1c_000905; SPECTRUM1500676; SPBio_001128; SCHEMBL18922524; HMS502N07; KBio1_000905; KBio3_001994; NINDS_000905; HMS1921A22; HMS2092I06; CCG-39760; NSC757425; SDCCGMLS-0066608.P001; IDI1_000905; NCGC00178479-01; NCGC00178479-02; SBI-0051590.P003; AB00052153_02; SR-05000002064-1; SR-05000002064-2; BRD-A68930007-001-02-3; BRD-A68930007-001-03-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757425	.	.	.	.	584.7	C29H44O12	207	1080	-1.7	41	8	12	4	"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17 ,18+,19+,21 ,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3(C4[C@@H](C[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)CO)O)O)O)O	LPMXVESGRSUGHW-XPXORLBYSA-N
DG50265	Basic violet 14	12447	"Basic violet 14; 632-99-5; Fuchsin basic; Fuchsin; Rosaniline; MAGENTA; Basic magenta; Fuchsine; Basic fuchsine; Fuchsin, basic; C.I. Basic Violet 14; Rosaniline hydrochloride; Rose aniline; Magenta I; Rosaniline chloride; Rosanilinium chloride; Aizen magenta; Methyl fuchsin; Diamond Fuchsin; Mitsui Magenta; Diabasic magenta; Diamond fuchsine; Fuchsine A; Fuchsine G; Fuchsine N; Fuchsine Y; Fuchsine CS; Fuchsine HO; Magenta E; Magenta G; Magenta S; Magenta superfine; Fuchsine Crystals; Fuchsine RTN; Astra fuchsine B; Cerise B; Magenta DP; Magenta PN; Magenta Powder N; Calcozine magenta XX; Orient Basic Magenta; Calcozine fuchsine HO; Calcozine Magenta RTN; Magenta Large Crystals; CI Basic Violet 14; Rosaniline.HCl; Basic magenta E-200; Rosanilinium hydrochloride; Solvent Red 41; rosanilin; C.I. 42510; 12418 Red; Fuchsine base (monohydrochloride); CI 42510; UNII-8UUC89LHB2; CI Basic Violet 14, monohydrochloride; C.I. Basic Violet 14 monohydrochloride; NSC93739; 4-Amino-m-tolyl-bis(4-aminophenyl)methane chloride; 8UUC89LHB2; C.I. Basic Violet 14, monohydrochloride; 58969-01-0; CHEBI:87665; Aniline red; BASIC FUCHSIN HYDROCHLORIDE; DSSTox_CID_1246; Magenta supertine; MFCD00012569; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride; 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride; DSSTox_RID_76036; DSSTox_GSID_21246; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride; Magenta Super Fine; C-WR Violet 8; Calcozine Magenta RIN; Basic Fuchsine (VAN); Magenta base monohydrochloride;Basic Fuchsin monohydrochloride;Rosaniline Base monohydrochloride; CAS-632-99-5; CCRIS 366; Violet zasadita 14 [Czech]; Violet zasadita 14; NSC10466; Manufacture of magenta; HSDB 6192; Fuchsin, basic [USP]; WLN: L6Y DYJ AUYR DZ&R DZ C1& DUM &GH; NCGC00166015-01; EINECS 211-189-6; NSC 10466; NSC 93739; Fucsina; Fucsino; Rosaniline Dyes; AI3-18324; Basic Fuchsin (BV14) Magenta (C.I. 42510); Magentatrade mark; 2-Methyl-4,5-cyclohexadien-1-ylidene)methylene]dianiline hydrochloride; Benzenamine,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride; 2, .alpha.(sup4)-(p-aminophenyl)-.alpha.(sup4)-(4-imino-2,5-cyclohexadien-1-ylidene)-, monohydrochloride; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, hydrochloride (1:1); Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, hydrochloride (1:1); Basic blue 14; Magenta I [Magenta (containing C.I. Basic Red 9)]; (4-(4-Aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; MAGENTA CRYSTALS; Schiff Reagent Solution; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methylbenzenamine HCl; SCHEMBL23402; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; C20H19N3.HCl; Basic Violet 14 hydrochloride; Fuchsine basic monohydrochloride; CHEMBL1979636; DTXSID6021246; HY-B1539A; Tox21_112288; Tox21_202790; NSC-10466; NSC-93739; AKOS015902644; BASIC FUCHSIN, BIOLOGICAL STAIN; MCULE-3364364619; NCGC00260336-01; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2- methylbenzenamine monohydrochloride; Benzeneamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monohydrochloride; T322; CS-0013370; FT-0626556; C19252; F-7910; C.I. Basic Violet 14, monohydrochloride (8CI); Q419167; UNII-5P5C03819W component NIKFYOSELWJIOF-SVFFXJIWSA-N; [4-[bis(4-aminophenyl)methylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]azanium;chloride; 4-((4-AMINO-3-ME-PH)(4-AMINO-PH)METHYLENE)-2,5-CYCLOHEXADIEN-1-IMINIUM CHLORIDE; 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride; 4-[(4-amino-3-methylphenyl)(4-aminophenyl)methylidene]cyclohexa-2,5-dien-1-iminium chloride; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10466	.	.	.	.	337.8	C20H20ClN3	75.9	515	.	24	4	3	2	"InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,23H,21-22H2,1H3;1H"	CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl	AXDJCCTWPBKUKL-UHFFFAOYSA-N
DG50266	"4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline"	12448	"3248-93-9; Fuchsine Base; Rosaniline base; 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline; MAGENTA BASE; CI Solvent Red 41; C.I. Solvent Red 41; C.I. Basic Violet 14, free base; CI Basic Violet 41, free base; CI 42510B; rosanilin free base; UNII-I8F3948441; CHEMBL220998; CHEBI:87666; 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline; 4-((4-Aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methylbenzenamine; para-Rosaniline; Fuchsive base; I8F3948441; Fuchsin (basic); Magenta base; Rosaniline Base; Waxoline Red A; Waxoline Red A; Fuchsine HF Base; Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-; Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-; C.I. 42510 acetate; Brilliant Oil Crimson Base; 4-((4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-2-methylaniline; NSC5006; NSC10466; C.I. Solvent Red 41, monoacetate; HSDB 2955; NCGC00166015-01; EINECS 221-832-2; BRN 2814815; basic-fuchsin; C.I. Basic Violet 14- free base (parent); NCIMech_000176; o-Toluidine, 4-((p-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-; Neuro_000040; 2,4-Xylidine, alpha(sup 4)-(p-aminophenyl)-alpha(sup 4)-(4-imino-2,5-cyclohexadien-1-ylidene)-; SCHEMBL238220; CHEMBL4303311; DTXSID0043844; SCHEMBL14948114; ZINC5138592; BBL034707; BDBM50206428; CCG-35316; MFCD00055278; STL280466; 4-((4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-o-toluidine; AKOS022127403; ZINC100089805; MCULE-3096256630; NCGC00166015-02; NCI60_042092; DB-048226; FT-0634748; A821298; Q27159811; F8880-7574; 2-Methyl-4-[bis(4-aminophenyl)methylene]-2,5-cyclohexadiene-1-imine; 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline; 4-[(4-amino-phenyl)-(4-imino-cyclohexa-2,5-dienylidene)-methyl]-2-methyl-phenylamine; 4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline; 4-[(4-aminophenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]aniline; 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-aniline; Benzenamine, 4-[ (4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-; Benzenamine,4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5006	.	.	.	.	301.4	C20H19N3	75.9	515	3.7	23	3	3	2	"InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3"	CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N	YDCMWLQSPFTWCS-UHFFFAOYSA-N
DG50267	Brilliant green	12449	"Brilliant green; 633-03-4; Basic green 1; Malachite Green G; Emerald Green; Diamond Green G; Fast Green J; C.I. Basic Green 1; Brilliant Green B; Brilliant Green G; Brilliant Green P; Brilliant Green Y; Fast Green JJO; Brilliant Green GX; Brilliant Green YN; Brilliant Green BPC; Brilliant Green DSC; Brilliant Green Lake; Brilliant Green YNS; Basic Brilliant Green; Solid Green; Hidaco Brilliant Green; Basic Green V; Brilliant Green Aseptic; Brilliant Green Special; Brilliant Green Sulfate; Brilliant Lake Green Y; Aizen Diamond Green GH; Astra Diamond Green GX; Green EN; Brilliant Green Crystals; Basic Bright Green; Aizen Malachite Green GH; Deorlene Green JJO; Mitsui Brilliant Green GX; Basic Bright Green Sulfate; Brilliant Green Crystals H; Calcozine Brilliant Green G; Brilliant Green BP Crystals; Brilliant Green WP Crystals; ADC Brilliant Green Crystals; Tertrophene Brilliant Green G; Tokyo Aniline Brilliant Green; Brilliant Green B.P.; Avon Green A-4379; 12415 Green; C.I. 42040; UNII-G0L543D370; NSC-5011; Brilliant Tungstate Green Toner GT-288; CHEBI:88173; G0L543D370; [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;hydrogen sulfate; Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1); Astrazon Green D; (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate; Zelen brilantni; Brilliant-grun; Brilliant-grun [German]; Zelen brilantni [Czech]; Zelen smaragdova; Zelen smaragdova [Czech]; Zelen zasadita 1 [Czech]; Zelen zasadita 1; NSC5011; Zelen malachitova G [Czech]; Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, sulfate (1:1); Zelen malachitova G; CCRIS 1209; HSDB 6403; NCGC00166123-01; NSC 5011; EINECS 211-190-1; Verde brilhante; Vert Brilliant; Verde Brilliante; N-(4-((4-(diethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dienylidene)-N-ethylethanaminium hydrogensulfate; N,N,N',N'-Tetraaethyl-monoaminofuchsoniumhydrogensulfat; Malachit green, Reag.; CI 42040; DSSTox_CID_28626; DSSTox_RID_82896; DSSTox_GSID_48700; SCHEMBL49148; MLS006010016; CHEMBL1790039; DTXSID1048700; C.I. Basic Green 1 (8CI); AMY22375; Brilliant Green, analytical standard; Tox21_113095; AKOS000282984; Brilliant Green, Dye content ~90 %; MCULE-5451046836; (4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulfate; Ammonium, (4-(p-(diethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene) diethyl-,sulfate (1:1); CAS-633-03-4; LS-15197; N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium sulfate (1:1); SMR004701091; B0789; FT-0623198; Basic Green 1 100 microg/mL in Acetonitrile; 4-(2-N,N-Dimethylaminoethoxyl)-1-nitrobenzene; B-5500; D88692; Q427105; WLN: L6Y DYJ AUYR&R DN2&2& DUK2&2 &Q &S-O4; 5-Pyrimidinemethanol, a-(2-chlorophenyl)-a-(4-fluorophenyl)-; Ammonium,5-cyclohexadien-1-ylidene]diethyl-, sulfate (1:1); Brilliant Green, certified by the Biological Stain Commission; Ethanaminium,5-cyclohexadien-1-ylidene]-N-ethyl-, sulfate (1:1); 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate; N-(4-((4-(diethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium hydrogen sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5011	.	.	.	.	482.6	C27H34N2O4S	92.1	642	.	34	1	5	7	"InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]	NNBFNNNWANBMTI-UHFFFAOYSA-M
DG50268	Sordinol	12454	CLOPENTHIXOL; Sordinol; (Z)-Clopenthixol; 982-24-1; 2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol; N-746; AY 62021; NSC64087; Prestwick0_000998; Prestwick1_000998; SCHEMBL121819; SPBio_002986; CHEMBL3989892; DTXSID9048223; AKOS030242398; NCI60_013633; Q413000	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64087	.	.	.	.	401	C22H25ClN2OS	52	509	4.3	27	1	4	5	"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2"	C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	WFPIAZLQTJBIFN-UHFFFAOYSA-N
DG50269	Berberine chloride	12456	"berberine chloride; Berberine hydrochloride; 633-65-8; Natural Yellow 18; Benzodioxide; Berberinium chloride; Berberine HCl; Berberine (chloride); UNII-UOT4O1BYV8; Berberin  hydrochloride; 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride; MFCD00011939; UOT4O1BYV8; NSC-163088; MLS002702530; Natural Yellow 18 (chloride); CHEBI:31271; NSC163088; 633-65-8 (CHLORIDE); NSC-646666; DSSTox_CID_4602; Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, chloride; 5,6-Dihydro-9,10-dimethoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium chloride; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; DSSTox_RID_77465; DSSTox_GSID_24602; Berberinium chloride hydrate; CHEMBL12089; Berberine chloride [JAN]; GNF-PF-4545; 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium chloride; SMR001233240; NSC646666; Berberine chloride form; SR-01000711827; NCGC00016526-02; NCGC00016526-07; CAS-633-65-8; EINECS 211-195-9; NSC 163088; Berberine chloride, primary pharmaceutical reference standard; Berberinum; C20H18NO4.Cl; AI3-61834; CCRIS 8656; Prestwick_91; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride (1:1); Barberry Root Extract; NSC 646666; dimethoxy[ ] chloride; Berberine chloride (TN); Berberine Hydrochloride,(S); MLS002153890; SCHEMBL153906; SPECTRUM1500811; Berberine Hydrochloride Hydrate; DTXSID8024602; HMS500N07; CHEBI: 16118; HMS1569F14; HMS1921I18; HMS2096F14; HMS2210A06; HMS2235H16; HMS3336C05; HMS3373L14; HMS3655F20; Pharmakon1600-01500811; Tox21_110474; Tox21_200348; AC-118; CCG-39622; NSC757795; s2271; AKOS007930622; Tox21_110474_1; CS-3214; KS-5294; MCULE-7356741555; NSC-757795; 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride hydrate; Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride; NCGC00091896-01; NCGC00094858-01; NCGC00094858-02; NCGC00257902-01; 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride; HY-18258; SY076593; CAS: 638-65-8; B0450; FT-0622874; N1699; SW196403-2; A834344; Berberine chloride hydrate, technical, >=90% (AT); Q-100261; Q-100731; SR-01000711827-4; SR-01000711827-6; Z2768724441; Berberine chloride, British Pharmacopoeia (BP) Reference Standard; Berberine chloride, European Pharmacopoeia (EP) Reference Standard; Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride; Berberine chloride, United States Pharmacopeia (USP) Reference Standard; 5,6-dihydro-9,10-dimethoxy-1,3-benzodioxolo[5,6-a]benzo[g]quinolizinium chloride (1:1); Berberine Chloride, Pharmaceutical Secondary Standard; Certified Reference Material; Berbinium,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride; 16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15(20),16,18-octaen-13-ylium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163088	.	.	.	.	371.8	C20H18ClNO4	40.8	488	.	26	0	5	2	"InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]	VKJGBAJNNALVAV-UHFFFAOYSA-M
DG50270	Triphenyltin chloride	12540	"TRIPHENYLTIN CHLORIDE; Fentin chloride; 639-58-7; Chlorotriphenyltin; Chlorotriphenylstannane; Stannane, chlorotriphenyl-; Triphenylchlorotin; chloro(triphenyl)stannane; Brestanol; TPTC; Triphenylchlorostannane; Aquatin; Tinmate; Phenostat-C; General chemicals 8993; Aquatin 20 EC; Chlorotriphenyl tin; HOE 2872; GC 8993; LS 4442; NSC 1214; UNII-I1L80IDY27; NSC 43675; triphenylstannanylium;chloride; I1L80IDY27; NSC43675; WLN: G-SN-R&R&R; Tripenyltin chloride; Caswell No. 896D; Fentin chloride [ISO]; CCRIS 6325; HSDB 6404; C18H15ClSn; EINECS 211-358-4; EPA Pesticide Chemical Code 496500; TRIPHENYL TIN CHLORIDE; Fentin-chloride; AI3-25207; TRIPHENYLTIN(IV) CHLORIDE; Tin, chlorotriphenyl-,; triphenylstannylium chloride; chloranyl(triphenyl)stannane; DSSTox_CID_20733; Triphenyltin chloride, 95%; DSSTox_GSID_40733; SCHEMBL67729; DTXSID2040733; CHEBI:35036; NSC1214; NSC-1214; Tox21_303984; MFCD00000519; NSC-43675; AKOS015916192; ZINC169743172; NCGC00164354-01; NCGC00357207-01; CAS-639-58-7; M999; NCI60_004017; DB-054584; FT-0632721; A834590; Triphenyltin Chloride 1000 microg/mL in Methanol; Fentin chloride, PESTANAL(R), analytical standard; Q7843282; BRD-K78683072-001-01-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43675	.	.	.	.	385.5	C18H15ClSn	0	240	.	20	0	0	3	InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl	NJVOZLGKTAPUTQ-UHFFFAOYSA-M
DG50271	gamma-Thujaplicin	12649	"gamma-Thujaplicin; 5-Isopropyltropolone; 672-76-4; gamma-Thujaplicine; THUJAPLICIN, ALPHA; .gamma.-Thujaplicin; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; NSC43338; .gamma.-Thujaplicine; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one; NSC402794; 2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one; MLS002608534; MLS002702822; CHEMBL1275999; CHEBI:10578; NSC18805; 2-hydroxy-5-isopropyl-cyclohepta-2,4,6-trien-1-one; WLN: L7VJ BQ EY1&1; SMR001527281; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; NSC 18805; NSC 43338; NSC 402794; BRN 2044323; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-; AI3-28399; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-; Thujaplicin, .alpha.; THUJAPLICIN, A-; NCIMech_000101; 2-Hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone; 4-08-00-00495 (Beilstein Handbook Reference); DTXSID2060969; SCHEMBL10668692; ZINC899531; BDBM50330795; CCG-35377; NSC-18805; NSC-43338; AKOS006276241; NSC-402794; NCI60_001566; FT-0657915; C09905; A835689; 2-Hydroxy-5-isopropylcyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one; Q27108661; 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one #; 2-hydroxy-5-propan-2-yl-1-cyclohepta-2,4,6-trienone; 2-oxidanyl-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18805	.	.	.	.	164.2	C10H12O2	37.3	280	1.9	12	1	2	1	"InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC=C(C(=O)C=C1)O	WKEWHSLZDDZONF-UHFFFAOYSA-N
DG50272	2-Piperidone	12665	"2-Piperidone; piperidin-2-one; 675-20-7; 2-Piperidinone; DELTA-VALEROLACTAM; Piperidone; Valerolactim; 5-Pentanolactam; Piperidinone; Piperidon; Valerolactam; alpha-Piperidone; Piperidone-2; PIPERIDONE,2-; 2-Azacyclohexanone; .alpha.-Piperidone; Piperidon [German]; Pentanoic acid, 5-amino-, lactam; .delta.-Valerolactam; UNII-WLN0GQQ6EK; 2-oxopiperidine; A-Piperidone; 2-oxo-piperidine; NSC 2305; NSC 18894; WLN0GQQ6EK; MFCD00006037; 2-Piperidinone, homopolymer; CHEMBL12193; CHEBI:77761; NSC18894; Piperidon (german); Pentanoic acid, lactam; WLN: T6NVTJ; Piperidones; Piperidone-2 [French]; d-Valerolactam; 25036-00-4; EINECS 211-622-9; ketopiperidine; oxopiperidine; 5-pentanelactam; 2-piperadinone; AI3-33342; d-Valero-lactam; piperadine-2-one; piperidine-2-one; V1L; 5-amino-lactam-Pentanoate; delta-Valerolactam, 98%; BDBM10; 27154-43-4; 5-amino-lactam-Pentanoic acid; piperidin-2-one;2-Piperidone; DTXSID1060976; NSC2305; BCP00878; NSC-2305; ZINC3860817; BBL027557; NSC-18894; STL281850; AKOS005206867; ACN-029774; CS-W022933; HY-W042193; MCULE-9168245534; SB41073; AC-15619; AC-33837; NCI60_001574; SY011119; DB-031244; A9047; AM20100626; FT-0613368; P0455; EN300-24025; F10312; 675V207; Q4596918; W-104710; F0001-1780; Z1201023039"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18894	.	.	.	.	99.13	C5H9NO	29.1	80.1	-0.5	7	1	1	0	"InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)"	C1CCNC(=O)C1	XUWHAWMETYGRKB-UHFFFAOYSA-N
DG50273	Dibutyltin dichloride	12688	"DIBUTYLTIN DICHLORIDE; 683-18-1; Dibutyldichlorostannane; Stannane, dibutyldichloro-; Di-n-butyltin dichloride; Dibutyldichlorotin; Dibutyltin chloride; Dichlorodibutyltin; dibutyl(dichloro)stannane; Dichlorodibutylstannane; Dibutyl tin dichloride; Chlorid di-n-butylcinicity; Di-n-butyl-zinn-dichlorid; UNII-J4AQN88R8P; Stannane, dibutyldichloro; J4AQN88R8P; DSSTox_CID_7292; DSSTox_RID_78390; DSSTox_GSID_27292; Dibutylstannium dichloride; C8H18Cl2Sn; Tin, dibutyl-, dichloride; CAS-683-18-1; CCRIS 6321; HSDB 6071; Chlorid di-n-butylcinicity [Czech]; NSC 2604; Di-n-butyl-zinn-dichlorid [German]; EINECS 211-670-0; dibutyl tin chloride; MFCD00000518; Bu2SnCl2; dibutyl-tin-dichloride; (DBTC); EC 211-670-0; Dibutyltin dichloride, 96%; SCHEMBL37123; dibutyl-bis(chloranyl)stannane; D.B.T.C.; WLN: G-SN-G4&4; DTXSID8027292; NSC2604; NSC-2604; Tox21_201675; Tox21_303112; AKOS015839512; ZINC169743073; NCGC00164348-01; NCGC00164348-02; NCGC00164348-03; NCGC00257160-01; NCGC00259224-01; M266; NCI60_002078; DB-055133; FT-0632794; D95356; Dibutyltin dichloride, purum, >=97.0% (AT); A836096; Q18411326"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2604	.	.	.	.	303.84	C8H18Cl2Sn	0	84.1	.	11	0	0	6	"InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2"	CCCC[Sn](CCCC)(Cl)Cl	RJGHQTVXGKYATR-UHFFFAOYSA-L
DG50274	"Fluoren-2-amine, 1,3,7-tribromo-"	12885	"1,3,7-Tribromo-9H-fluoren-2-amine; 724-31-2; 1,3,7-Tribromo-2-fluorenamine; FLUOREN-2-AMINE, 1,3,7-TRIBROMO-; NSC56677; 1,3,7-Tribromo-9H-fluoren-2-ylamine; NSC 56677; BRN 2741380; 9H-Fluoren-2-amine, 1,3,7-tribromo-; 3-12-00-03294 (Beilstein Handbook Reference); 1,7-Tribromo-2-fluorenamine; 1,7-Tribromofluoren-2-amine; CHEMBL1996129; 1,3,7-Tribromofluoren-2-amine; Fluoren-2-amine,3,7-tribromo-; DTXSID70222696; ZINC1687554; 9H-Fluoren-2-amine,3,7-tribromo-; NSC-56677; AKOS024432016; MCULE-2705152283; WLN: L B656 HHJ DE EZ FE LE; NCI60_004384; 9H-Fluoren-2-amine, 1,3,7-tribromo- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56677	.	.	.	.	417.92	C13H8Br3N	26	298	4.9	17	1	1	0	"InChI=1S/C13H8Br3N/c14-7-1-2-8-6(3-7)4-10-9(8)5-11(15)13(17)12(10)16/h1-3,5H,4,17H2"	C1C2=C(C=CC(=C2)Br)C3=CC(=C(C(=C31)Br)N)Br	DESWTTXWHWPCJD-UHFFFAOYSA-N
DG50275	Fluorodopan	13268	"Fluorodopan; Ftordopan; Fluoropan; Fluorothane; Fluorpan; Ftorpan; 834-91-3; NSC 73754; UNII-O1EXJ975PT; O1EXJ975PT; 5-[2-chloroethyl(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione; 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyl-2,4(1H,3H)-pyrimidinedione; 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methyluracil; Uracil, 5-((2-chloroethyl)-(2-fluoroethyl)amino)-6-methyl-; NSC73754; Fluorodopane; Ftordopane; Uracil, 5-[(2-chloroethyl)-(2-fluoroethyl)amino]-6-methyl-; NCIOpen2_003853; CHEMBL450727; ZINC1469; SCHEMBL13840898; DTXSID60232320; Uracil, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl-; NSC-73754; 2,4(1H,3H)-Pyrimidinedione, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl-; NCI60_041616; 2,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-6-methyl-; 2,4(1H,3H)-Pyrimidinedione, 5-((2-chloroethyl)(2-fluoroethyl)amino)-6-methyl- (9CI); 5-((2-Chloroethyl)(2-fluoroethyl)amino)-6-methylpyrimidine-2,4(1H,3H)-dione; Uracil, 5-[(2-chloroethyl)-(2-fluoroethyl)amino]-6-methyl-2,4 (1H,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73754	.	.	.	.	249.67	C9H13ClFN3O2	61.4	333	0.7	16	2	4	5	"InChI=1S/C9H13ClFN3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)"	CC1=C(C(=O)NC(=O)N1)N(CCF)CCCl	ODACNRQBNVVGAI-UHFFFAOYSA-N
DG50276	Sudan I	13297	"Sudan I; 842-07-9; Solvent Yellow 14; 1-Phenylazo-2-naphthol; C.I. Solvent Yellow 14; 1-(Phenylazo)-2-naphthalenol; Fast Orange; Grasal Orange; Spirit Orange; Oil Orange; Fast Oil Orange; Soudan I; Dunkelgelb; Pyronalorange; Carminaph; Fettorange lg; Cerotinorange G; Organol Orange; Stearix Orange; Fettorange R; Motiorange R; Scharlach B; Calcogas M; Orange Pel; Fettorange 4a; SUDAN 1; Grasan Orange R; Petrol Orange Y; Sansel Orange G; Spirit Yellow I; Toyo Oil Orange; Ceres Orange R; Enial Orange I; Oleal Orange R; Sudan Orange R; Sudan Orange RA; Atul Orange R; Resinol Orange R; Somalia Orange I; Fat Orange G; Fat Orange I; Fat Orange R; Oil Orange E; Oil Orange R; Sudan J; Fat Orange RS; Oil Orange EP; Hidaco Oil Orange; Oil Orange PEL; Resoform Orange G; Waxoline Yellow I; Fat Orange 4A; Lacquer Orange VG; Oil Orange 2B; Waxakol Orange GL; Fat Soluble Orange; Oil Soluble Orange; Orange A L'Huile; Calcogas Orange NC; Silotras Orange TR; Waxoline Yellow IM; Waxoline Yellow IP; Waxoline Yellow IS; 2-Naphthalenol, 1-(phenylazo)-; Fast Oil Orange I; 2-Naphtholazobenzene; Oil Orange 31; Dispersol Yellow PP; Orange Insoluble Olg; Oil Orange R-14; Tertrogras Orange SV; Sudan Orange RA New; Oil Orange 2311; Orange R Fat Soluble; Brasilazina Oil Orange; Campbelline Oil Orange; Morton Orange Y; Orient Oil Orange PS; 1-Benzoazo-2-naphthol; Benzeneazo-beta-naphthol; Brilliant Oil Orange R; Plastoresin Orange F4A; Orange Resenole No. 3; Oil Orange 7078-V; Oil Orange Z-7078; Orange 2 Insoluble; Solvent Yellow No. 14; Calco Oil Orange 7078; Orange Soluble A L'Huile; Benzene-1-azo-2-naphthol; Disperse Yellow 97; Calco Oil Orange 7078-Y; Calco Oil Orange Z-7078; Orange 3RA Soluble in Grease; 2-Naphthol, 1-(phenylazo)-; 2-Hydroxynaphthyl-1-azobenzene; 1-Benzeneazo-2-naphthol; 1-Phenylazo-beta-naphthol; 2-Hydroxy-1-phenylazonaphthalene; 1-(phenyldiazenyl)naphthalen-2-ol; NCI-C53929; C.I. 12055; Zlut rozpoustedlova 14; 1-phenyldiazenylnaphthalen-2-ol; CI 12055; 1-(Phenylazo)-2-naphthol; UNII-48I7IBB68J; C16H12N2O; C.I Solvent yellow 14; Benzeneazo-.beta.-naphthol; 2-Naphthalenol, 1-(2-phenyldiazenyl)-; 1-Phenylazo-.beta.-naphthol; 48I7IBB68J; CHEBI:30958; 1-[(E)-Phenyldiazenyl]-2-naphthol; MFCD00003911; (E)-1-(phenyldiazenyl)naphthalen-2-ol; Fettorange IG; DSSTox_CID_1135; Oil Orange PS; DSSTox_RID_75966; DSSTox_GSID_21135; Orange Resenole 3; WLN: L66J BNUNR& CQ; 1-[(E)-phenyldiazenyl]naphthalen-2-ol; C.I. Disperse Yellow 97; alpha-Phenylazo-beta-naphthol; 40339-35-3; CAS-842-07-9; CCRIS 174; Zlut rozpoustedlova 14 [Czech]; HSDB 4132; EINECS 212-668-2; NSC 11227; NSC 51524; BRN 0651992; C. I. Solvent Yellow 14; Sudangelb; Waxoline Orange EP-FW; SCHEMBL51451; Sudan I, analytical standard; 4-16-00-00228 (Beilstein Handbook Reference); SCHEMBL333149; 2-Naphthalenol, 1-(phenylazo); CHEMBL1397023; DTXSID4021135; SCHEMBL11876526; SCHEMBL11876532; 1-(2-Hydroxynaphthyl)azobenzene; DTXSID50873448; DTXSID90873447; Sudan I, Dye content >=95 %; 1-(Phenyldiazenyl)-2-naphthol #; .alpha.-Phenylazo-.beta.-naphthol; Sudan I (C.I. 12055); 1-(Phenylazo)-2-hydroxynaphthalene; AMY22421; HY-D0024; NSC11227; NSC51524; ZINC3860848; Tox21_200511; Tox21_300297; 1-[(E)-Phenylazo]naphthalene-2-ol; NSC-11227; NSC-51524; s6191; ZINC12405012; AKOS003581973; AKOS028109814; ZINC100048806; 1,2-Naphthalenedione 1-phenylhydrazone; 1-[(Phenyliminio)amino]-2-naphtholate; CS-5362; MCULE-6905364944; 1-[(Z)-Phenyldiazenyl]naphthalen-2-ol; NCGC00164031-01; NCGC00164031-02; NCGC00164031-03; NCGC00254059-01; NCGC00258065-01; Sudan 1 100 microg/mL in Acetonitrile; AC-34716; NCI60_000270; NCI60_004248; T836; 1,2-Naphthalenedione, 1-(phenylhydrazone); 1-(Phenyldiazenyl)naphthalen-2-ol, >95%; 1-[(1E)-2-Phenyldiazenyl]-2-naphthalenol; FT-0674689; FT-0674690; P0585; J3.602.610C; C19525; Q901018; (1Z)-1-(2-Phenylhydrazono)naphthalene-2(1H)-one; (E)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate; 1-[(Z)-2-Phenylhydrazin-1-ylidene]naphthalen-2(1H)-one; 71351-99-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51524	.	.	.	.	248.28	C16H12N2O	45	312	4.1	19	1	3	2	"InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H"	C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O	MRQIXHXHHPWVIL-UHFFFAOYSA-N
DG50277	9-Chlorophenanthrene	13694	"9-CHLOROPHENANTHRENE; 947-72-8; Phenanthrene, 9-chloro-; 10-Chlorophenanthrene; CCRIS 5543; NSC 8552; EINECS 213-430-0; BRN 2047058; AI3-24095; NSC8552; SCHEMBL1922076; CHEMBL1986631; DTXSID00241572; NSC-8552; ZINC1644077; AKOS015851129; MCULE-8487782162; BS-33293; DB-057530; CS-0207071; FT-0633179; 947C728; J-519502"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8552	.	.	.	.	212.67	C14H9Cl	0	225	5	15	0	0	0	InChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H	C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Cl	CJWHZQNUDAJJSB-UHFFFAOYSA-N
DG50278	Nitrodan	13752	"NITRODAN; Nidanthel; Everfree; 962-02-7; CTR 6110; 3-methyl-5-[(4-nitrophenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one; MLS002608645; NSC44646; NSC67817; NSC-44646; NSC-67817; 3-Methyl-5-((p-nitrophenyl)azo)rhodanine; 3-Methyl-5-[(p-nitrophenyl)azo]rhodanine; Rhodanine, 3-methyl-5-[(p-nitrophenyl)azo]-; Nitrodanum; 4-Thiazolidinone, 3-methyl-5-[(4-nitrophenyl)azo]-2-thioxo-; Nitrodano; 3-Methyl-5-(4-nitrophenylazo)rhodanine; 3-Methyl-5-(4'-nitrophenylazo)rhodanine; Rhodanine, 3-methyl-5-(p-nitrophenylazo)-; Nitrodan [USAN:INN]; 4-Thiazolidinone, 3-methyl-5-((4-nitrophenyl)azo)-2-thioxo-; Nitrodan (USAN); NSC 44646; NSC 67817; 3-Methyl-5-((4-nitrophenyl)azo)rhodanin; NCIOpen2_003502; SCHEMBL634769; SCHEMBL6738937; CHEMBL1707960; CHEMBL2106768; DTXSID70862490; HMS3082E05; CTR-6110; D05185; Rhodanine, 3-methyl-5-[ (4-nitrophenyl)azo]-; Q27255553; 3-methyl-5-(p-nitrophenylazo )-2-thioxothiazolidin-4-on; 4-Thiazolidinone, 3-methyl-5-[ (4-nitrophenyl)azo]-2-thioxo-; 3-methyl-5-[(E)-(4-nitrophenyl)azo]-2-thioxo-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67817	.	.	.	.	296.3	C10H8N4O3S2	148	429	2.7	19	0	7	2	"InChI=1S/C10H8N4O3S2/c1-13-9(15)8(19-10(13)18)12-11-6-2-4-7(5-3-6)14(16)17/h2-5,8H,1H3"	CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]	HHLAJTWCKSBJFA-UHFFFAOYSA-N
DG50279	Testolactone	13769	"testolactone; Teslac; 968-93-4; Fludestrin; Teolit; 1-Dehydrotestololactone; 1,2-Didehydrotestololactone; delta(1)-Testololactone; Testolattone [DCIT]; Testolacton; Testolactonum [INN-Latin]; Testolactona [INN-Spanish]; D-Homo-17A-oxaandrosta-1,4-diene-3,17-dione; SQ 9538; Testololactone, 1-dehydro-; SQ-9538; 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone; UNII-6J9BLA949Q; NSC-12173; Teslak; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione; NSC-23759; 3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone; 6J9BLA949Q; CHEBI:9460; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione; Testololactone, 1,2-didehydro-; Testolactona; Testolactonum; Testolattone; NSC 23759; 1,2-Dehydrotestololactone; delta(1)-Dehydrotestolactone; (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(3H)-dione; delta1-Testololactone; .DELTA.1-Testololactone; Delta-1-testololactone; HSDB 3255; .DELTA.1-Dehydrotestolactone; EINECS 213-534-6; TESLAC (TN); Testolactone (USP/INN); .DELTA.1-Dehydrotestololactone; 17alpha-Oxo-D-homo-1,4-androstadiene-3,17-dione; NSC23759; NSC 12173; Testolactone [USAN:USP:INN]; Testolactone ciii; NCGC00159329-02; 1,2,3,4,4a,4b,7,9,10,10a-Decahydro-2-hydroxy-2,4b-dimethyl-7-oxo-1-phenanthrenepropionic acid delta-lactone; therapeutic testolactone; DSSTox_CID_3644; SCHEMBL4053; Testololactone,2-didehydro-; CHEMBL1571; DSSTox_RID_77126; DSSTox_GSID_23644; GTPL7303; DTXSID2023644; HMS3750O07; BCP10926; ZINC4081771; Tox21_111576; BDBM50367848; LMST02020084; 17a-Oxa-D-homoandrosta-1,17-dione; D-Homo-17a-oxaandrosta-1,17-dione; AKOS015840139; CS-5268; DB00894; 13,17-Secoandrosta-1,4-dien-17-oic acid, 13-hydroxy-3-oxo-, delta-lactone (8CI); CAS-968-93-4; HY-13763; NCI60_001908; C02197; D00153; 968T934; Q3985253; W-100129; 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, lactone; 13-Hydroxy-3-oxo-13,4-dien-17-oic acid .delta.-lactone; 13,4-dien-17-oic acid, 13-hydroxy-3-oxo-, .delta.-lactone; 13-Hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid lactone; 13,4-dien-17-oic acid, 13.alpha.-hydroxy-3-oxo-, .delta.-lactone; 2H-Phenanthro[2,8(4bH)-dione, 3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23759	.	.	.	.	300.4	C19H24O3	43.4	602	3	22	0	3	0	"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C	BPEWUONYVDABNZ-DZBHQSCQSA-N
DG50280	Triethyltin chloride	13820	"TRIETHYLTIN CHLORIDE; 994-31-0; Stannane, chlorotriethyl-; Chlorotriethylstannane; Chlorotriethyltin; Triethylchlorotin; Triethylchlorostannane; Triethylstannyl chloride; Chloro(triethyl)stannane; Tin, triethyl-, chloride; Triethyltin chloride ((C2H5)3SnCl); Triethylstannium chloride; Triaethylzinnchlorid; NSC 5283; UNII-182XZ1735N; triethylstannanylium;chloride; NSC5283; 182XZ1735N; Triaethylzinnchlorid [German]; EINECS 213-616-1; triethylstannylchloride; DTXSID8075043; WLN: G-SN-2&2&2; NSC-5283; MFCD00040414; AKOS015838483; ZINC195751443; NCI60_004293; FT-0706612; Triethyltin chloride 10 microg/mL in Cyclohexane; Q27251971"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5283	.	.	.	.	241.34	C6H15ClSn	0	51.3	.	8	0	0	3	"InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1"	CC[Sn](CC)(CC)Cl	PIMYDFDXAUVLON-UHFFFAOYSA-M
DG50281	Tri-p-tolylphosphine	13956	"Tri-p-tolylphosphine; 1038-95-5; Tris(4-methylphenyl)phosphine; Tri(p-tolyl)phosphine; Phosphine, tris(4-methylphenyl)-; tris(4-methylphenyl)phosphane; Tri-para-tolylphosphine; Tris(p-tolyl)phosphine; Phosphine, tri-p-tolyl-; trip-tolylphosphine; PHOSPHINE, TRIS(p-TOLYL)-; Tri-p-Tolyl Phosphine; NSC 97371; MFCD00008542; Tris-(p-tolyl)phosphine; 218281-19-7; Tris(4-tolyl)phosphine; EINECS 213-863-5; BRN 0651045; TRI-P-TOLYL-PHOSPHANE; NSC97371; tri-paratolylphosphine; tris-p-tolylphosphine; tri-p-tolyl-phosphine; tri(4-Tolyl)phosphine; tri(p-tolyl) phosphine; Phosphorus, tri-p-tolyl; SCHEMBL34181; Tris(p-methylphenyl)phosphine; 4-16-00-00959 (Beilstein Handbook Reference); Tri(p-tolyl)phosphine, 98%; tri-(4-Methylphenyl)phosphine; tris (4-methylphenyl)phosphine; tris(4-methylphenyl) phosphine; CHEMBL1999292; DTXSID3061425; SCHEMBL11326446; WXAZIUYTQHYBFW-UHFFFAOYSA-; Phosphine, tri-p-tolyl- (8CI); WLN: 1R DPR D1&R D1; AMY19709; BCP22533; NSC-97371; ZINC59210146; AKOS004909021; CS-W012099; GC10061; LS41007; MCULE-1213060810; AS-19146; NCI60_042173; SY009847; DB-009853; FT-0633260; T0862; X4828; J-001061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97371	.	.	.	.	304.4	C21H21P	0	263	5.7	22	0	0	3	"InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3"	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C	WXAZIUYTQHYBFW-UHFFFAOYSA-N
DG50282	"1,3-Diamino-5-methylphenazinium chloride"	14132	"1,3-Diamino-5-methylphenazinium chloride; 1084-43-1; NCI 1528; NSC-33419; SN 967; UNII-65YN7B130I; 2,4-Diamino-10-methylphenazinium chloride; 65YN7B130I; 5-methylphenazin-5-ium-1,3-diamine;chloride; Phenazinium, 1,3-diamino-5-methyl-, chloride; EINECS 214-110-3; SCHEMBL10438705; DTXSID60910712; NSC33419; Phenazinium,3-diamino-5-methyl-, chloride; WLN: T C666 BK INJ B1 D1 F1 &Q &G; 1,3-DIAMINO-5-METHYLPHENAZIN-5-IUM CHLORIDE; Q27263920"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33419	.	.	.	.	260.72	C13H13ClN4	68.8	283	.	18	2	4	0	"InChI=1S/C13H12N4.ClH/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17;/h2-7H,1H3,(H3,14,15);1H"	C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.[Cl-]	ULNMZMBBJRBGLM-UHFFFAOYSA-N
DG50283	"2-Anilino-3-chloro-1,4-naphthoquinone"	14161	"1090-16-0; 2-Anilino-3-chloro-1,4-naphthoquinone; 2-anilino-3-chloronaphthalene-1,4-dione; 2-chloro-3-(phenylamino)naphthalene-1,4-dione; 1,4-NAPHTHOQUINONE, 2-ANILINO-3-CHLORO-; 2-Chloro-3-(phenylamino)-1,4-naphthoquinone; 3-Anilino-2-chloro-1,4-naphthoquinone; MLS000588884; 2-chloro-3-(phenylamino)-1,4-dihydronaphthalene-1,4-dione; SMR000212533; 2-Chloro-3-phenylamino-[1,4]naphthoquinone; NSC 4285; BRN 1981676; NSC4285; 1,4-Naphthalenedione,2-chloro-3-(phenylamino)-; 4-14-00-00405 (Beilstein Handbook Reference); cid_14161; CHEMBL155563; SCHEMBL6506683; BDBM68019; CIWCIDRTACZSAZ-UHFFFAOYSA-; ZINC96921; DTXSID40148793; HMS2524F03; 2-Anilino-3-chloronaphthoquinone #; NSC-4285; MFCD00010250; STK862428; AKOS001618279; MCULE-4977877989; 2-Anilino-2-Chloro-1,4-naphthoquinone; NCGC00246324-01; 2-anilino-3-chloro-naphthalene-1,4-dione; CS-0329677; 2-chloranyl-3-phenylazanyl-naphthalene-1,4-dione; 11T-0643; 7-chloro-5,8-dioxo-6-(phenylamino)naphthalen-1-yl; 2-anilino-3-chloro-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4285	.	.	.	.	283.71	C16H10ClNO2	46.2	451	3.2	20	1	3	2	"InChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H"	C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	CIWCIDRTACZSAZ-UHFFFAOYSA-N
DG50284	Diphenyltin dichloride	14342	"DIPHENYLTIN DICHLORIDE; 1135-99-5; Stannane, dichlorodiphenyl-; Dichlorodiphenyltin; Diphenyldichlorotin; Dichlorodiphenylstannane; Diphenyltin chloride; Diphenylstannyl dichloride; Dichloro(diphenyl)stannane; Tin, diphenyl-, dichloride; UNII-0Y7MZ4K0DR; Diphenyltindichloride; Stannane,dichlorodiphenyl-; NSC405640; 0Y7MZ4K0DR; Diphenylstannium dichloride; CCRIS 6324; Difenylstanniumdichlorid [Czech]; Difenylstanniumdichlorid; EINECS 214-496-3; C12H10Cl2Sn; NSC 405640; BRN 4134437; MFCD00000516; Tin, dichlorodiphenyl-,; WLN: G-SN-GR&R; Diphenyltin dichloride, 96%; DTXSID7074458; BAA13599; 5929AF; AKOS015903689; ZINC170155676; NSC-405640; NCI60_003833; DB-041178; HY-144105; FT-0633391; Diphenyltin Dichloride 1000 microg/mL in Methanol; Q22668718"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405640	.	.	.	.	343.8	C12H10Cl2Sn	0	174	.	15	0	0	2	InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2	C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl	ISXUHJXWYNONDI-UHFFFAOYSA-L
DG50285	Methdilazine	14677	"METHDILAZINE; Tacaryl; 1982-37-2; Methdilazinum; Tacazyl; Methdilazinum [INN-Latin]; Metodilazina [INN-Spanish]; NCI-C60720; 10-[(1-Methylpyrrolidin-3-yl)methyl]phenothiazine; 10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine; 10-((1-Methyl-3-pyrrolidinyl)methyl)phenothiazine; CHEBI:6823; 10H-Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-; Methodilazine; Metodilazina; 10H-Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-; Tacryl; NSC169091; MJ 5022; 10-[(1-Methyl-3-Pyrrolidinyl)methyl]phenothiazine; Phenothiazine, 10-((1-methyl-3-pyrrolidinyl)methyl)-; Phenothiazine, 10-[(1-methyl-3-pyrrolidinyl)methyl]-; 10-[(1-Methyl-3-pyrrolidinyl)methyl]phenothiazine; MJ 5022; Tacaryl (TN); Methdilazine (INN); Product 5022; EINECS 217-841-6; metdilazina; Methdilazine [USP:INN:BAN]; Dilosyn (Salt/Mix); Disyncram (Salt/Mix); Disyncran (Salt/Mix); METHDILAZINE(200MG); SCHEMBL121507; GTPL7231; 10-((1-methyl-3-pyrrolidinyl)methyl)-10H-phenothiazine; CHEMBL1200959; DTXSID6023282; BDBM81470; METHDILAZINE (200 MG); 10H-Phenothiazine, tannate (5:1); CAS_14677; NSC_14677; NSC244191; PDSP1_000149; PDSP2_000148; DB00902; NSC-244191; NCI60_001351; C07175; D04979; L001130; SR-01000944494; Q6665709; SR-01000944494-1; 10-[(1-Methyl-3-pyrrolidinyl)methyl]-10H-phenothiazine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169091	.	.	.	.	296.4	C18H20N2S	31.8	339	5.2	21	0	3	2	"InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3"	CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42	HTMIBDQKFHUPSX-UHFFFAOYSA-N
DG50286	Solvent red 1	14678	"Solvent red 1; 1229-55-6; Sudan Red G; Sudan R; 1-((2-Methoxyphenyl)diazenyl)naphthalen-2-ol; Ceres Red G; Fat Red BG; Fat Soluble Red S; OIL PINK; Oil Vermilion; 1-(2-Methoxyphenylazo)-2-naphthol; Organol Vermilion; Resinol Red G; Silotras Red TG; Somalia Red PG; Oil Vermilion LP; Oleal Red G; C.I. Solvent Red 1; Fat-soluble Red S; Plastoresin Red FR; Oil Soluble Red S; Oil Scarlet 389; Ceres Red G 102; C.I. Solvent Red I; Brilliant Fat Scarlet R; C.I. Food Red 16; 1-(o-Anisylazo)-2-naphthol; C.I. 12150; 1-[(2-Methoxyphenyl)azo]-2-naphthol; UNII-J95C286WK5; 1-[(2-methoxyphenyl)diazenyl]naphthalen-2-ol; Sudan Red G (C.I. 12150); 1-((2-Methoxyphenyl)azo)-2-naphthol; 2-Naphthol, 1-((o-methoxyphenyl)azo)-; 2-Naphthalenol, 1-((2-methoxyphenyl)azo)-; 2-Naphthalenol, 1-[(2-methoxyphenyl)azo]-; Orient Oil Red OG; J95C286WK5; Lacquer Red V2G; 1-(2-Methoxyphenyl)azo-2-naphthol; MFCD00046377; Brilliant Fast Scarlet R; Sudan Red 290; Oil Red 113; (E)-1-((2-methoxyphenyl)diazenyl)naphthalen-2-ol; 1-[(E)-(2-methoxyphenyl)diazenyl]naphthalen-2-ol; Oil Red OG; Anisole-2-azo-.beta.-naphthol; CI Solvent Red 1; Lacquer Red V 2G; Food Red 16; CI Food Red 16; Sico Fat Red BG New; C Red 2; 2-Naphthol, 1-[(o-methoxyphenyl)azo]-; Anisole-2-azo-beta-naphthol; 93449-48-0; CCRIS 2785; HSDB 2145; Sudan Red G (6CI); 2-Naphthalenol, 1-(2-(2-methoxyphenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2-methoxyphenyl)diazenyl]-; EINECS 214-968-9; NSC 11232; NSC 45194; CI 12150; 1-((2-Methoxyphenyl)azo)-2-naphthalenol; SCHEMBL340350; 1-[2-(2-methoxyphenyl)diazen-1-yl]naphthalen-2-ol; SCHEMBL1507672; CHEMBL1986529; DTXSID3061635; SCHEMBL11875491; SCHEMBL11877973; Sudan red G, analytical standard; NSC11232; NSC45194; NSC-11232; NSC-45194; STL417933; Sudan red G, reagent for Ph. Eur.; ZINC18100764; ZINC95628832; ZINC95628833; AKOS001025698; AKOS030228149; AKOS037643326; ZINC100006019; ZINC252428377; ZINC254702107; MCULE-6310788436; AS-13947; NCI60_000271; NCI60_004041; T785; FT-0674693; M0487; D91337; 1-((2-Methoxyphenyl);diazenyl);naphthalen-2-ol; Q835871; W-109654; Z56755465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11232	.	.	.	.	278.3	C17H14N2O2	54.2	361	4.6	21	1	4	3	"InChI=1S/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3"	COC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O	ALLOLPOYFRLCCX-UHFFFAOYSA-N
DG50287	Dibromsalan	14839	"DIBROMSALAN; Temasept; 4',5-Dibromosalicylanilide; Dibromsalen; Disanyl; Bromsalicylanilide; Bromosalicylanilide; 87-12-7; DIBASK; 5-Bromosalicyl-4-bromoanilide; NSC-20527; 3-Bromo-6-hydroxybenz-p-bromanilide; 5-Bromosalicylic acid p-bromoanilide; UNII-N9900K2RBT; BENZAMIDE, 5-BROMO-N-(4-BROMOPHENYL)-2-HYDROXY-; 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide; N9900K2RBT; NSC20527; component of Diaphene; component of ASC-4; component of Temasept I; Salicylanilide,5-dibromo-; WLN: QR DE BVMR DE; Caswell No. 287C; Dibromsalanum; Dibronsalan; Dibromsalan [USAN:INN]; Dibromsalanum [INN-Latin]; Dibronsalan [INN-Spanish]; EINECS 201-724-1; NSC 20527; EPA Pesticide Chemical Code 077402; BRN 1125597; WR 52606; Salicylanilide, 4',5-dibromo-; p-Bromanilid kyseliny 5-bromsalicylove [Czech]; Dibromsalan (USAN); p-Bromanilid kyseliny 5-bromsalicylove; CHEMBL21869; SCHEMBL646973; DTXSID1041500; ZINC608319; NSC81947; NSC-81947; 5-bromo-N-(4-bromophenyl)-2-hydroxy-benzamide; D03780; Q27284731"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20527	.	.	.	.	371.02	C13H9Br2NO2	49.3	293	4.7	18	2	2	2	"InChI=1S/C13H9Br2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)"	C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Br	CTFFKFYWSOSIAA-UHFFFAOYSA-N
DG50288	Nitralamine	15031	"Nitralamine; 71872-90-7; SC-12350; NSC357114; CS-12350; 2-((o-Chloro-alpha-(nitromethyl)benzyl)thio)ethylamine; CHEMBL2111120; DTXSID20862667; Ethanamine, 2-((1-(2-chlorophenyl)-2-nitroethyl)thio)-; Q27284995; 2-[1-(2-chlorophenyl)-2-nitro-ethyl]sulfanylethanamine; {[(.Alpha.-Nitromethyl)-o-chlorobenzylthio]ethylamine} hydrochloride; (2-((2-Aminoethyl)thio)-2-(2-chlorophenyl)ethyl)(hydroxy)azane oxide; {2-[.Alpha.-(Nitromethyl)-2-chlorobenzylthio]ethylamine} hydrochloride; {2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} hydrochloride; {2-[o-Chloro-.alpha.-(nitromethyl)benzylthio]ethylamine} hydrochloride; {2-[[o-Chloro-.alpha.-(nitromethyl)benzyl]thio]ethylamine} monohydrochloride; Ethanamine, {2-[[1-(2-chlorophenyl)-2-nitroethyl]thio]-,} monohydrochloride; Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} hydrochloride; Ethylamine, {2-[[o-chloro-.alpha.-(nitromethyl)benzyl]thio]-,} monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357114	.	.	.	.	260.74	C10H13ClN2O2S	97.1	225	1.9	16	1	4	5	"InChI=1S/C10H13ClN2O2S/c11-9-4-2-1-3-8(9)10(7-13(14)15)16-6-5-12/h1-4,10H,5-7,12H2"	C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl	OQTNUAMHNGNKJC-UHFFFAOYSA-N
DG50289	Guanazole	15078	"Guanazole; 1H-1,2,4-Triazole-3,5-diamine; 1455-77-2; 3,5-DIAMINO-1,2,4-TRIAZOLE; 4H-1,2,4-triazole-3,5-diamine; 3,5-Diamino-s-triazole; 3,5-Diamino-1H-1,2,4-triazole; NSC 1895; s-Triazole, 3,5-diamino-; MC 51762; NCI-C04819; 1,2,4-Triazolidine, 3,5-diimino-; UNII-I01TWM5267; MFCD00005233; CHEBI:75425; NSC1895; I01TWM5267; 3,5-Diamino-1h-[1,2,4]triazole; CCRIS 3745; EINECS 215-937-2; AI3-51272; 2xix; DSSTox_CID_5367; Guanazole (VAN) (8CI); DSSTox_RID_77765; DSSTox_GSID_25367; BIDD:GT0366; CHEMBL56973; 1H-124-Triazole-35-diamine; DTXSID0025367; 1H-1,4-Triazole-3,5-diamine; 1,2,4-Triazolidine-3,5-diimine; 1,4-Triazolidine, 3,5-diimino-; ALBB-017750; NSC-1895; ZINC4118774; 3,5 diamino-1H-1,2,4-triazole; Tox21_202973; BBL001888; STK386290; 3,5-Diamino-[1,2,4]TRIAZOLE; AKOS000120421; AKOS003234052; MB00154; MCULE-3092785488; 3,5-Diamino-1,2,4-triazole, 98%; 3-amino-1H-1,2,4-triazol-5-ylamine; NCGC00260519-01; 4H-[1,2,4]TRIAZOLE-3,5-diamine; 503-88-8; AS-15933; BP-10410; NCI60_001580; R431; SY049252; CAS-1455-77-2; DB-006826; D2587; FT-0614488; FT-0691053; 3,5-Diamino-1,2,4-triazole Sulfate (2:1); F15432; 455T772; A884602; AG-670/31515053; W-108136; Q27145298; 63598-73-2; Guanazole; 3,5-Diamino-1,2,4-triazole (Guanazole); 3,5-Diamino-1H-1,2,4-triazole;3,5-Diamino-1,2,4-triazole; XIX"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1895	.	.	.	.	99.1	C2H5N5	93.6	63.1	-0.7	7	3	4	0	"InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)"	C1(=NC(=NN1)N)N	PKWIYNIDEDLDCJ-UHFFFAOYSA-N
DG50290	"Benzophenone, 4,4'-bis(dimethylamino)-, oxime"	15581	"4,4'-Bis(dimethylamino)benzophenone oxime; 1714-51-8; UNII-83UEA75H5R; BENZOPHENONE, 4,4'-BIS(DIMETHYLAMINO)-, OXIME; 83UEA75H5R; Bis[4-(dimethylamino)phenyl]methanone oxime; NSC 43959; BRN 2859295; TimTec1_004542; Oprea1_730193; 3-14-00-00229 (Beilstein Handbook Reference); SCHEMBL5579647; ZINC51570; DTXSID90169079; HMS1546O10; NSC43959; NSC-43959; STK756350; WLN: 1N1&R DYUNQR DN1&1; AKOS001723673; MCULE-1331458743; Benzophenone,4'-bis(dimethylamino)-, oxime; SR-01000517032; 4,4'-(hydroxycarbonimidoyl)bis(N,N-dimethylaniline); SR-01000517032-1; Methanone, bis(4-(dimethylamino)phenyl)-, oxime (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43959	.	.	.	.	283.37	C17H21N3O	39.1	308	4.1	21	1	4	4	"InChI=1S/C17H21N3O/c1-19(2)15-9-5-13(6-10-15)17(18-21)14-7-11-16(12-8-14)20(3)4/h5-12,21H,1-4H3"	CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(C)C	RHVSVZXFVMCNAT-UHFFFAOYSA-N
DG50291	"2,4,5,6-Tetrachloropyrimidine"	15690	"2,4,5,6-Tetrachloropyrimidine; 1780-40-1; Tetrachloropyrimidine; Perchloropyrimidine; Pyrimidine, tetrachloro-; PYRIMIDINE, 2,4,5,6-TETRACHLORO-; 2,4,5,6-Tetrachloro-1,3-pyrimidine; MFCD00006062; EINECS 217-228-3; NSC 35123; BRN 0145778; AI3-26568; NSC35123; 2,5,6-Tetrachloropyrimidine; 5-23-05-00347 (Beilstein Handbook Reference); SCHEMBL218726; CHEMBL2000541; DTXSID4061963; Pyrimidine,4,5,6-tetrachloro-; 2,4,5,6-tetrachloro-pyrimidine; AMY42041; ZINC1667478; 2,5,6-Tetrachloro-1,3-pyrimidine; NSC-35123; AKOS015851187; GS-6754; SB60534; 2,4,5,6-Tetrachloropyrimidine, 97%; AC-10228; L042; NCI60_003135; SY005512; DB-044320; FT-0609778; T1217; H10056; A812338; W-107821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35123	.	.	.	.	217.9	C4Cl4N2	25.8	110	3.7	10	0	2	0	InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7	C1(=C(N=C(N=C1Cl)Cl)Cl)Cl	GVBHCMNXRKOJRH-UHFFFAOYSA-N
DG50292	Ethacridine lactate	15789	"ETHACRIDINE LACTATE; 1837-57-6; acrinol; Rivanol; Acrolactine; Metifex; Rivinol; Rimaon; Ethodin; Flavitrol; Hectalin; 6,9-Diamino-2-ethoxyacridine lactate; Amoebin; Vucine; Akron; 7-ethoxyacridine-3,9-diamine 2-hydroxypropanoate; Antidiar 200; Ethacridine (lactate); 2-Ethoxy-6,9-diaminoacridine lactate; TCMDC-123983; Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1); NSC 36333; 2,5-Diamino-7-ethoxyacridine lactate; 2-Ethoxy-6,9-diaminoacridinium lactate; 3,9-Diamino-7-ethoxyacridinium lactate; Acrinolum; CHEBI:31172; 6,9-Diamino-2-ethoxyacridine lactate monohydrate; Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine(1:1)OTHER CA INDEX NAMES:3,9-Acridinediamine, 7-ethoxy-, 2-hydroxypropanoate (1:1); CCRIS 5165; NSC-36333; NCGC00096056-02; EINECS 217-408-1; Acridine, 6,9-diamino-2-ethoxy-, lactate; 2-Aethoxy-6,9-diaminoacridinlactat [German]; Acridine, 6,9-diamino-2-ethoxy-, monolactate; 2-Aethoxy-6,9-diaminoacridinlactat; Antidian 200; 6,9-Acridinediamine, 2-ethoxy-, 2-hydroxypropanoate (1:1); Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1); Acridine, 6,9-diamino-2-ethoxy-, compd. with lactic acid (1:1); Ethacridine Lactate ,(S); 2-Hydroxypropanoic acid, compd. with 7-ethoxy-3,9-acridinediamine (1:1); SCHEMBL138154; SPECTRUM1505168; CHEMBL582355; DTXSID10872472; HMS3264O11; Pharmakon1600-01505168; BCP10467; HY-B2174; NSC36333; MFCD00013149; NSC758932; s4945; AKOS015896231; Acridine,9-diamino-2-ethoxy-, lactate; AM84640; CCG-213965; CS-7625; KS-5135; NSC-758932; WLN: T C666 BNJ EZ IZ LO2; NCGC00096056-01; 6,9-Diamino-2-ethoxyacridine-DL-lactate; H741; Acridine,9-diamino-2-ethoxy-, monolactate; 7-ethoxy-3,9-acridinediamine, lactate salt; DB-044505; 6, 2-ethoxy-, 2-hydroxypropanoate (1:1); A0136; FT-0621870; SJ000012756; D81748; Lactic acid,9-diamino-2-ethoxyacridine (1:1); Q426220; SR-01000872749; SR-01000872749-1; W-107794; 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid; Acridine,9-diamino-2-ethoxy-, cpd with lactic acid (1:1); Acrino;Acrolactine;NSC 36333; NSC-36333; NSC36333; Propanoic acid, compd. with 7-ethoxy-3,9-acridinediamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36333	.	.	.	.	343.4	C18H21N3O4	132	371	.	25	4	7	3	"InChI=1S/C15H15N3O.C3H6O3/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)"	CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O	IYLLULUTZPKQBW-UHFFFAOYSA-N
DG50293	Bisethylxanthate trisulfide	15815	"Defoliant 713; BEXT; Bisethylxanthate trisulfide; Bis(ethylxanthogen)trisulfide; Di(ethylxanthogen) trisulfide; Bis(ethylxanthogen) trisulfide; 1851-77-0; Trisulfide, bis(ethoxythioxomethyl); O-ethyl (ethoxycarbothioyltrisulfanyl)methanethioate; UNII-W7PX1UP1IS; W7PX1UP1IS; Methanethioic acid, trithiobis-, O,O-diethyl ester; Bis-ethylxanthogen trisulfide; FORMIC ACID, TRITHIOBIS(THIO-, O,O-DIETHYL ESTER; Trisulfide, bis(ethoxythiocarbonyl); NSC402562; Pertrithiobis(thioformic acid O-ethyl) ester; BEXT (VAN); Di(ethylxanthogen)trisulfide; Bis(ethoxythiocarbonyl)trisulfide; Trisulfide, bis(ethoxythiocarbonyl)-; NSC 402562; Di-ethoxythiokarbonyl-trisulfid [Czech]; BRN 1788565; Di-ethoxythiokarbonyl-trisulfid; Defoliant-713; 3-03-00-00351 (Beilstein Handbook Reference); WLN: SUYO2&SSSYUS&O2; bis-ethoxythiocarbonyl-trisulfane; CHEMBL1998620; DTXSID70171716; 1,3-Bis(ethoxycarbothioyl)trisulfane; NSC-402562; NCI60_003780; Formic acid, {trithiobis[thio-,} O,O-diethyl ester; Methanethioic acid, trithiobis-, O,O-diethyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402562	.	.	.	.	274.5	C6H10O2S5	159	154	3.7	13	0	7	8	"InChI=1S/C6H10O2S5/c1-3-7-5(9)11-13-12-6(10)8-4-2/h3-4H2,1-2H3"	CCOC(=S)SSSC(=S)OCC	XXYGYFJCOAIEEK-UHFFFAOYSA-N
DG50294	tert-Butylhydroquinone	16043	"tert-Butylhydroquinone; 1948-33-0; TBHQ; 2-tert-Butylhydroquinone; 2-tert-butylbenzene-1,4-diol; T-BUTYLHYDROQUINONE; MTBHQ; t-Butyl hydroquinone; 2-t-Butylhydroquinone; 2-tert-Butyl-1,4-benzenediol; Mono-tert-butylhydroquinone; Sustane; tert-Butyl-1,4-benzenediol; Mono-tertiarybutylhydroquinone; Tenox TBHQ; tertiary-Butylhydroquinone; 1,4-Benzenediol, 2-(1,1-dimethylethyl)-; Hydroquinone, tert-butyl-; Banox 20BA; 2-(1,1-Dimethylethyl)-1,4-benzenediol; 2-tert-Butyl(1,4)hydroquinone; 2-tertiary-butylhydroquinone; t-BHQ; 2-(tert-butyl)benzene-1,4-diol; tert-Butylhydrochinone; 2-t-Butyl-1,4-benzenediol; Tertiary butylhydroquinone; Eastman MTBHQ; NSC 4972; MFCD00002344; 1,4-Benzenediol (1,1-dimethylethyl)-; CHEBI:78886; tert-butyl-hydroquinone; NSC4972; UNII-C12674942B; 2-(1,1-dimethylethyl)benzene-1,4-diol; NSC-4972; NCGC00013051-05; E319; DSSTox_CID_220; C12674942B; DSSTox_RID_75441; DSSTox_GSID_20220; Hydroquinone, t-butyl-; EYK; CAS-1948-33-0; monotertiary butyl hydroquinone; CCRIS 1447; HSDB 838; Butylhydroquinone, t-; Tenox 20; tert-butyl hydroquinone; Butylhydroquinone, tert-; EINECS 217-752-2; BRN 0637923; 2-(tert-Butyl)benzene-1,4-diol(may occur to produce black solid); AI3-61039; 1-t-Butyl-1,4-dihydroxybenzene; Sustane TBHQ; Tenox TBHO; Tenox TBHQTBHQ; t-butyl-hydroquinone; tert-Butylhydroquinon; 2-t-butyl hydroquinone; tert.-butyl hydroquinone; 2-tert-butyl-hydroquinone; EC 217-752-2; NCIStruc1_000241; NCIStruc2_000017; SCHEMBL26745; tert-Butylhydroquinone, 97%; MLS002222348; Mono-Tertiarybuytl Hydroquinone; CHEMBL242080; DTXSID6020220; NCI4972; WLN: QR DQ BX1&1&1; KUC109743N; ZINC388085; 1,4-dihydroxy-2-tert-butylbenzene; 2-tert-butyl-1,4-dihydroxybenzene; Tox21_110006; Tox21_110007; Tox21_202309; Tox21_300081; BDBM50065387; CCG-37948; NCGC00013051; s4990; STK372011; AKOS003627061; CS-5774; DB07726; MCULE-3339750019; NCGC00013051-01; NCGC00013051-02; NCGC00013051-03; NCGC00013051-04; NCGC00013051-06; NCGC00013051-07; NCGC00013051-08; NCGC00013051-09; NCGC00013051-10; NCGC00090788-01; NCGC00090788-02; NCGC00090788-03; NCGC00090788-04; NCGC00254178-01; NCGC00259858-01; AC-10579; BS-15862; NCI60_004196; SMR001253806; SY001798; KSC-241-078-1; tert-Butylhydroquinone, analytical standard; DB-019879; HY-100489; B0833; FT-0652102; 2-(1,1-Dimethylethyl)-1,4-benzenediol, 9CI; D70420; Q662443; W-107698; BRD-K36452089-001-01-8; BRD-K36452089-001-02-6; F0001-0696; Z1945707490"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4972	.	.	.	.	166.22	C10H14O2	40.5	148	2.8	12	2	2	1	"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3"	CC(C)(C)C1=C(C=CC(=C1)O)O	BGNXCDMCOKJUMV-UHFFFAOYSA-N
DG50295	"5,6-Chrysenedione"	16317	"5,6-CHRYSENEDIONE; 5,6-chrysenequinone; chrysene-5,6-dione; 2051-10-7; Chrysene-5,6-quinone; MLS002637799; UNII-3UZ6R8Y75B; 3UZ6R8Y75B; SMR001547316; Chrysenequinone; 5,6-Chrysoquinone; CCRIS 2025; NSC5192; NSC 5192; BRN 0650510; cid_16317; SCHEMBL1055754; CHEMBL1704614; BDBM89215; DTXSID10174509; HMS3093G08; NSC-5192; ZINC1680760; AKOS024341207; MCULE-9578968367; DB-083072; FT-0728569; 4-07-00-02646 (Beilstein Handbook Reference); Q27258059"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5192	.	.	.	.	258.3	C18H10O2	34.1	427	3.8	20	0	2	0	InChI=1S/C18H10O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10H	C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C4=CC=CC=C34	HZGMNNQOPOLCIG-UHFFFAOYSA-N
DG50296	Pimozide	16362	"pimozide; 2062-78-4; Orap; Opiran; Pimozidum; Pimozidum [INN-Latin]; McN-JR-6238; R-6238; R 6238; R6238; UNII-1HIZ4DL86F; NSC 170984; McN-JR 6238; 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one; 2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; 1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone; 1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; 1HIZ4DL86F; CHEMBL1423; 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine; 1-[1-[4,4-bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; MLS000028410; MLS002702058; CHEBI:8212; MFCD00055081; NSC170984; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; 1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2H-Benzimidazol-2-one, 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-; NSC-170984; NCGC00015802-08; NCGC00015802-18; Primozida; SMR000058385; CAS-2062-78-4; DSSTox_CID_3474; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one; DSSTox_RID_77042; DSSTox_GSID_23474; Primozida [INN-Spanish]; pimozida; Primozide; C28H29F2N3O; Pimozida [INN-Spanish]; 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine; CCRIS 9172; Orap (TN); SR-01000075392; EINECS 218-171-7; BRN 0729089; 1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one; Prestwick_395; Pimozide [USAN:USP:INN:BAN:JAN]; Spectrum_000445; Tocris-0937; Opera_ID_1580; Prestwick0_000308; Prestwick1_000308; Prestwick2_000308; Prestwick3_000308; Spectrum2_001026; Spectrum3_001451; Spectrum4_000420; Spectrum5_001308; Lopac-P-1793; GTPL90; NCIMech_000356; P 1793; Lopac0_000946; SCHEMBL41584; BSPBio_000276; BSPBio_001439; BSPBio_002941; KBioGR_000720; KBioSS_000925; 5-24-02-00367 (Beilstein Handbook Reference); MLS001077311; BIDD:GT0435; DivK1c_000386; Methyl-(2-m-tolylethyl)amine; SPECTRUM1501134; Pimozide (JP17/USP/INN); SPBio_001211; SPBio_002495; BPBio1_000304; SCHEMBL7519553; DTXSID8023474; BCBcMAP01_000043; HMS501D08; KBio1_000386; KBio2_000925; KBio2_003493; KBio2_006061; KBio3_002441; AOB5780; NINDS_000386; HMS1568N18; HMS1791H21; HMS1921H19; HMS1989H21; HMS2089C11; HMS2092F09; HMS2095N18; HMS2231P23; HMS3262N14; HMS3267E19; HMS3370N13; HMS3402H21; HMS3411J16; HMS3675J16; HMS3712N18; Pharmakon1600-01501134; ZINC4175630; Tox21_110224; Tox21_301586; Tox21_500946; BDBM50334150; CCG-35918; CCG-36461; CCG-39728; NSC757854; s4358; 2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1H-benzimidazol-2-one; AKOS024458706; Tox21_110224_1; DB01100; LP00946; NSC-757854; SDCCGSBI-0050920.P004; IDI1_000386; SMP1_000241; NCGC00015802-01; NCGC00015802-02; NCGC00015802-03; NCGC00015802-04; NCGC00015802-05; NCGC00015802-06; NCGC00015802-07; NCGC00015802-09; NCGC00015802-10; NCGC00015802-11; NCGC00015802-12; NCGC00015802-13; NCGC00015802-14; NCGC00015802-15; NCGC00015802-16; NCGC00015802-26; NCGC00015802-29; NCGC00016601-01; NCGC00022282-03; NCGC00024888-01; NCGC00024888-02; NCGC00024888-03; NCGC00024888-04; NCGC00024888-05; NCGC00024888-06; NCGC00024888-07; NCGC00255294-01; NCGC00261631-01; AS-13916; HY-12987; M828; SBI-0050920.P003; AB00052215; CS-0012921; EU-0100946; FT-0673903; R-623; SW196639-3; C07566; D00560; AB00052215-06; AB00052215_07; AB00052215_08; 062P784; L000494; Q144085; WLN: T56 BMVNJ D- DT6NTJ A3YR DF&R DF; J-013477; SR-01000075392-1; SR-01000075392-3; SR-01000075392-4; SR-01000075392-6; BRD-K01292756-001-06-0; BRD-K01292756-001-13-6; Pimozide, European Pharmacopoeia (EP) Reference Standard; Z241910386; 2-Benzimidazolinone,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-; N-benzyl-N-(3-isobutoxy-2-(pyrrolidin-1-yl)propyl)benzenamine; Pimozide, United States Pharmacopeia (USP) Reference Standard; 1-[1-[4,4-Bis(p-flurophenyl)butyl]-4-piperidyl]-2-benzimidazolinone; 1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one; 2H-Benzimidazol-2-one,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-; 1-{1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one(Pimozide); Pimozide (1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidaol-2-one); PIMOZIDE1-{1-[4,4-BIS-(4-FLUORO-PHENYL)-BUTYL]-PIPERIDIN-4-YL}-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170984	.	.	.	.	461.5	C28H29F2N3O	35.6	632	6.3	34	1	4	7	"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)"	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	YVUQSNJEYSNKRX-UHFFFAOYSA-N
DG50297	Decyltrimethylammonium bromide	16388	"Decyltrimethylammonium bromide; 2082-84-0; N,N,N-trimethyldecan-1-aminium bromide; n-Decyltrimethylammonium bromide; Trimethyldecylammonium bromide; 1-Decanaminium, N,N,N-trimethyl-, bromide; 1-Decanaminium, N,N,N-trimethyl-, bromide (1:1); decyl(trimethyl)azanium;bromide; N,N,N-Trimethyldecylammonium bromide; N,N,N-Trimethyl-1-decanaminium bromide; decyltrimethylazanium bromide; CHEBI:295756; MFCD00041973; Decyltrimethylammoniumbromide; FSM 20; Ammonium, decyltrimethyl-, bromide; NSC 9951; EINECS 218-219-7; AI3-61499; C13H30BrN; SCHEMBL146147; CHEMBL120782; Decyl-Trimethyl-Ammonium Bromide; DTXSID80883792; NSC9951; NSC-9951; N,N-Trimethyl-1-decanaminium bromide; AKOS015914914; DS-4371; MCULE-7441976704; (1-Decyl)trimethylammonium bromide, 98%; D1467; FT-0657061; V1313; D87915; A814954; J-013662; Q27225723"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9951	.	.	.	.	280.29	C13H30BrN	0	113	.	15	0	1	9	"InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1"	CCCCCCCCCC[N+](C)(C)C.[Br-]	PLMFYJJFUUUCRZ-UHFFFAOYSA-M
DG50298	7-Hydroxychlorpromazine	16414	"7-Hydroxychlorpromazine; 2095-62-7; 7-OCPZ; 7-OHCPZ; 7-Hydroxy Chlorpromazine; 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol; NSC131053; UNII-P0X9L6UVP0; P0X9L6UVP0; MLS002920079; PHENOTHIAZINE, 2-CHLORO-10-(3-(DIMETHYLAMINO)PROPYL)-7-HYDROXY-; NSC-131053; 8-Chloro-10-(3-(dimethylamino)propyl)-10H-phenothiazin-3-ol; 7-Hydroxy-2-chloro-10-(3'-(dimethylamino)-N-propyl)phenothiazine; Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-; 10H-Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-; 8-Chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol; 7-Hydroxy-2-chloro-10-[3'-(dimethylamino)-N-propyl]phenothiazine; hydroxychlorpromazine; NSC 131053; BRN 1021503; CHEMBL909; 7-OH-CHLORPROMAZINE; NCIStruc1_001431; NCIStruc2_001713; SCHEMBL2389266; BDBM81812; DTXSID20175128; CHEBI:125475; ZINC1717860; CAS_16414; CCG-37119; NCGC00014306; NCI131053; NSC_16414; NCGC00014306-02; NCGC00097415-01; NCI60_000684; SMR001797676; WLN: T C666 BN ISJ B3N1&1 EG LQ; Q27216094; 8-Chloro-10-[3-(dimethylamino)propyl]-10H-phenothiazin-3-ol #; Phenothiazin-3-ol, 8-chloro-10-(3-(dimethylamino)propyl)- (8CI); 10H-Phenothiazin-3-ol, 8-chloro-10-(3-(dimethylamino)propyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131053	.	.	.	.	334.9	C17H19ClN2OS	52	371	4.8	22	1	4	4	"InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3"	CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl	HICFFJZGXWEIHN-UHFFFAOYSA-N
DG50299	Pyronine B	16524	"PYRONINE B; 2150-48-3; Pyronin B; Pyronine B(By); 3,6-Bis(diethylamino)xanthylium chloride; Pyronine B, purified; Pyronin B Certified; C.I. 45010; NSC44690; Xanthylium, 3,6-bis(diethylamino)-, chloride; UNII-N3P889IX5O; N3P889IX5O; CHEBI:90405; Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1); [6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride; (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride; N-(6-(Diethylamino)-3H-xanthen-3-ylidine)-N-ethylethanaminium chloride; C21H27ClN2O; 6-(DIETHYLAMINO)-N,N-DIETHYL-3H-XANTHEN-3-IMINIUM CHLORIDE; E tetraethylpyronin; EINECS 218-429-9; NSC 44690; AI3-52461; SCHEMBL94357; CHEMBL1973844; DTXSID1062209; Ammonium, (6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride; Ammonium, (6-diethylamino-3H-xanthen-3-ylidene)diethyl-, chloride; Ammonium, diethyl(6-(diethylamino)-3H-xanthen-3-ylidene)-, chloride; Ci 45010; MFCD00011932; MFCD03701356; NSC-44690; CI45010; PYRONIN B FERRIC CHLORIDE COMPLEX; M870; FT-0759526; Q27162518; Xanthylium,3,6-bis(diethylamino)-, chloride (1:1); N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride; Ethanaminium, N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44690	.	.	.	.	358.9	C21H27ClN2O	15.5	530	.	25	0	3	5	"InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]	CXZRDVVUVDYSCQ-UHFFFAOYSA-M
DG50300	Azaribine	16574	"AZARIBINE; 2169-64-4; Triazure; 6-Azaribine; Azaribinum; Azaribina; Triacetyl-6-azauridine; 2',3',5'-Tri-O-acetyl-6-azauridine; 6-Azauridine 2',3',5'-triacetate; Azauridine triacetate; NSC 67239; UNII-K1U80DO9EB; K1U80DO9EB; MLS000069488; CB 304; TA-Azur; 2-beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione 2',3',5'-triacetate; 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-; NCGC00022391-04; SMR000059052; 6-AzUR-TA; 2',3',5'-Triacetyl-6-azauridine; NSC-67239; DSSTox_CID_2635; 2-(2',3',5'-Triacetyl-beta-D-ribofuranosyl)-as-triazine-3,5-(2H,4H)-dione; DSSTox_RID_76667; DSSTox_GSID_22635; 2-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione; (2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl diacetate; CAS-2169-64-4; 6-Azauridin-triacetat; Azaribinum [INN-Latin]; Azaribina [INN-Spanish]; CB-304; 6-Azauracilribosid-triacetat; Azaribine [USAN:INN:BAN]; NSC67239; Azaribine,6-; Triazure (TN); AZR; EINECS 218-515-6; BRN 0631776; AI3-52937; Azaribine (USAN/INN); Opera_ID_1475; SCHEMBL117540; REGID_for_CID_16574; CHEMBL515914; DTXSID1022635; CHEBI:88272; HMS2230B12; ZINC4214908; Tox21_110878; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, triacetate; AKOS015913256; Tox21_110878_1; MCULE-2937549601; 2-(beta-D-ribofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dion 2',3',5'-triacetat; as-Triazine-3,5-(2H,4H)-dione, 2-(2',3',5'-triacetyl-beta-D-ribofuranosyl)-; NCGC00022391-05; [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo(4H-1,2,4-triazin-2-yl))oxolan-2-yl ]methyl acetate; [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate; (-)-6-Azauridine 2',3',5'-triacetate; 2'-O,3'-O,5'-O-Triacetyl-6-azauridine; D03029; A815612; SR-01000003016; SR-01000003016-2; Q27160156; as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-, 2',3',5'-triacetate (8CI); [(2R,3R,4R,5R)-3,4-diacetoxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)tetrahydrofuran-2-yl]methyl acetate; Acetic acid 3,4-diacetoxy-5-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-tetrahydro-furan-2-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67239	.	.	.	.	371.3	C14H17N3O9	150	662	-0.2	26	1	10	8	"InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1"	CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C	QQOBRRFOVWGIMD-OJAKKHQRSA-N
DG50301	Diallyl disulfide	16590	"DIALLYL DISULFIDE; 2179-57-9; Allyl disulfide; Diallyldisulfide; Diallyl disulphide; 1,2-Diallyldisulfane; Disulfide, di-2-propenyl; 2-Propenyl disulphide; Allyl disulphide; 4,5-Dithia-1,7-octadiene; 3-(prop-2-enyldisulfanyl)prop-1-ene; 3-Allyldisulfanyl-Propene; UNII-5HI47O6OA7; Disulfide, di-2-propen-1-yl; 5HI47O6OA7; CHEBI:4488; CHEMBL366603; 3-(Allyldisulfanyl)-1-propene; Di-2-propenyl disulfide, 9CI; MFCD00008656; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2-Propenyl disulfide; Di(2-propenyl) disulfide; diallyldisulphide; FEMA No. 2028; 3-(allyldisulfanyl)prop-1-ene; CCRIS 6290; HSDB 595; Garlicin ; diAllS2; EINECS 218-548-6; NSC 29228; di-Propenyl disulfide; BRN 1699241; di-2-propenyldisulfide; di-2-Propenyl disulfide; AI3-35128; DSSTox_CID_15206; DSSTox_RID_79248; DSSTox_GSID_35206; SCHEMBL93944; SPECTRUM1505174; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, >=80%, FG; DTXSID9035206; FEMA 2028; 3-(Allyldisulfanyl)-1-propene #; NSC29228; ZINC1531082; 3,3'-disulfanediylbis(prop-1-ene); Tox21_302178; 7491AF; BDBM50318453; Diallyl disulfide, >=98% (HPLC); NSC-29228; NSC797351; Diallyl disulfide, analytical standard; 3-(prop-2-enyldisulfanyl)-1-propene; AKOS015840490; Allyl disulfide, technical grade, 80%; CCG-214421; HY-W015635; MCULE-7486690483; NSC-797351; NCGC00095294-01; NCGC00095294-02; NCGC00255533-01; NCI60_002410; CAS-2179-57-9; DB-003623; D0071; FT-0624594; C08369; D89587; A815665; Q419633; SR-05000002379; J-014293; SR-05000002379-1; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29228	.	.	.	.	146.3	C6H10S2	50.6	58.9	2.2	8	0	2	5	"InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2"	C=CCSSCC=C	PFRGXCVKLLPLIP-UHFFFAOYSA-N
DG50302	Victoria Blue R	16599	"Victoria Blue R; Basic Blue 11; 2185-86-6; BASIC BLUE K; Victoria Blue RS; Victoria Lake Blue R; Hidaco Victoria Blue R; Aizen Victoria Blue BOH; C.I. Basic Blue 11; C.I. 44040; CI 44040; MFCD00011876; [4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride; Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1); vic-toria blue r; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (1:1); Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride; EINECS 218-572-7; NSC 11240; VICTORIABLUER; C.I. Basic Blue 11 (7CI,8CI); C29H32ClN3; SCHEMBL125523; SCHEMBL2856656; SCHEMBL23064843; SCHEMBL23064844; CHEBI:90518; DTXSID90883804; NSC11240; NSC-11240; Victoria Blue R (C.I. 44040); Victoria Blue R, Dye content 80 %; AKOS000283093; AKOS015901187; AKOS030241786; N,N'-(N,N'-Tetramethyl)-1-diaminodiphenylnaphthylaminomethane hydrochloride; MCULE-3666948173; (4-((4-(Dimethylamino)phenyl)(4-(ethylamino)-1-naphthyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride; O789; Q7927164; W-107515; N-(4-((4-(Dimethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; N-(4-((4-(dimethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11240	.	.	.	.	458	C29H32ClN3	20.4	670	.	33	1	3	5	"InChI=1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H"	CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-]	JEVGKYBUANQAKG-UHFFFAOYSA-N
DG50303	Dienochlor	16686	"Dienochlor; 2227-17-0; Decachlor; PENTAC; Pentac SP; Pentac WP; Dienochlore; Hooker hrs-16; Hooker HRS 1654; Bis(pentachlorocyclopentadienyl); HRS 16A; Decachlorobi-2,4-cyclopentadien-1-yl; HRS 1654; Bis(pentachloro-2,4-cyclopentadien-1-yl); Decachlorobi-2,4-cyclopentadiene-1-yl; ENT 25,718; Decachlorobis(2,4-cyclopentadiene-1-yl); Bis(pentachlor-2,4-cyclopentadien-1-yl); NSC 26106; NSC 41880; Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro-; UNII-243Z2SVZ40; Bi-2,4-cyclopentadien-1-yl, decachloro-; 1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene; HRS 16; CHEBI:81753; 243Z2SVZ40; 1,1',2,2',3,3',4,4',5,5'-Decachlorobi-2,4-cyclopentadien-1-yl; Bi-2, decachloro-; Caswell No. 274; perchloro-[1,1'-bi(cyclopentane)]-2,2',4,4'-tetraene; Pentac (50WP); Dienochlor [BSI:ISO]; Dienochlore [ISO-French]; CCRIS 9112; HRS-16; HSDB 1557; EINECS 218-763-5; EPA Pesticide Chemical Code 027501; BRN 2064747; Bi-2, 1,1',2,2',3,3',4,4',5,5'-decachloro-; Decachlorobis(2,4-cyclopentadien-1-yl); Perchloro-1,1'-bicyclopenta-2,4-diene; Perchloro-1,1'-bicyclopenta-2,4-dienyl; Pentac aquaflow; AI3-25718; WLN: L5 AHJ AG BG CG DG EG A- AL5 AHJ AG BG CG DG EG; 4-05-00-01542 (Beilstein Handbook Reference); SCHEMBL117767; CHEMBL1355965; DTXSID9032371; NSC26106; NSC41880; NSC-26106; NSC-41880; ZINC17654963; AKOS015903347; MCULE-6209629508; NCGC00166129-01; perchloro-1,1'-bi(cyclopenta-2,4-diene); DB-045862; FT-0634148; Dienochlor, PESTANAL(R), analytical standard; C18446; J-014617; Q3032700; Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41880	.	.	.	.	474.6	C10Cl10	0	530	6.3	20	0	0	1	"InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18"	C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	LWLJUMBEZJHXHV-UHFFFAOYSA-N
DG50304	Phenethyl isothiocyanate	16741	"2-Phenylethyl isothiocyanate; Phenethyl isothiocyanate; 2257-09-2; Phenylethyl isothiocyanate; (2-Isothiocyanatoethyl)benzene; Phenethyl mustard oil; Benzene, (2-isothiocyanatoethyl)-; Phenylaethylsenfoel; 2-isothiocyanatoethylbenzene; PEITC; Phenylethyl mustard oil; PHENETHYLISOTHIOCYANATE; phenethyl-isothiocyanate; 2-phenethyl isothiocyanate; 2-phenylethylisothiocyanate; ISOTHIOCYANIC ACID, PHENETHYL ESTER; beta-Phenethyl isothiocyanate; beta-Phenylethyl isothiocyanate; CHEBI:351346; MFCD00004821; NSC 87868; UNII-6U7TFK75KV; 6U7TFK75KV; CHEMBL151649; .beta.-Phenethyl isothiocyanate; 1-Isothiocyanato-2-phenylethane; .beta.-Phenylethyl isothiocyanate; 1-(2-isothiocyanatoethyl)benzene; (2-Isothiocyanato-ethyl)-benzene; Isothiocyanic Acid 2-Phenylethyl Ester; JC-5411; Phenylaethylsenfoel [German]; 1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4); CCRIS 3146; EINECS 218-855-5; BRN 2084162; DSSTox_CID_1120; WLN: SCN2R; beta-phenethylisothiocyanate; ss-Phenethyl isothiocyanate; Epitope ID:138724; b-phenylethyl isothiocyanate; DSSTox_RID_75951; DSSTox_GSID_21120; 2-phenyl ethyl isothiocyanate; SCHEMBL156960; Phenethyl isothiocyanate, 99%; DTXSID5021120; IZJDOKYDEWTZSO-UHFFFAOYSA-; (2-Isothiocyanatoethyl)benzene #; 2-Phenylethyl isothiocyanate, FG; HMS1783C17; HMS3870G13; NSC87868; ZINC2022074; Tox21_200100; (2-Isothiocyanatoethyl)benzene, 9CI; BBL009999; BDBM50240850; JC5411; NSC-87868; STK397325; AKOS000119469; DB12695; JC 5411; JC 5411JC-5411; MCULE-7681211375; Isothiocyanic acid beta-phenylethyl ester; NCGC00248526-01; NCGC00257654-01; AC-12769; AS-17373; BP-12941; NCI60_041942; U800; CAS-2257-09-2; DB-045947; Isothiocyanic acid .beta.-phenylethyl ester; FT-0604634; P0986; Phenethyl isothiocyanate, analytical standard; D92051; 4-12-00-02476 (Beilstein Handbook Reference); A816267; J-802164; Q7181339; W-107466; BRD-K56700933-001-02-1; F0001-0795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87868	.	.	.	.	163.24	C9H9NS	44.4	144	3.5	11	0	2	3	"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2"	C1=CC=C(C=C1)CCN=C=S	IZJDOKYDEWTZSO-UHFFFAOYSA-N
DG50305	5-Nitrosotropolone	16807	"5-Nitrosotropolone; RCH 108; 2297-94-1; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-5-NITROSO-; RCH-108; BRN 2043142; SCHEMBL916360; DTXSID50879046; NSC53101; ZINC4722102; NSC 53101; NSC-53101; 2,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitroso-; 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one; 5-(Hydroxyimino)-3,6-cycloheptadiene-1,2-dione; 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one #; 2,4,6-CYCLOHEPTATRIENE-1-ONE, 2-HYDROXY-5-NITROS"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53101	.	.	.	.	151.12	C7H5NO3	66.7	286	0.8	11	1	4	0	"InChI=1S/C7H5NO3/c9-6-3-1-5(8-11)2-4-7(6)10/h1-4H,(H,9,10)"	C1=CC(=O)C(=CC=C1N=O)O	FYTNKOSUJSUKML-UHFFFAOYSA-N
DG50306	Thioflavin T	16953	"Thioflavin T; Thioflavine T; 2390-54-7; Basic yellow 1; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride; Setoflavine T; C.I. Basic Yellow 1; Tannoflavine T; Setoflavin T; Rhoduline Yellow; Thioflavin TG; Thioflavine TCN; Thioflavine TG; Citroflavine 8G; Primoflavine 8G; Thioflavin TCN; Basic Yellow T; Purimofurabin 8G; Acronol Yellow T; Thioflavine TCND; C.I. 49005; Acronol Yellow TC; Methylene Yellow N; Brilliant Flavine T; Methylene Yellow NI; Thioflavin TCN extra; Acronol Lake Yellow T; Acronol Lake Yellow TC; Acronol Yellow TC180; Nankai Basic Flavine 8G; Kansai Basic Flavine 8GO; MFCD00011944; Thioflavine; Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride; UNII-CAX9SG0II0; CAX9SG0II0; 1326-12-1; Methyldehydrothio-p-toluidine sulfonate; CHEMBL224392; CHEBI:76023; 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline chloride; 3,6-Dimethyl-2-dimethylaminophenylbenzothiazolium chloride; 2-[4-(DIMETHYLAMINO)PHENYL]-3,6-DIMETHYLBENZOTHIAZOLIUM CHLORIDE; 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium chloride; Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1); 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chloride; Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride; 2-[4-(Dimethylamino)phenyl]-3,6-dimethylbenzo[d]thiazol-3-ium Chloride; 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;chloride; Benzothiazolium, 2-(4-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (1:1); EINECS 219-228-9; NSC 11235; Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride; SCHEMBL25298; Basic Yellow 1Basic Yellow 1; SCHEMBL11428556; DTXSID10883841; AMY37135; HY-D0218; NSC11235; NSC-11235; Benzothiazolium,6-dimethyl-, chloride; AKOS016007447; CS-7552; CS-W009025; MCULE-5464762736; Thioflavin T - CAS 2390-54-7; Thioflavin T, used as stain for amyloid; AS-72625; BP-30130; SY074376; FT-0744526; T0558; Z4469; O10470; T-3730; A930157; Q2033625; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo-[d]thiazol-3-ium chloride; 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T); Benzothiazolium, 2-(p-(dimethylamino)phenyl)-3,6-dimethyl-, chloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11235	.	.	.	.	318.9	C17H19ClN2S	35.4	325	.	21	0	3	2	"InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1"	CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]	JADVWWSKYZXRGX-UHFFFAOYSA-M
DG50307	Ethyl violet	16955	"Ethyl violet; Basic Violet 4; 2390-59-2; C.I. Basic Violet 4; Ethyl Violet AX; C.I. 42600; Ethyl Violet GGA; Ethyl crystal violet; Shikiso Acid Brilliant Blue 6B; Ethyl Violet (Biological Stain); UNII-94UZ9RD7TJ; MFCD00011765; ethylviolet; 94UZ9RD7TJ; MLS002702521; CHEBI:88010; Ethyl Violet (C.I. 42600); (4-(Bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium chloride; [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride; Lowacryl Violet 4; Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; Ethanaminium,N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; MLS001359914; Ethyl crystal violet; Lowacryl Violet 4; Shikiso Acid Brilliant Blue 6B; Ethyl purple 6B; Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; CCRIS 2452; NSC 8675; SMR001224407; EINECS 219-231-5; C31H42N3.Cl; Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1); Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1); SCHEMBL81879; CHEMBL1698845; DTXSID5038913; C.I. Basic Violet 4 (8CI); NSC8675; HMS3053C17; NSC-8675; 6932AF; AKOS015903204; MCULE-8318148980; 4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium chloride; AS-83517; Ethyl Violet, cationic triarylmethane dye; CS-0022145; FT-0622588; D90458; A878107; J-015265; Q10391665; Ethyl Violet [Sensitive spectrophotometric reagent for anionic surfactants]; N-(4-{bis[4-(diethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8675	.	.	.	.	492.1	C31H42ClN3	9.5	615	.	35	0	3	10	"InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-]	JVICFMRAVNKDOE-UHFFFAOYSA-M
DG50308	8-(Dimethylamino)methyleneamino-6-methoxyquinoline	16986	"NSC665668; BRN 0476093; 8-(Dimethylamino)methyleneamino-6-methoxyquinoline; 2401-80-1; FORMAMIDINE, N,N-DIMETHYL-N'-(6-METHOXY-8-QUINOLINYL)-; CHEMBL1984863; NSC-665668; NCI60_022655; N'-(6-methoxy-8-quinolyl)-N,N-dimethyl-formamidine; N'-(6-Methoxy-8-quinolinyl)-N,N-dimethylimidoformamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665668	.	.	.	.	229.28	C13H15N3O	37.7	267	1.7	17	0	3	3	"InChI=1S/C13H15N3O/c1-16(2)9-15-12-8-11(17-3)7-10-5-4-6-14-13(10)12/h4-9H,1-3H3"	CN(C)C=NC1=C2C(=CC(=C1)OC)C=CC=N2	BUXTWLVXBUNDQZ-UHFFFAOYSA-N
DG50309	Triglycidyl isocyanurate	17142	"Triglycidyl isocyanurate; 2451-62-9; 1,3,5-Triglycidyl isocyanurate; Teroxirone; 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione; TGIC; Triglycidylisocyanurate; Tris(2,3-epoxypropyl) isocyanurate; Glycidyl isocyanurate; Tri(epoxypropyl)isocyanurate; Tris(2,3-epoxypropyl)isocyanurate; Tris(epoxypropyl) isocyanurate; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-; XB 2615; Triglycidyl Isocyanurate (TGIC); Tris(2-epoxypropyl) isocyanurate; 1,3,5-Triglycidylisocyanuric acid; N,N',N''-Triglycidyl isocyanurate; MLS002703049; TGT; DTXSID4026262; s-Triazine-2,4,6(1H,3H,5H)-trione, tris(2,3-epoxypropyl)-; Isocyanuric Acid Triglycidyl Ester; s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-; NSC-296934; NSC296934; NCGC00091182-01; DSSTox_CID_6262; Isocyanuric Acid Tris(2,3-epoxypropyl) Ester; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-oxiranylmethyl)-; NSC 296964; BRN 0765833; DSSTox_RID_78079; DSSTox_GSID_26262; 1,5-Triglycidyl isocyanurate; 1,5-Triglycidylisocyanuric acid; Araldite PT 810; Henkel's compound; ALPHATGI; 1,3,5-Triglycidyl-s-triazinetrione; Tris(epoxypropyl)isocyanurate; SMR001223822; CAS-2451-62-9; NSC 296934; CCRIS 6112; HSDB 7188; EINECS 219-514-3; s-Triazine-2,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-; 1,3,5-Tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; GATGI; NSC 269934; EC 219-514-3; SCHEMBL4932; Isocyanuricacidtriglycidylester; 28825-96-9; MLS006011655; CHEMBL453863; .alpha.-triglycidyl isocyanurate; BDBM442751; Tox21_111097; Tox21_201660; Tox21_300119; MFCD00080670; NSC296964; s2427; Triglycidyl Isocyanurate (Teroxirone); AKOS000269627; AKOS016039416; CS-W012150; HY-W011434; MCULE-5172595440; NSC-296964; NCGC00091182-02; NCGC00091182-03; NCGC00091182-04; NCGC00091182-05; NCGC00091182-06; NCGC00091182-07; NCGC00254066-01; NCGC00259209-01; AC-18356; AS-12208; NCI60_002484; DB-046472; FT-0627405; I0428; Tris(2,3-epoxypropyl)-1,3,5-triazinantrion; F20307; Tris(2,3-epoxypropyl) Isocyanurate Isocyanurate; A817349; Q2453240; Triglycidyl Isocyanurate (Electronic Grade, Type 1); Triglycidyl Isocyanurate (Electronic Grade, Type 2); W-107310; F0777-0193; Triglycidyl Isocyanurate (Powder Coating Grade, Type 7); Triglycidyl Isocyanurate (Powder Coating Grade, Type 8); 1,3,5-Triglycidyl isocyanurate(Columns or Chunks or pellets); 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazinane-2,4,6-trione; 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazinane-2,4,6-trione #; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(2-oxiranylmethyl)-, homopolymer; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (.alpha.)-; 1,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)-, (.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	296934	.	.	.	.	297.26	C12H15N3O6	98.5	416	-1.5	21	0	6	6	"InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2"	C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4	OUPZKGBUJRBPGC-UHFFFAOYSA-N
DG50310	Auramine O	17170	"Auramine O; 2465-27-2; Basic Yellow 2; AURAMINE HYDROCHLORIDE; Auramin; Mitsui Auramine O; Auramine Yellow; C.I. Basic Yellow 2; Aizen auramine; Auramine Extra; Auramine Pure; Auramine N; Auramine chloride; Auramine FA; Auramine II; Auramine ON; Auramine OS; Auramine SP; Auramine FWA; Auramine OOO; Adc Auramine O; Auramine A1; Aizen auramine OH; Calcozine Yellow OX; Auramine 0-100; Auramine OO; Auramine-O; Auramine Lake Yellow O; Auramine Extra Conc. A; Aizen Auramine conc.SFA; Basic Yellow 2, fugitive; Aizen Auramine Conc. SFA; Auramine O (biological stain); C.I. 41000; C.I. Basic Yellow 2, Monohydrochloride; Auramine O Extra Conc. A Export; 4,4'-(Iminomethylene)bis(N,N-dimethylaniline) hydrochloride; UNII-DL992L7W39; (Tetramethyldiamino)diphenylketoimine hydrochloride; Auramine conc. specially soluble in spirit; 1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride; MFCD00012484; Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, monohydrochloride; 4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride; 4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride; CHEBI:51876; Auramine, monohydrochloride; Benzophenoneidum; DL992L7W39; 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride; Auramine, hydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, monohydrochloride; DSSTox_CID_114; Zlut zasadita 2; DSSTox_RID_75376; Auramine O;Auramine Yellow;C.I. Basic Yellow 2; DSSTox_GSID_20114; Auramine (VAN); CI Basic Yellow 2; 4,N-dimethylamine] monohydrochloride; Pyoctaninum aureum; Auramine O (C.I. 41000); CAS-2465-27-2; WLN: 1N1&R DYUM&R DN1&1 &GH; CCRIS 1635; HSDB 5532; NSC 4045; EINECS 219-567-2; NSC 47707; NSC 93737; 4:4'-Bis(dimethylamino)benzophenoneimine hydrochloride; CI Basic Yellow 2, monohydrochloride; 4,4'-Bis(dimethylamino)benzhydrylidenimine hydrochloride; Aniline,4'-imidocarbonylbis[N,N-dimethyl-, hydrochloride; CI 41000; Aniline,4'-imidocarbonylbis[N,N-dimethyl-, monohydrochloride; C17H21N3.HCl; Benzenamine,4'-carbonimidoylbis[N,N-dimethyl-, monohydrochloride; 4,4'-Carbonimidoylbis(N,N-dimethylaniline) monohydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl-, hydrochloride (1:1); Benzenamine, 4,4'-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1); 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride; Auramine O, indicator; Aniline, 4,4'-(imidocarbonyl)bis(N,N-dimethyl-, hydrochloride; Aniline, 4,4'-imidocarbonylbis(N,N-dimethyl-, monohydrochloride; Benzenamine, 4,4'-carbonimidoylbis(N,N-dimethyl)-, monohydrochloride; SCHEMBL142515; CHEMBL1612246; DTXSID9020114; Solvent Yellow 34 Hydrochloride; NSC4045; AMY22369; NSC-4045; NSC93737; Tox21_202337; Tox21_303002; NSC-93737; AKOS000283034; MCULE-3264911424; NCGC00091235-01; NCGC00256596-01; NCGC00259886-01; L989; A0334; CS-0016905; FT-0622507; EN300-74228; C.I. Basic Yellow 2, monohydrochloride (8CI); D88246; A877845; bis[4-(dimethylamino)phenyl]methaniminium chloride; J-015616; Q2025070; Z1266933828; 4,4-(Iminomethylene)bis(N,N-dimethylaniline) hydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline) monohydrochloride; 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline)monohydrochloride; 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride; Auramine O, Dye content 85 %, certified by the Biological Stain Commission; 4-{[4-(Dimethylamino)phenyl]carboximidoyl}-N,N-dimethylaniline hydrochloride (Auramine O); Auramine O, Dye content >=80 %, certified by the Biological Stain Commission"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4045	.	.	.	.	303.8	C17H22ClN3	30.3	278	.	21	2	3	4	"InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H"	CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl	KSCQDDRPFHTIRL-UHFFFAOYSA-N
DG50311	Diacetamate	17499	"Diacetamate; 2623-33-8; 4-Acetamidophenyl acetate; 4'-Acetoxyacetanilide; P-ACETOXYACETANILIDE; Acetaminophen acetate; 4-Acetoxyacetanilide; Acetamide, N-[4-(acetyloxy)phenyl]-; Diacetamat; N,O-Diacetyl-4-aminophenol; (4-acetamidophenyl) acetate; 4-(Acetylamino)phenyl acetate; N-Acetyl-4-aminophenyl acetate; UNII-BFG1TY61BG; N-[4-(Acetyloxy)phenyl]acetamide; NSC 6083; NSC 33893; BFG1TY61BG; Acetaminophen Related Compound A; NSC-6083; NSC-33893; Acetamide, N-(4-(acetyloxy)phenyl)-; NCGC00160605-01; Acetanilide, acetate (ester); Diacetamato; Diacetamatum; O-Acetylparacetamol; Diacetamate [INN:BAN]; Diacetamatum [INN-Latin]; Diacetamato [INN-Spanish]; 4-(Acetylamino)phenyl Acetate (N,O-Diacetyl-4-aminophenol); Acetaminophen Acetate (Acetaminophen Impurity); EINECS 220-077-6; AI3-17250; Acetanilide, 4'-hydroxy-, acetate (ester); Maybridge1_006198; N,o-diacetyl-4-aminopheno; O,N-Diacetyl-4-aminophenol; DSSTox_CID_26256; DSSTox_RID_81483; DSSTox_GSID_46256; MLS006011695; SCHEMBL863106; ZINC1270; CHEMBL2106185; DTXSID2046256; HMS559B16; NSC6083; HMS3264O15; Pharmakon1600-01504515; Acetanilide, 4'-hydroxy-, acetate; NSC33893; Tox21_111931; MFCD00059205; NSC758889; STL034244; AKOS002255264; 3-(4-METHYLBENZOYL)ACRYLICACID; Acetic acid 4-acetylamino-phenyl ester; CCG-213946; MCULE-7450489807; NSC-758889; Acetic acid 4-(acetylamino)phenyl ester; AS-48014; HY-66004; SMR002530013; CAS-2623-33-8; SBI-0207076.P001; A0067; CS-0005650; FT-0661040; VU0606051-1; F17539; AB01563223_01; AG-670/32634053; SR-01000872731; 4'-Acetoxyacetanilide (Acetaminophen RCA) solution; Acetanilide, 4'-hydroxy-, acetate (ester) (8CI); J-016335; SR-01000872731-1; BRD-K93611241-001-01-4; Q27274637; F3228-0190; 4'-Acetoxyacetanilide (Acetaminophen RCA) solution, 250 mug/mL in acetonitrile, certified reference material, ampule of 1 mL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758889	.	.	.	.	193.2	C10H11NO3	55.4	219	0.8	14	1	3	3	"InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)"	CC(=O)NC1=CC=C(C=C1)OC(=O)C	UJAOSPFULOFZRR-UHFFFAOYSA-N
DG50312	6-Chrysenamine	17534	"6-Chrysenamine; 6-AMINOCHRYSENE; 2642-98-0; chrysen-6-amine; Chrysenex; Chrysen-6-ylamine; Chrysonex; 6-Amc; UNII-I56L81BL2L; MLS002694408; CHEMBL313154; I56L81BL2L; CCRIS 755; EINECS 220-149-7; NSC 80186; BRN 2114213; AI3-52707; 6-Aminochrysene, 95%; NCIOpen2_004212; SCHEMBL93764; CHEBI:93927; DTXSID70181017; WLN: L E6 B666J MZ; HMS3089G14; HMS3749O15; NSC80186; ZINC1482006; BDBM50128871; NSC-80186; AKOS015903205; CS-7953; MCULE-8467806212; SMP2_000116; SMR001560337; DB-046951; HY-108315; FT-0634423; A818443; J-016423; BRD-K00656370-001-01-4; Q27165680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80186	.	.	.	.	243.3	C18H13N	26	326	5	19	1	1	0	"InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2"	C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N	KIVUHCNVDWYUNP-UHFFFAOYSA-N
DG50313	"1,2,4-Trichloro-3,5-dinitrobenzene"	17584	"1,2,4-Trichloro-3,5-dinitrobenzene; Olpizan; 2678-21-9; Brassisan; UNII-539V5Y7R7K; Benzene, 1,2,4-trichloro-3,5-dinitro-; 1,3-Dinitro-2,4,5-trichlorobenzene; 1,2,5-TRICHLORO-4,6-DINITROBENZENE; 539V5Y7R7K; 3,5-dinitro-1,2,4-trichlorobenzene; 1,2,4-tri-chloro-3,5-dinitrobenzene; NSC 5278; EINECS 220-228-6; 1,3,4-Trichloro-2,6-dinitrobenzene; 2,6-Dinitro-1,3,4-trichlorobenzene; AI3-23491; 2,3,4-trichlorobenzene; SCHEMBL5579130; NIOSH/CZ7880000; DTXSID30181290; NSC5278; 1,4-Trichloro-2,6-dinitrobenzene; 1,4-Trichloro-3,5-dinitrobenzene; NSC-5278; ZINC1680815; 2,4,5-Trichlor-1,3-dinitrobenzol; AKOS004120143; Benzene,2,4-trichloro-3,5-dinitro-; 1,2,4-trichloro-3,5-dinitro-benzene; MCULE-6807795704; Benzene, 1,3-dinitro-2,4,5-trichloro-; CZ78800000; FT-0606263; 2,4,5-Trichlor-1,3-dinitrobenzol [German]; Q27261092"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5278	.	.	.	.	271.4	C6HCl3N2O4	91.6	279	3.1	15	0	4	0	InChI=1S/C6HCl3N2O4/c7-2-1-3(10(12)13)5(9)6(4(2)8)11(14)15/h1H	C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]	OFMRACCIIIDSDN-UHFFFAOYSA-N
DG50314	Thiocolchicine	17648	"Thiocolchicine; Thiocholchicine; 2730-71-4; Colchicine, 10-thio-; Colchicine, 10-demethoxy-10-(methylthio)-; UNII-47541468FI; NSC186301; CHEMBL18981; N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; 47541468FI; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; N-((S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; MLS002703025; EINECS 220-346-8; 10-Demethoxy-10-methylthiocolchicine; EC 220-346-8; COLCHICINE, 10-DEMETHOXY-10-METHYLTHIO-; SCHEMBL43160; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-; Colchicine, 10-thio- (8CI); DTXSID90181751; ZINC5203255; BDBM50009568; AKOS030242228; NSC-186301; NCGC00485411-01; NCGC00485411-02; Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; NCI60_001549; HY-116852; CS-0066689; J-016725; Q27259007; (Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); Acetamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide (Thiocolchicine); N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide(Thiocolchicine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	186301	.	.	.	.	415.5	C22H25NO5S	99.2	744	1.8	29	1	6	5	"InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	CMEGANPVAXDBPL-INIZCTEOSA-N
DG50315	N-Deacetylthiocolchicine	17649	"N-Deacetylthiocolchicine; Thio-colciran; Thiolcolciran; 2731-16-0; N-Desacetylthiocolchicine; COLCHICINE, N-DEACETYL-10-THIO-; Corps R. 261; Thiocolciran; N-Deacetylmethylthiocolchicine; Colchicine, N-deacetyl-thio-; NSC9170; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)-; CHEMBL298240; (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; Deacetylthiocolchicine; Desacetyl thiocolchicine; N-Desacetyl thiocolchicine; MLS002702975; NSC 9170; BRN 2822164; R 261; (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; N-Deacetyl-10-demethoxy-10-methylthiocolchicine; Colchicine, N-deacetyl-10-demethoxy-10-methylthio-; N-desacetyl-thiocolchicine; N-Deacetyl-10-thiocolchicine; cid_426728; SCHEMBL5434553; DTXSID90181756; PKH 147; NSC-9170; ZINC1735168; BDBM50014875; NCI60_042026; CS-0104812; R-261; D76467; WLN: L B677 MV&T&J CO1 DO1 EO1 JZ NS1; (S)-7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; 7-Amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)- (9CI); Benzo[a]heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9170	.	.	.	.	373.5	C20H23NO4S	96.1	642	1.5	26	1	6	4	"InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC	NUNCOHUMTCDISK-AWEZNQCLSA-N
DG50316	Miripirium chloride	17671	"Miripirium chloride; 2748-88-1; 4-methyl-1-tetradecylpyridin-1-ium chloride; Quatresin; Myristyl-gamma-picolinium chloride; Wet-Tone B; MYRISTYL-G-PICOLINIUM CHLORIDE; Pyridinium, 4-methyl-1-tetradecyl-, chloride; 4-Methyl-1-tetradecylpyridinium chloride; Miripirium chloride [INN]; 4-methyl-1-tetradecylpyridin-1-ium;chloride; UNII-3D6CWI0P23; Tetradecyl-4-methylpyridinium chloride; 1-Myristylpicolinium; 1-TETRADECYL-4-PICOLINIUM CHLORIDE; 3D6CWI0P23; NSC-36338; Miripirium chloride (INN); Pyridinium, 4-methyl-1-tetradecyl-, chloride (1:1); Miripirii chloridum; Cloruro de miripirio; Chlorure de miripirium; Miripirii chloridum [INN-Latin]; NCGC00181085-01; Cloruro de miripirio [INN-Spanish]; EINECS 220-387-1; Chlorure de miripirium [INN-French]; NSC 36338; 4-Picolinium, 1-tetradecyl-, chloride; 4-Picolinium, chloride; DSSTox_CID_26834; DSSTox_RID_81946; DSSTox_GSID_46834; myristyl--picolinium chloride; SCHEMBL58027; 1-Myristylpicolinium Chloride; CHEMBL2107233; DTXSID2046834; BCP16386; CAA74888; EX-A5405; NSC36338; WLN: T6KJ A14 D1 &G; Myristyl-.gamma.-picolinium chloride; Tox21_112704; MFCD00050342; AKOS015891973; AM84867; Myristyl-'-picolinium chloride, 100 mg; AS-76010; CAS-2748-88-1; DB-047232; CS-0187033; FT-0603618; WLN: T6KJ A14 D &G &3/13; D10217; D97547; 1-ETHYL-2-ETHYLTHIO-6-METHOXYQUINOLINIUMIODIDE; Q27257063; 1-Tetradecyl-4-picolinium chloride 100 microg/mL in Acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36338	.	.	.	.	326	C20H36ClN	3.9	206	.	22	0	1	13	"InChI=1S/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]	ZCTSINFCZHUVLI-UHFFFAOYSA-M
DG50317	"2-Amino-3-chloro-1,4-naphthoquinone"	17748	"2797-51-5; Quinoclamine; 2-Amino-3-chloro-1,4-naphthoquinone; 2-amino-3-chloronaphthalene-1,4-dione; ACNQ; Quinoclamin; Mogeton; 06K-Quinone; O 6K-quinone; 1,4-Naphthalenedione, 2-amino-3-chloro-; Mogeton granule; Mogeton G; 2-Amino-3-chloronaphthoquinone; 1,4-Naphthoquinone, 2-amino-3-chloro-; NSC 3910; 2-Chloro-3-amino-1,4-naphthoquinone; 06K-50W; UNII-JN6NK7K14F; NSC 642009; MFCD00001680; 06K; JN6NK7K14F; MLS002701536; CHEBI:81849; NSC3910; NSC642009; 2-Amino-3-chloro-[1,4]naphthoquinone; 2-amino-3-chloro-1,4-dihydronaphthalene-1,4-dione; Quinoclamine [ISO]; EINECS 220-529-2; BRN 2094762; 1, 2-amino-3-chloro-; SCHEMBL119489; Quinoclamine pound>>Quinoclamin; CHEMBL156959; DTXSID1041390; OBLNWSCLAYSJJR-UHFFFAOYSA-; WLN: L66 BV EVJ CZ DG; BCP21702; CAA79751; DNDI1416924; NSC-3910; ZINC1506256; STK260051; 3-Chloro-2-amino-1,4-naphthoquinone; AKOS000108631; DS-0569; MCULE-7890145658; NSC-642009; Quinoclamine 100 microg/mL in Acetone; RTI1218-1-1; 2-amino-3-chloro-naphthalene-1,4-dione; NCI60_014211; SMR001565137; SY047011; DB-080905; HY-121632; 2-azanyl-3-chloranyl-naphthalene-1,4-dione; A1288; BB 0218018; CS-0082921; FT-0611049; C18584; E78086; Quinoclamine, PESTANAL(R), analytical standard; A819269; 2-amino-3-chloro-1,4-dihydro-1,4-dioxonaphthalene; Q2123248; W-107083; 2-amino-3-chloro-1,4-dihydro-1,4-dioxo-naphthalene; Z57178974; Butanedioic acid,4-dihydro-1,4-dioxo- 2-naphthalenyl)amino]1,2-dioxo]ethyl]-3-oxo-, dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	642009	.	.	.	.	207.61	C10H6ClNO2	60.2	335	2.1	14	1	3	0	"InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N	OBLNWSCLAYSJJR-UHFFFAOYSA-N
DG50318	S-Methyl methanethiosulfonate	18064	"S-Methyl methanethiosulfonate; 2949-92-0; Methyl methanethiolsulfonate; S-Methyl methanesulfonothioate; Methyl methanethiosulfonate; Methanesulfonothioic acid, S-methyl ester; Methanethiosulfonic Acid S-Methyl Ester; s-methyl methanethiolsulfonate; S-Methyl methanethiosulphonate; Methyl methanesulfonothioate; methylsulfonylsulfanylmethane; (METHANESULFONYLSULFANYL)METHANE; dimethyl thiosulfonate; UNII-0906Z2356U; methylmethanethiosulfonate; methyl methanethiolsulfate; s-methyl methylthiosulfonate; METHANESULFONIC ACID, THIO-, S-METHYL ESTER; CHEBI:74357; NSC21545; Methanethiosulfonic acid, S-methyl ester; 0906Z2356U; S-Methyl thiomethanesulfonate; CCRIS 7217; EINECS 220-970-0; NSC 21545; s-methylmethanethiosulfonate; BRN 1446059; METHYL METHANETHIO-SULFONATE; MeSSO2Me; MFCD00007565; methyl methanethiol sulfonate; methyl methanethiol-sulfonate; methylsulfonylsulfanyl-methane; s-methyl methanethionsulfonate; 4-04-00-00031 (Beilstein Handbook Reference); SCHEMBL136797; CHEMBL1236925; DTXSID8062739; ZINC4268917; S-Methyl methanethiosulfonate, 97%; BBL104000; NSC-21545; STL557811; AKOS006221195; CS-W004461; MCULE-2094653694; MS-20744; A5499; AM20080910; FT-0600785; FT-0671958; FT-0671959; M1382; H10854; S-Methyl methanethiosulfonate, analytical standard; J-017549; Q27144634; S-Methyl methanethiosulfonate, purum, >=98.0% (GC); Methyl methanethiolsulfonate;S-Methyl methanethiolsulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21545	.	.	.	.	126.2	C2H6O2S2	67.8	106	0	6	0	3	1	"InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3"	CSS(=O)(=O)C	XYONNSVDNIRXKZ-UHFFFAOYSA-N
DG50319	"2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE"	18074	"UNII-I0MHR2XFA0; I0MHR2XFA0; 2961-87-7; 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE; NSC 85776; BRN 2001865; NSC85776; 2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate; CHEMBL1993051; DTXSID10183797; WLN: L7VJ BOVR DNW& CI; ZINC1760624; NSC-85776; 2-Hydroxy-3-iodo-2,6-cycloheptatrien-1-one p-nitrobenzoate; 2-Iodo-7-oxo-1,3,5-cycloheptatrien-1-yl=p-nitrobenzoate; 2,6-Cycloheptatrien-1-one, 2-hydroxy-3-iodo-, p-nitrobenzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85776	.	.	.	.	397.12	C14H8INO5	89.2	550	3.2	21	0	5	3	InChI=1S/C14H8INO5/c15-11-3-1-2-4-12(17)13(11)21-14(18)9-5-7-10(8-6-9)16(19)20/h1-8H	C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I	IDYYUTZSVVKPAW-UHFFFAOYSA-N
DG50320	"(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate"	18140	"(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate; LEO 275; RO 21-8837; NSC 89201; MLS002701936; NSC89201; 17.beta.-Estradiol 3-(bis(2-chloroethyl)carbamate); CHEMBL290686; SCHEMBL14031683; SMR001565519; FT-0603624; Estradiol {3-[bis(2-chloroethyl)carbamate]}; Estradiol, {3-[bis(2-chloroethyl)carbamate]}; 17.Beta.-Estradiol {3-[bis(2-chloroethyl)carbamate]}; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate; 17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate, (17.beta.)-; Carbamic acid, bis(2-chloroethyl)-, 17.beta.-hydroxyestra-1,3,5(10)-trien-3-yl ester; Estra-1,3,5(10)-triene-3, 17-diol, {3-[bis(2-chloroethyl)carbamate],} (17.beta.)-; Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, {3-[bis(2-chloroethyl)carbamate]}; Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate]; Estra-1,3,5(10)-triene-3,17-diol, 3-(bis(2-chloroethyl)carbamate), (17.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89201	.	.	.	.	440.4	C23H31Cl2NO3	49.8	585	4	29	1	3	6	"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3"	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl	FRPJXPJMRWBBIH-UHFFFAOYSA-N
DG50321	"N,N'-1,3-Phenylenedimaleimide"	18156	"3006-93-7; N,N'-1,3-Phenylenedimaleimide; N,N'-m-Phenylenedimaleimide; m-Dimaleimidobenzene; m-Phenylenedimaleimide; m-Phenylenebismaleimide; 1,3-Dimaleimidobenzene; HVA 2; N,N'-1,3-Phenylene bismaleimide; 1,3-Bismaleimidobenzene; M-Phdm; 1,3-Phenylenebismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-; N,N'-m-Phenylenemaleimide; HVA-2 curing agent; N,N-1,3-Phenylenedimaleimide; N,N'-(m-Phenylene)bismaleimide; UNII-MD8KF155CT; NSC 19639; 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione; N,N'-(1,3-Phenylene)dimaleimide; phenyl-1,3-bismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(phenylene)bis-; MD8KF155CT; MALEIMIDE, N,N'-(m-PHENYLENE)DI-; N,N'-m-phenylene bismaleimide; CHEMBL573689; 1,1'-(1,3-Phenylene)bis(1H-pyrrole-2,5-dione); 1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione; 1,1'-(Benzene-1,3-diyl)bis(1H-pyrrole-2,5-dione); N,N-1,3-Phenylene bismaleimide; 1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylene)bis-, homopolymer; 37453-16-0; N,N'-(m-Phenylenedimaleimide); 1,1'-(1,3-Phenylene)bis-1H-pyrrole-2,5-dione; EINECS 221-112-8; N.N-m-phenylene dimaleimide; BRN 0249503; Maleimide, N,N'-m-phenylenedi-; N,N''-1,3-Phenylenedimaleimide; 1,1'-(m-Phenylene)bis-1H-pyrrole-2,5-dione; Vanax MBM; m-Phenylenedi(maleimide); N,3-Phenylenedimaleimide; m-Phenylenebis(maleimide); N,N'-m-Phenyledimaleimide; DSSTox_CID_24415; DSSTox_GSID_44415; Maleimide,N'-m-phenylenedi-; SCHEMBL94730; NN'-13-Phenylenedimaleimide; N,N'-Meta-phenylenedimaleimide; N,N'-1,3-Bismaleimidobenzene; DTXSID3044415; N,N'-1,3-Phenylenebismaleimide; ZINC96890; BCP25887; N,N\\'-1,3-Phenylene bismaleimide; NSC19639; Tox21_303753; WLN: T5VNVJ BR C- BT5VNVJ; BDBM50300347; GEO-03119; GP-204; MFCD00022569; NSC-19639; STK386206; AKOS004115393; MCULE-9844464662; PS-5627; N,N'-(1,3-Phenylene)bis(maleinimide); NCGC00356976-01; CAS-3006-93-7; N,N'-(1,3-Phenylene)dimaleimide, 97%; DB-068208; CS-0156891; FT-0629595; P0976; 1H-Pyrrole-2, 1,1'-(1,3-phenylene)bis-; A820173; A936937; 1,1'-benzene-1,3-diylbis(1H-pyrrole-2,5-dione); Q-201424; 1,1'-(Benzene-1,3-diyl)bis(1H-pyrrole-2,5-dione; 1,1'-(m-Phenylene)bis-1H-pyrrole-2,5-dione (9CI); Q27283915; 1-[3-(2,5-dioxo-1-pyrrolyl)phenyl]pyrrole-2,5-dione; 3-PIPERIDINECARBOXYLICACID,5-METHYL-2-OXO-,ETHYLESTER; 1-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19639	.	.	.	.	268.22	C14H8N2O4	74.8	480	0.2	20	0	4	2	InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H	C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	IPJGAEWUPXWFPL-UHFFFAOYSA-N
DG50322	Colchiceinamid	18397	"Colchiceinamid; Colchicine amide; Colchicamide; Colchiceinamide; Colchicamid; 3123-89-5; Colchicide, 14-amino-; SKF 3192; COLCHICINE, 10-AMINO-10-DEMETHOXY-; N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Colchicenamide; 14-Aminocolchicide; Colchicamide (VAN); Colchiceeinamide; Colchiceeinamide [German]; Acetamide,N-[(7S)-10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-; NSC 403144; BRN 2824077; Colchiceinamide (8CI); 4-14-00-00921 (Beilstein Handbook Reference); Acetamide, N-(10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Colchicamide (colchiceinamide); CHEMBL357889; SCHEMBL12118701; DTXSID00185149; ZINC4025798; MFCD25368469; NSC403144; STL530408; AKOS030489333; MCULE-8842975256; NSC-403144; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; Acetamide, N-(10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403144	.	.	.	.	384.4	C21H24N2O5	99.9	726	0.3	28	2	6	4	"InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC	JWDFWIZNGSOUGC-INIZCTEOSA-N
DG50323	Methyl streptonigrin	18834	"Methyl streptonigrin; STREPTONIGRIN METHYL ESTER; 3398-48-9; MLS000766273; NSC45384; NSC-45384; UNII-H00548KV4H; SMR000528866; H00548KV4H; 2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Methyl ester streptonigrin; MES (VAN); methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinate; NSC 45384; BRN 5324543; AI3-52460; STN-OCH3; Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; CHEMBL2002947; BDBM71262; cid_5359866; DTXSID70955558; HMS2852I08; STREPTONIGRIN, METHYL ESTER; ZINC100365751; NCGC00246815-01; methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate; NCI60_004052; SR-01000775933; SR-01000775933-2; Q27279382; WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVO1; (4Z)-5-amino-6-(7-amino-5,8-diketo-6-methoxy-2-quinolyl)-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid methyl ester; (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1H-pyridine-2-carboxylic acid methyl ester; (aR)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid methyl ester; (aS)-3-Methyl-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-amino-6-(5,8-dioxo-6-methoxy-7-amino-5,8-dihydroquinoline-2-yl)pyridine-2-carboxylic acid methyl ester; 2-Pyridinecarboxylic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; methyl (4Z)-5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate; methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylate; Methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate; methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate; Picolinic acid,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Picolinic acid,8-dihydro-7-methoxy-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester; Picolinic acid,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45384	.	.	.	.	520.5	C26H24N4O8	186	960	2.1	38	3	12	7	"InChI=1S/C26H24N4O8/c1-10-15(11-7-9-14(35-2)24(36-3)21(11)31)16(27)20(30-18(10)26(34)38-5)13-8-6-12-19(29-13)23(33)17(28)25(37-4)22(12)32/h6-9,31H,27-28H2,1-5H3"	CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O	HKZHTIOXLTVSKR-UHFFFAOYSA-N
DG50324	Improsulfan	18949	"IMPROSULFAN; 13425-98-4; UNII-32Y1F7N1ZD; Yoshi 864; IPD hydrochloride; 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate; 3,3'-Iminobis(1-propanol) dimethanesulfonate; Compound 864; 32Y1F7N1ZD; improsan; NCI-C01547; Bis(3-mesyloxypropyl)amine hydrochloride; Improsulfan [INN]; Improsulfano; Improsulfanum; 1-Propanol-3,3'-iminodidimethanesulfonatehydrochloride; Improsulfanum [INN-Latin]; Improsulfano [INN-Spanish]; 1-Propanol, 3,3'-, dimethanesulfonate (ester), hydrochloride; 1-Propanol, 3,3'-iminobis-, dimethanesulfonate (ester), hydrochloride; 1-Propanol, 3,3'-iminodi-, dimethanesulfonate (ester), hydrochloride; 3,3'-Imidodi-1-propanol, dimethanesulfonate (ester), hydrochloride; NSC102627; 3458-22-8; BRN 1981708; 3,3-Iminobis-1-propanol dimethanesulfonate (ester); 3,3'-Iminobis-1-propanol dimethanesulfonate; 864 (*Hydrochloride*); SCHEMBL8954; bis(3-mesyloxypropyl)-amine; CHEMBL96292; 3,3'-Iminodi-1-propanol dimethanesulfonate (ester); 1-Propanol, 3,3'-iminodi-, dimethanesulfonate (ester); DTXSID6043832; CHEBI:135202; Compound 864 (*hydrochloride*); ZINC1674783; NCI60_000072; 3, 3'-Dimesyloxydipropylamine hydrochloride; 3,3'-Imidodi-1-propanol, dimethanesulfonate (ester)-; Q27256199; 1-Propanol, 3,3-iminobis-, dimethanesulfonate (ester) (9CI); 3, 3'-Iminodi-1-propanol di(methanesulfonate) hydrochloride; 3, 3'-Iminodi-1-propanol dimethanesulfonate ester hydrochloride; 3-((3-((Methylsulfonyl)oxy)propyl)amino)propyl methanesulfonate; 3-N-BOC-AMINO-3-(3-CBZ)PIPERIDINE-PROPIONICACIDETHYLESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102627	.	.	.	.	289.4	C8H19NO6S2	116	339	-0.6	17	1	7	10	"InChI=1S/C8H19NO6S2/c1-16(10,11)14-7-3-5-9-6-4-8-15-17(2,12)13/h9H,3-8H2,1-2H3"	CS(=O)(=O)OCCCNCCCOS(=O)(=O)C	DBIGHPPNXATHOF-UHFFFAOYSA-N
DG50325	Pigment orange 5	18981	"Pigment orange 5; 3468-63-1; Permanent Orange; C.I. Pigment Orange 5; Dinitroaniline Orange; Permansa Orange; Permatone Orange; Light Orange R; Hansa Orange RN; Orange Pigment X; Silopol Orange R; Carnelio Red 2G; Dinitroaniline Red; Irgalite Red 2G; Permanent Red GG; Fastona Red 2G; Oralith Red 2GL; Siegle Orange 2S; Silosol Orange RN; Siloton Orange RL; Chromatex Orange R; Graphtol Red 2GL; Irgalite Red 2GW; Irgalite Red PV8; Versal Orange RNL; Dinitraniline Orange; Pigment Fast Orange; Lake Red 2GL; Permanent Orange GG; Permanent Orange HD; Isol Fast Red 2G; Calcotone Orange 2R; Syton Fast Red 2G; D and C Orange No. 17; Helio Fast Orange RN; Helio Fast Orange RT; Signal Orange Y-17; D&C Orange 17; Lutetia Fast Orange R; Tertropigment Red P2G; Monolite Fast Red 2G; Orange No. 203; Helio Fast Orange 3RN; Helio Fast Orange 3RT; Irgalite Fast Red 2GL; Nippon Orange X-881; 11048 Orange; Segnale Light Orange RN; Tertropigment Orange LRN; Monolite Fast Orange 2R; Segnale Light Orange RNG; Dainichi Permanent Red GG; Permanent Orange DN Toner; Brilliant tangerine 13030; C.I. 12075; Dinitroaniline Orange ND-204; Monolite Fast Paper Orange 2R; Permaton Orange XL 45-3015; Permanent Orange Toner RA-5650; 1-[(2,4-Dinitrophenyl)azo]-2-naphthol; UNII-E27LT0986O; 1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol; 1-((2,4-Dinitrophenyl)azo)-2-naphthol; E27LT0986O; 1-(2,4-Dinitrophenylazo)-2-naphthol; 1-((2,4-Dinitrophenyl)azo)-2-naphthalenol; 2-Naphthalenol, 1-((2,4-dinitrophenyl)azo)-; 2-Naphthalenol, 1-[(2,4-dinitrophenyl)azo]-; Signal Orange Orange Y-17; D&C Orange No. 17; D & C Orange No. 17; CCRIS 4902; C.I Pigment Orange 5; 1-[(2,4-DINITROPHENYL)AZO]-2-NAPHTHALENOL; EINECS 222-429-4; NSC 15975; 2-Naphthalenol, 1-(2-(2,4-dinitrophenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(2,4-dinitrophenyl)diazenyl]-; BRN 0964718; AI3-30759; HSDB 7721; Permanent orange 5; 2-NAPHTHOL, 1-((2,4-DINITROPHENYL)AZO)-; CI 12075; D+C Orange No. 17; EC 222-429-4; pigment orange 5, AldrichCPR; SCHEMBL305524; SCHEMBL375610; 1-[(E)-(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol; CHEMBL1982121; DTXSID6029258; SCHEMBL13474931; 2-Naphthol,4-dinitrophenyl)azo]-; NSC15975; MFCD00059524; NSC-15975; ZINC17147410; 2-Naphthalenol,4-dinitrophenyl)azo]-; Pigment Orange 5, analytical standard; ZINC101154953; ZINC113691947; NCI60_001177; C.I.12075; P0587; D91975; 1-[(E)-(2,4-dinitrophenyl)diazenyl]-2-naphthol; 468P631; W-109901; (E)-1-((2,4-dinitrophenyl)diazenyl)naphthalen-2-ol; Q27276766; 1-[2-(2,4-Dinitrophenyl)hydrazono]naphthalene-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15975	.	.	.	.	338.27	C16H10N4O5	137	532	4.3	25	1	7	2	"InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O	HBHZKFOUIUMKHV-UHFFFAOYSA-N
DG50326	5-Nitroso-8-hydroxyquinoline	19103	"5-Nitroso-8-hydroxyquinoline; 5-Nitrosoquinolin-8-ol; 3565-26-2; 5-Nitroso-8-quinolinol; 8-QUINOLINOL, 5-NITROSO-; NSC 3852; Hydron III; 5-Nitroso-8-cinnolinol; 5-Nitrosooxine; 8-Hydroxy-5-nitrosoquinoline; NSC3852; RMH-79; NSC-3852; UNII-P302KW5VDN; P302KW5VDN; MLS000775787; SMR000369353; EINECS 222-650-6; BRN 0135353; 5-Nitroso-oxine; NCIMech_000145; 5-21-11-00262 (Beilstein Handbook Reference); cid_19103; SCHEMBL105461; WLN: T66 BNJ GNO JQ; 5-(hydroxyimino)quinolin-8-one; CHEMBL1479316; DTXSID5063079; BDBM68169; HMS2768N15; HMS3269O05; HMS3414P13; HMS3678P11; (5Z)-5,8-quinolinedione 5-oxime; ALBB-023716; ZINC4272040; 8156AF; CCG-35355; MFCD00041862; STL582177; (5Z)-5-hydroxyimino-quinolin-8-one; 5-(Hydroxyimino)quinolin-8(5H)-one; AKOS001053136; MCULE-4348597510; SB67467; NCGC00161886-01; NCGC00161886-02; NCI60_003678; FT-0750936; N0270; EC-000.2461; D94646"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3852	.	.	.	.	174.16	C9H6N2O2	62.6	198	1.6	13	1	4	0	"InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)N=O	RZWRYPGAUIOOMK-UHFFFAOYSA-N
DG50327	"Disulfide, bis(2-amino-4-sulfamoylphenyl)"	19790	"3905-92-8; NSC83217; Metanilamide, 4,4'-dithiodi-; Metanilamide, 4,4'-dithobis-; DISULFIDE, BIS(2-AMINO-4-SULFAMOYLPHENYL); Bis(2-amino-4-sulfonamidophenyl) disulfide; NSC-83217; 4,4'-Dithiobis(3-aminobenzenesulfonamide); 4,4'-Disulfanediylbis(3-aminobenzenesulfonamide); NSC 83217; BRN 2711131; Metanilamide,4'-dithiodi-; Metanilamide,4'-dithobis-; Metanilamide,4'-dithiobis-; NCIStruc1_001456; NCIStruc2_001601; 4-14-00-02821 (Beilstein Handbook Reference); CHEMBL120806; DTXSID70192300; NCI83217; ZINC3954156; WLN: ZSWOR CZ DSSR BZ DOSZW; CCG-37196; NCGC00013869; Metanilamide, 4,4'-dithiobis- (8CI); NCGC00013869-02; NCGC00096979-01; Benzenesulfonamide,4'-dithiobis[3-amino-; NCI60_041826; Benzenesulfonamide, 4,4'-dithiobis(3-amino- (9CI); 3-amino-4-[(2-amino-4-sulfamoyl-phenyl)disulfanyl]benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83217	.	.	.	.	406.5	C12H14N4O4S4	240	574	-0.2	24	4	10	5	"InChI=1S/C12H14N4O4S4/c13-9-5-7(23(15,17)18)1-3-11(9)21-22-12-4-2-8(6-10(12)14)24(16,19)20/h1-6H,13-14H2,(H2,15,17,18)(H2,16,19,20)"	C1=CC(=C(C=C1S(=O)(=O)N)N)SSC2=C(C=C(C=C2)S(=O)(=O)N)N	CVACEDCBGCMVKB-UHFFFAOYSA-N
DG50328	"2-Amino-1,3,4-thiadiazole"	19909	"2-Amino-1,3,4-thiadiazole; 4005-51-0; 1,3,4-Thiadiazol-2-amine; Aminothiadiazole; ATDA; NSC 4728; FDA 0084; TF 128; [1,3,4]Thiadiazol-2-ylamine; X 26; NSC-4728; UNII-6L41AOK74P; 1,3,4-THIADIAZOLE, 2-AMINO-; NSC4728; 1,3,4-thiadiazol-2-ylamine; 1,3,4-Thiadiazole-2-Amine; 6L41AOK74P; 2-Amino-1-thia-3,4-diazole; CHEMBL1650237; EINECS 223-657-7; BRN 0107135; AI3-50581; 1,4-Thiadiazol-2-amine; 2-Amino-1,4-thiadiazole; NCIMech_000679; amino-[1,3,4]thiadiazole; 1,4-Thiadiazole, 2-amino; SCHEMBL26211; 1,3,4-thiadiazol-5-amine; 2-amino-1,3,4-thiadiazol; 1,4-Thiadiazole, 2-amino-; 1,3,4-thiadiazolium-2-aminide; QUKGLNCXGVWCJX-UHFFFAOYSA-; 3H-1,3,4-thiadiazol-2-imine; AMY3973; DTXSID50193113; [1,3,4]-Thiadiazol-2-ylamine; ACT02913; BDBM50335110; CCG-35854; MFCD00003107; STK398099; ZINC17744119; 2-Amino-1,3,4-thiadiazole, 97%; AKOS000100062; CS-W019584; MCULE-5171141908; NF-0014; AC-25689; BP-10045; NCI60_004114; DB-020362; BB 0217149; FT-0611004; EN300-17228; 05A510; D77857; A824876; J-640145; J-800149; W-106393; Q27265082; F1791-0951; 6-methyl-2-[4-(2,4,6-trioxohexahydropyrimidin-5-yl)azophenyl]-1,3-benzothiazole-7-sulfonic acid;1,3,4-Thiadiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4728	.	.	.	.	101.13	C2H3N3S	80	48.1	-0.6	6	1	4	0	"InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)"	C1=NN=C(S1)N	QUKGLNCXGVWCJX-UHFFFAOYSA-N
DG50329	Nitroxoline	19910	"NITROXOLINE; 5-nitroquinolin-8-ol; 4008-48-4; 8-Hydroxy-5-nitroquinoline; 5-Nitro-8-hydroxyquinoline; 5-Nitro-8-quinolinol; Nitroxolin; 5-Nitrox; Noxibiol; Nibiol; Noxin; 8-Quinolinol, 5-nitro-; 5-Nitroxine; 5-Nitroks; 5-NOK; 5-Nitro-8-oxyquinoline; 5NOK; Nitroxolinum; 5-Nitro-8-oxychinoline; Nitroxolina; Nitroxolinum [INN-Latin]; Nitroxolina [INN-Spanish]; A-82; BAS 58; NSC 74947; MLS000069750; UNII-A8M33244M6; SMR000059036; Galinok; CHEBI:67121; Isinok; Nicene Forte; MFCD00006791; NSC-74947; A8M33244M6; NCGC00160664-01; Uro-Coli; DSSTox_CID_26284; DSSTox_RID_81510; DSSTox_GSID_46284; Notroxoline; CAS-4008-48-4; Nitroxoline [INN:BAN:DCF]; EINECS 223-662-4; BRN 0166146; Nitroxlina; Nitroxoline (TN); HNQ; Nitrohydroxyquinoline; Nitroxoline (INN); 3ai8; 5-Nitroquinoline-8-ol; Opera_ID_204; 5-Nitro-quinolin-8-ol; 5-Nitro-8hydroxyquinoline; Quinolin-8-ol, 5-nitro-; Oprea1_594857; 8-Hydroxy-5-nitro-chinoline; 5-21-03-00297 (Beilstein Handbook Reference); cid_19910; MLS001148594; SCHEMBL151248; REGID_for_CID_19910; 5-Nitroquinolin-8-ol, 96%; WLN: T66 BNJ GNW JQ; CHEMBL1454910; DTXSID4046284; BDBM64987; HMS2230I14; HMS3264C05; HMS3374D08; KUC105356N; Pharmakon1600-01506173; 8-Hydroxy-5-nitroquinoline, 96%; AMY23308; HY-B1159; NSC74947; Tox21_111969; KSC-8-140; NSC760393; s4591; STK099582; ZINC15831592; AKOS001053242; Tox21_111969_1; AC-7828; CCG-213981; CS-4761; DB01422; LS20671; MCULE-8622459990; NSC-760393; PS-5547; NCGC00160664-03; DB-049530; A6696; FT-0621541; H0805; 08N484; D07245; 5-Nitro-8-quinolinol; 5-Nitro-8-hydroxyquinoline; AB00572598_14; AG-205/04556035; Q304570; SR-01000721863; SR-01000721863-4; W-106391; Z56922155"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74947	.	.	.	.	190.16	C9H6N2O3	78.9	229	2.1	14	1	4	0	"InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]	RJIWZDNTCBHXAL-UHFFFAOYSA-N
DG50330	"IODONIUM, (p-NITROPHENYL)PHENYL-, BROMIDE"	19993	"NSC86354; IODONIUM, (p-NITROPHENYL)PHENYL-, BROMIDE; (4-Nitrophenyl)phenyliodonium; SCHEMBL426370; (p-Nitrophenyl)phenyliodonium-; SCHEMBL3872162; (4-nitrophenyl)-phenyl-iodonium; CHEMBL2009430; Iodonium, (p-nitrophenyl)phenyl-; Iodonium, (4-nitrophenyl)phenyl-; NCI60_041908; Iodonium, (4-nitrophenyl)phenyl-, bromide; Hydroxy(4-(phenyl-lambda~3~-iodanyl)phenyl)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86354	.	.	.	.	326.11	C12H9INO2+	45.8	228	4.6	16	0	2	2	InChI=1S/C12H9INO2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H/q+1	C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-]	NLHPINMBHCCFBV-UHFFFAOYSA-N
DG50331	"3',5-Dichlorosalicylanilide"	20196	"5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide; 22203-98-1; 3',5-DICHLOROSALICYLANILIDE; UNII-L9HQV0JFNH; L9HQV0JFNH; CHEMBL2088011; Benzamide, 5-chloro-N-(3-chlorophenyl)-2-hydroxy-; NSC50643; 5-CHLORO-N-(3-CHLOROPHENYL)-2-HYDROXY-BENZAMIDE; SCHEMBL11932152; DTXSID80176752; ZINC1682067; BDBM50540442; MFCD11521629; NSC 50643; NSC-50643; AKOS008973124; MCULE-1903738617; N-(3-Chlorophenyl)-2-hydroxy-5-chlorobenzamide; Q27282873; Z68143799"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50643	.	.	.	.	282.12	C13H9Cl2NO2	49.3	301	4.5	18	2	2	2	"InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)"	C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O	NXDGLRGDIKDWIF-UHFFFAOYSA-N
DG50332	Amitriptylinoxide	20313	"Amitriptylinoxide; Amitriptyline N-oxide; Equilibrin; 4317-14-0; Ambivalon; Amitriptylinoxide [INN]; UNII-TYR2U59WMA; amitriptyline-n-oxide; TYR2U59WMA; 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-N-oxide; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta(sup 5,gamma)-propylamine N-oxide; Amitriptylinoxide (INN); Amitriptyline, N-oxide, hydrochloride; NSC176555; Amitriptilinoxido; Amitriptylinoxyde; Amitriptylinoxidum; amitriptyline oxide; Amitriptylinoxidum [INN-Latin]; Amitriptylinoxyde [INN-French]; Amitriptilinoxido [INN-Spanish]; NSC-176555; BRN 2385442; Amitriptylinoxid; CHEMBL627; NCIStruc1_001927; NCIStruc2_001301; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)cycloheptene-delta5,gamma-propylamine-N-oxide; 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin N-oxid; AMITRYPTYLINE-N-OXIDE; SCHEMBL54518; DTXSID50195758; CHEBI:135224; BDBM112778; ZINC1481969; CCG-37141; NCGC00014514; NCI176555; DB13114; J9.621K; NCGC00014514-02; NCGC00097618-01; 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-N-oxide; N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide; NCI60_001463; US8629135, SW-03; D07449; Q472476; (3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-5-azane; 3-(5,6-dihydrodibenzo[[ ],[ ]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine oxide; (3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl)(hydroxy)dimethyl-.lambda.~5~-azane; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine N-oxide; 3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine N-oxide; 5H-Dibenzo(a,d)cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176555	.	.	.	.	293.4	C20H23NO	18.1	375	4.5	22	0	1	3	"InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3"	C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]	ZPMKQFOGINQDAM-UHFFFAOYSA-N
DG50333	N-Methyliminodiacetic acid	20441	"N-METHYLIMINODIACETIC ACID; 4408-64-4; 2,2'-(methylazanediyl)diacetic acid; Methyliminodiacetic acid; MIDA; Methylimidodiacetic acid; N-Methyliminodiaceticacid; Glycine, N-(carboxymethyl)-N-methyl-; 2-[carboxymethyl(methyl)amino]acetic acid; (Methylimino)diacetic acid; Acetic acid, (methylimino)di-; NSC11773; UNII-SH1YP5H4NA; MFCD00004284; SH1YP5H4NA; [(Carboxymethyl)(methyl)amino]acetic acid; NSC-11773; MIDA ligand; EINECS 224-557-6; N-Methylmnodacetcacd; NSC 11773; 2-methyliminodiacetic acid; NCIStruc1_001758; NCIStruc2_000172; SCHEMBL22061; Methyliminodiacetic acid, 99%; CHEMBL1741474; DTXSID00196033; AMY25152; BCP21664; NCI11773; ZINC1718572; CCG-37638; NCGC00013126; AKOS001187242; Acetic acid, (methylimino)di- (8CI); CS-W007872; MCULE-6535937676; (Carboxymethyl-methyl-amino)-acetic acid; NCGC00013126-02; NCGC00096247-01; AS-11328; NCI60_000423; SY011911; DB-001063; FT-0628893; M2090; Glycine, N-(carboxymethyl)-N-methyl- (9CI); 2-[carboxymethyl(methyl)amino]essigs ure; J-523682; 2,2'-(methylazanediyl)diacetic acid;Methyliminodiacetic acid; QuadraPure(R) IDA, macroporous, 350-750 mum particle size; 2-[carboxylatomethyl(methyl)ammonio]acetate;2,2'-(METHYLAZANEDIYL)DIACETIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11773	.	.	.	.	147.13	C5H9NO4	77.8	129	-3.3	10	2	5	4	"InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)"	CN(CC(=O)O)CC(=O)O	XWSGEVNYFYKXCP-UHFFFAOYSA-N
DG50334	"1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-"	20502	"2,3-Dibenzoyloxirane; 4440-98-6; MLS002608182; NSC 39792; 1,4-Diphenyl-2,3-epoxy-1,4-butanedione; AI3-51314; NSC39792; 1,4-BUTANEDIONE, 1,4-DIPHENYL-2,3-EPOXY-; 1,3-epoxy-1,4-butanedione; WLN: T3OTJ BVR& CVR; CHEMBL1718221; SCHEMBL10942440; DTXSID30963215; 1, 1,4-diphenyl-2,3-epoxy-; HMS3078H14; Methanone,3-oxiranediylbis[phenyl-; NSC-39792; NSC220062; NSC-220062; (Oxirane-2,3-diyl)bis(phenylmethanone); SMR001526933; Methanone, 2,3-oxiranediylbis(phenyl- (9CI); 82389-32-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39792	.	.	.	.	252.26	C16H12O3	46.7	317	2.7	19	0	3	4	"InChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H"	C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3	ADFLDJCSCJHDEY-UHFFFAOYSA-N
DG50335	Nile Blue 2B	20520	"Nile Blue 2B; Nile Blue BB; C.I. 51185; 4451-88-1; Nilblau [German]; NSC 9612; 5-(Benzylamino)-9-(diethylamino)benzo(a)phenazoxonium chloride; BENZO(a)PHENAZOXONIUM, 5-(BENZYLAMINO)-9-(DIETHYLAMINO)-, CHLORIDE; SCHEMBL10844076; DTXSID30963235; NSC9612; NSC-9612; 9-diethylamino-5-(N-benzylamino)benzophenoxazin-7-ium chloride; 5-(Benzylamino)-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride; Benzo(a)phenoxazin-7-ium, 9-(diethylamino)-5-((phenylmethyl)amino)-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9612	.	.	.	.	444	C27H26ClN3O	36.6	767	.	32	1	4	5	"InChI=1S/C27H25N3O.ClH/c1-3-30(4-2)20-14-15-23-25(16-20)31-26-17-24(28-18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)27(26)29-23;/h5-17H,3-4,18H2,1-2H3;1H"	CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCC5=CC=CC=C5)OC2=C1)CC.[Cl-]	FAJDWNKDRFAWLS-UHFFFAOYSA-N
DG50336	2-(1H-Purin-6-ylamino)ethanol	20684	"4551-95-5; 2-(1H-Purin-6-ylamino)ethanol; 2-(7H-purin-6-ylamino)ethanol; 2-(9H-Purin-6-ylamino)ethanol; N6-(2-HYDROXYETHYL)ADENINE; UNII-9AD2B660I3; NSC11590; 9AD2B660I3; 2-((9H-Purin-6-yl)amino)ethanol; NSC-11590; 6-(BETA-HYDROXYETHYLAMINO)-PURINE; 6-[(2-hydroxyethyl)amino]purine; EINECS 224-920-9; NCI60_000361; NCIStruc1_000083; NCIStruc2_000256; N6-(2-Hydroxy)Ethyladenine; Oprea1_506538; 6-(2-hydroxyethylamino)purine; CHEMBL454802; IFLab1_002275; SCHEMBL7668696; 6-.beta.-Hydroxyethylaminopurine; DTXSID10196544; HMS1418H09; NCI11590; ZINC1718417; 2-(9H-Purin-6-ylamino)ethanol #; CCG-37573; NCGC00013122; NSC 11590; STK944590; Ethanol, 2-(1H-purin-6-ylamino)-; AKOS001443458; AKOS008968422; MCULE-6037654535; 2-((3h-Purin-6-yl)amino)ethan-1-ol; NCGC00013122-02; NCGC00096243-01; CS-0266559; SR-01000641593-1; Q27272272"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11590	.	.	.	.	179.18	C7H9N5O	86.7	167	-0.1	13	3	5	3	"InChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)"	C1=NC2=C(N1)C(=NC=N2)NCCO	QFSMBOBIZVSDLV-UHFFFAOYSA-N
DG50337	Trichodermin	20806	"Trichoderonin; Trichodermin; 4682-50-2; UNII-WF22557W91; WG 696; WF22557W91; 12,13-Epoxytrichothec-9-en-4-ol acetate; [(1S,2R,7R,9R,11R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate; ND 8; NSC 73846; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate; NSC 267033; NSC73846; NSC267033; CHEMBL4463552; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4beta)-; DTXSID701017605; Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4.beta.)-; ZINC4214539; 4beta-aceoxy-12,13-epoxytrichothec-9-ene; Q256431; [(2S)-trimethylspiro[[ ]-2,2'-oxirane]yl] acetate; Trichothec-9-en-4beta-ol, 12,13-epoxy-, acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267033	.	.	.	.	292.4	C17H24O4	48.1	541	1.8	21	0	4	2	"InChI=1S/C17H24O4/c1-10-5-6-15(3)12(7-10)21-14-8-13(20-11(2)18)16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)C)C)C	HNEGCRMUYSKRRR-IKIFYQGPSA-N
DG50338	Nifurquinazol	21139	"NIFURQUINAZOL; Nifurquinazole; 5055-20-9; NF 1088; NF-1088; UNII-44E5RRL600; 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)quinazoline; Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)-; 44E5RRL600; NSC220589; NSC-220589; 2,2'-((2-(5-Nitro-2-furyl)-4-quinazolinyl)imino)diethanol; 2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol; Nifurquinazolum; Nifurchinazolo; Nifurchinazolo [DCIT]; Nifurquinazol [USAN:INN]; Nifurquinazolum [INN-Latin]; NSC 22058; NSC 220589; BRN 1092044; 2,2'-[[2-(5-Nitro-2-furyl)-4-quinazolinyl]imino]diethanol; N-(2-(5-Nitro-2-furyl)-4-chinazolinyl)-2,2-iminodiethanol; Nifurquinazol (USAN/INN); SCHEMBL193816; ZINC1810; CHEMBL2107101; DTXSID50198582; Ethanol, 2,2'-((2-(5-nitro-2-furanyl)-4-quinazolinyl)imino)bis-; ZINC00001810; D05164; 1-O-T-BUTYLDIMETHYLSILYL2-AZIDO-2-DEOX&; WLN: T66 BN DNJ EN2Q2Q C- BT5OJ ENW; Q15409366; Ethanol,2'-[[2-(5-nitro-2-furyl)-4-quinazolinyl]imino]di-; Ethanol,2'-[[2-(5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-; 2-[2-hydroxyethyl-[2-(5-nitro-2-furyl)quinazolin-4-yl]amino]ethanol; Ethanol, 2,2'-((2-(5-nitro-2-furyl)-4-quinazolinyl)imino)di- (7CI); Ethanol, 2,2'-[[2- (5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	220589	.	.	.	.	344.32	C16H16N4O5	128	443	1.6	25	2	8	6	"InChI=1S/C16H16N4O5/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2"	C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO	AUEOHSUMWXAPBX-UHFFFAOYSA-N
DG50339	Buthionine sulfoximine	21157	"5072-26-4; BUTHIONINE SULFOXIMINE; Buthionine sulphoximine; DL-Buthionine-[S,R]-sulfoximine; Butionine sulfoximine; 2-Amino-4-(butylsulfonimidoyl)butanoic acid; Buthionine sulfoxamine; DL-Buthionine-(S,R)-sulfoximine; DL-Buthionine-sulfoximine; Buthionine-S,R-sulfoximine; 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid; D,L-Buthionine-(S,R)-sulfoximine; Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-; NSC 381100; 2-azaniumyl-4-(butylsulfonimidoyl)butanoate; CHEBI:28714; DL-butathionine-(S,R)-sulfoximine; MFCD00070309; NSC326231; NSC381100; S-butyl-DL-homocysteine (S,R)-sulfoximine; S-Butyl-DL-homocysteine-[S,R]-sulfoximine; 2-amino-4-(S-butylsulfonimidoyl)butyric acid; NSC 326231; BRN 2367136; Buthione sulfoximine; dl-buthionine (s,r)-sulfoximine; 71765-30-5; BSO; DL-Buthionine-S,R-sulfoximine; l-buthionine (s,r)-sulfoximine; NSC-381100; Sulfoximine, S-(3-amino-3-carboxypropyl)-S-butyl-; Lopac0_000231; SCHEMBL62033; BSPBio_002464; SPECTRUM1505108; dl-Buthionine(S,R)-sulfoximine; CHEMBL1256575; CHEMBL1627290; DTXSID6044434; CHEBI:176510; HMS3260P03; BCP24029; BCP27775; Tox21_500231; s2433; STL328818; AKOS022106364; CCG-204326; DB12870; LP00231; MCULE-8178742509; SDCCGSBI-0050219.P003; NCGC00015148-03; NCGC00015148-04; NCGC00015148-05; NCGC00015148-06; NCGC00015148-07; NCGC00015148-13; NCGC00093696-01; NCGC00093696-02; NCGC00093696-03; NCGC00260916-01; AS-67962; NCI60_002827; HY-106376; CS-0025687; EU-0100231; FT-0624379; FT-0627738; FT-0663956; DL-Buthionine-sulfoximine, >=99.0% (TLC); 2-Amino-4-(butylsulfonimidoyl)butanoic acid #; B 2640; C04543; SR-01000075713; Q5002519; SR-01000075713-1; 2-amino-4-[butyl(imino)oxo-  -sulfanyl]butanoic acid; BRD-A04020513-001-01-9; D,L-Buthionine-(S,R)-sulfoximine (Butionine sulfoximine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326231	.	.	.	.	222.31	C8H18N2O3S	113	284	-0.6	14	3	5	7	"InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)"	CCCCS(=N)(=O)CCC(C(=O)O)N	KJQFBVYMGADDTQ-UHFFFAOYSA-N
DG50340	Thalicarpine	21470	"THALICARPINE; Thaliblastine; Taliblastine; 5373-42-2; NY-IV-34-1; Taliblastin; UNII-8X1D791RF6; CHEBI:9509; NSC68075; TBL; 8X1D791RF6; NSC-68075; NY IV-34-1; NSC 68075; En 125-214; (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxyaporphine; (S)-9-(2-(((S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-1,2,10-trimethoxy-6-methyl-; 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))-; SCHEMBL674828; CHEMBL507100; NY IV34 1; DTXSID90202011; ZINC4098256; BDBM50480321; MCULE-8602017791; NCI60_028786; C09655; Q27108417; (6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline; [2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxy-phenoxy]-trimethoxy-methyl-[ ]; 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))- (9CI); 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-; 4H-Dibenzo[de, 9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, [S-(R*,R*)]-; 4H-Dibenzo[de,g]quinoline, 9-[4,5-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (6aS)-; 6a.alpha.-Aporphine,5-dimethoxy-.alpha.-((S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-; 6a.alpha.-Aporphine,5-dimethoxy-.alpha.-(1.beta.,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-; 6aalpha-Aporphine, 9-((4,5-dimethoxy-alpha-(1beta,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl)oxy)-1,2,10-trimethoxy- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68075	.	.	.	.	696.8	C41H48N2O8	80.3	1120	6.7	51	0	10	11	"InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1"	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC	ZCTJIMXXSXQXRI-KYJUHHDHSA-N
DG50341	"2-Amino-1,4-naphthoquinone imine"	21579	"2-Amino-1,4-naphthoquinone imine; 2-amino-4-iminonaphthalen-1-one; 20513-06-8; 2-amino-4-imino-naphthalen-1-one; NSC15013; 5438-85-7; 1(4H)-NAPHTHALENONE, 2-AMINO-4-IMINO-; 2-Amino-4-imino-1(4H)-naphthalenone; BRN 2830840; 1(4H)-Naphthalenone der.; CHEMBL535032; SCHEMBL3273421; ZINC16968614; 1,4-Naphthoquinone imine, 2-amino-; 2-Amino-4-imino-naphthalene-1(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15013	.	.	.	.	172.18	C10H8N2O	66.9	293	1.9	13	2	3	0	"InChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2"	C1=CC=C2C(=C1)C(=N)C=C(C2=O)N	QDPCYPPJLOKHQK-UHFFFAOYSA-N
DG50342	Nifurmerone	21753	"NIFURMERONE; 5579-95-3; Metofurone; NF-71; Ethanone, 2-chloro-1-(5-nitro-2-furanyl)-; UNII-F57Y390K2N; NF 71; Chloromethyl 5-nitro-2-furyl ketone; Ketone, chloromethyl 5-nitro-2-furyl; F57Y390K2N; NSC-84429; 2-Chloro-1-(5-nitrofuran-2-yl)ethan-1-one; Nifurmerona; Nifurmeronum; Nifurmerone [USAN:INN]; 2-chloro-1-(5-nitrofuran-2-yl)ethanone; (Chlormethyl)(5-nitro-2-furyl)keton; 2-Chloro-1-(5-nitro-2-furyl)ethanone; Nifurmerone (USAN/INN); 2-chloroacetyl-5-nitrofuran; SCHEMBL398798; ZINC1807; CHEMBL2106787; DTXSID90204358; NSC84429; CCG-40502; NSC 84429; AKOS006273133; D05163; Q27277663"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84429	.	.	.	.	189.55	C6H4ClNO4	76	202	1.8	12	0	4	2	"InChI=1S/C6H4ClNO4/c7-3-4(9)5-1-2-6(12-5)8(10)11/h1-2H,3H2"	C1=C(OC(=C1)[N+](=O)[O-])C(=O)CCl	DQJAAEADFORVGZ-UHFFFAOYSA-N
DG50343	p-[[p-(Phenylazo)phenyl]azo]phenol	22623	"Disperse Yellow 23; 6250-23-3; C.I. DISPERSE YELLOW 23; p-[[p-(Phenylazo)phenyl]azo]phenol; Dianix Yellow 5R; Latyl Yellow 4RL; Foron Yellow RGFL; Cibacet Yellow 2RG; Setacyl Yellow 3RN; Terasil Yellow 2RG; Artisil Yellow RGFL; Calcophen Yellow 4RL; Nyloquinone Yellow 3R; Setacyl Yellow P-3RL; Fenacet Fast Yellow 4R; p-Hydroxy-p-bis azobenzene; Celliton Fast Yellow 4RL-CF; SRA Fast Golden Yellow XIII; Acetoquinone Light Yellow 3RLLZ; Esteroquinone Light Yellow 3RLL; Foron Yellow RGFL ultra-dispersed; 4-[(4-phenyldiazenylphenyl)diazenyl]phenol; C.I. 26070; Phenol, p-((p-(phenylazo)phenyl)azo)-; Phenol, 4-((4-(phenylazo)phenyl)azo)-; Phenol, 4-[[4-(phenylazo)phenyl]azo]-; p-((p-(Phenylazo)phenyl)azo)phenol; Phenol, p-[[p-(phenylazo)phenyl]azo]-; 4-[(E)-[4-[(E)-phenyldiazenyl]phenyl]diazenyl]phenol; Phenol, 4-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-; Phenol, 4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-; EINECS 228-370-0; NSC 45565; SCHEMBL1198024; DTXSID1064162; SCHEMBL20580111; SCHEMBL21995787; 4[4'-(phenylazo)phenylazo]phenol; NSC45565; C.I. Disperse Yellow 23 (8CI); NSC-45565; ZINC18060107; AKOS024333105; AKOS025116969; ZINC101482091; ZINC101482092; ZINC101482095; ZINC254751075; MCULE-7190695963; AS-17184; T572; C.I.26070; Disperse Yellow 23 100 microg/mL in Acetonitrile; W-110094; 4-(4-PHENYLAZO-PHENYLAZO)-PHENOL(DISPERSE DYE C.I. 26070)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45565	.	.	.	.	302.3	C18H14N4O	69.7	390	5.5	23	1	5	4	"InChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H"	C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O	RTZYVAQWQXPIAC-UHFFFAOYSA-N
DG50344	"4'-Nitro-[1,1'-biphenyl]-2-amine"	22658	"6272-52-2; 4'-Nitro-biphenyl-2-ylamine; 4'-Nitro-[1,1'-biphenyl]-2-amine; 2-(4-nitrophenyl)aniline; 2-Amino-4'-nitrobiphenyl; 2-BIPHENYLAMINE, 4'-NITRO-; MLS002639355; 4'-Nitro-(1,1'-biphenyl)-2-amine; 4'-Nitro-2-biphenylamine; EINECS 228-462-0; NSC 30863; BRN 2806990; NSC30863; 4'-nitro[1,1'-biphenyl]-2-amine; [1,1'-Biphenyl]-2-amine, 4'-nitro-; 4-nitrophenyl benzenamine; 4-Nitrobiphenyl-2-ylamine; 4-12-00-03236 (Beilstein Handbook Reference); CHEMBL352290; SCHEMBL3010864; DTXSID30211804; 4'-NITROBIPHENYL-2-AMINE; HMS3091E13; [2-(4-nitrophenyl)-phenyl]-amine; AMY23533; ZINC1661396; 5660AH; MFCD01740422; NSC-30863; AKOS024260529; AB09889; SMR001548800; DB-073179; FT-0654064; A833953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30863	.	.	.	.	214.22	C12H10N2O2	71.8	244	2.7	16	1	3	1	"InChI=1S/C12H10N2O2/c13-12-4-2-1-3-11(12)9-5-7-10(8-6-9)14(15)16/h1-8H,13H2"	C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])N	AMBSXARSPPODRO-UHFFFAOYSA-N
DG50345	Lobendazole	22752	"Lobendazole; 6306-71-4; Ethyl 2-benzimidazolecarbamate; ethyl (1H-benzo[d]imidazol-2-yl)carbamate; Ethyl 1H-benzimidazol-2-ylcarbamate; NSC-42044; 2-Carboethoxyaminobenzimidazole; Ethyl 2-benzimidazolylcarbamate; SK&F 24529; N-(2'-Benzimidazolyl)-urethane; UNII-CMF6Z78SWL; Ethyl N-(2-benzimidazolyl)carbamate; SKF 24529; Benzimidazol-2-ylcarbamate ethyl ester; 2-Benzimidazolecarbamic acid, ethyl ester; ethyl N-(1H-benzimidazol-2-yl)carbamate; N-(2-Benzimidazolyl)carbamic acid ethyl ester; CMF6Z78SWL; 2-((Ethoxycarbonyl)amino)benzimidazole; NSC42044; N-(1H-BENZIMIDAZOL-2-YL)CARBAMIC ACID ETHYL ESTER; Ethyl(1H-benzo[d]imidazol-2-yl)carbamate; Lobendazol; Lobendazolum; Lobendazole [USAN:INN]; Lobendazol [INN-Spanish]; Lobendazolum [INN-Latin]; Ethyl benzimidazolecarbamate; 2-[(Ethoxycarbonyl)amino]benzimidazole; Ethyl 1H-benzimidazolylcarbamate; NSC 42044; Benzimidazole carbamate d'ethyle [French]; Benzimidazole carbamate d'ethyle; G 756; delta2,N-Benzimidazolinecarbamic acid, ethyl ester; Carbamic acid, 1H-benzimidazol-2-yl-, ethyl ester; CARBAMIC ACID, (2-BENZIMIDAZOLYL)-, ETHYL ESTER; CBDZ-M; Lobendazole, ethyl ester; ChemDivAM_000121; Lobendazole (USAN/INN); .DELTA.2, ethyl ester; ChemDiv1_000153; (1H-Benzoimidazol-2-yl)-carbamic acid ethyl ester; MLS006011651; SCHEMBL205437; CHEMBL2105088; CHEBI:92287; HMS587G21; ZINC49910; DTXSID70212390; HMS2093J17; Pharmakon1600-01505440; SKF24529; NSC759134; NSC764935; AKOS000538793; CCG-103228; MCULE-1063870923; NSC-759134; NSC-764935; ethyl 1H-benzo[d]imidazol-2-ylcarbamate; NCGC00263896-03; SMR000069102; SBI-0206847.P001; G-756; ethyl N-(1H-1,3-benzodiazol-2-yl)carbamate; D04754; 2-Benzimidazolecarbamic acid, ethyl ester (8CI); AB00275634_02; 306L714; Carbamic acid, 1H-benzimidazol-2-yl-,ethyl ester; SR-05000002015; (R)-Piperidine-1,3-dicarboxylic acid1-benzylester; SR-05000002015-1; BRD-K15834839-001-01-5; Q27164045; F0348-2711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42044	.	.	.	.	205.21	C10H11N3O2	67	235	1.9	15	2	3	3	"InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)"	CCOC(=O)NC1=NC2=CC=CC=C2N1	OKOVSTKGUBOSTB-UHFFFAOYSA-N
DG50346	"ARSINE, DICHLORO(m-NITROPHENYL)-"	22753	"6306-96-3; ARSINE, DICHLORO(m-NITROPHENYL)-; TL 66; m-Nitrophenyl-dichloroarsine; Dichloro(m-nitrophenyl)arsine; dichloro-(3-nitrophenyl)arsane; Dichlor-m-nitrofenylarsin [Czech]; Dichlor-m-nitrofenylarsin; NSC 41658; Arsonous dichloride, (3-nitrophenyl)-; BRN 3266495; SCHEMBL11808214; DTXSID90212392; TL-66; NSC41658; NSC-41658; (3-NITROPHENYL)ARSONOUS DICHLORIDE; Arsonous dichloride, (3-nitrophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41658	.	.	.	.	267.93	C6H4AsCl2NO2	45.8	173	.	12	0	2	0	InChI=1S/C6H4AsCl2NO2/c8-7(9)5-2-1-3-6(4-5)10(11)12/h1-4H	C1=CC(=CC(=C1)[As](Cl)Cl)[N+](=O)[O-]	OVXJYMMNEZNCEF-UHFFFAOYSA-N
DG50347	"1,2,3-Trichloro-4,6-dinitrobenzene"	22875	"2,3,4-trichloro-1,5-dinitrobenzene; Vancide PB; 1,2,3-TRICHLORO-4,6-DINITROBENZENE; 6379-46-0; Benzene, 2,3,4-trichloro-1,5-dinitro-; NSC 68092; 1,5-Dinitro-2,3,4-trichlorobenzene; 4,6-Dinitro-1,2,3-trichlorobenzene; BRN 2508567; Benzene, 1,2,3-trichloro-4,6-dinitro-; Benzene, 4,6-dinitro-1,2,3-trichloro-; NSC68092; TCDNB; 4-05-00-00749 (Beilstein Handbook Reference); SCHEMBL8654568; WLN: WNR BG CG DG ENW; DTXSID1021376; 1,3-Trichloro-4,6-dinitrobenzene; ZINC1694913; 1,2,3-Trichlor-4,6-dinitrobenzol; NSC-68092; STK370822; AKOS005445587; Benzene,2,3-trichloro-4,6-dinitro-; Benzene,3,4-trichloro-1,5-dinitro-; Benzene,6-dinitro-1,2,3-trichloro-; 1,2,3-trichloro-4,6-dinitro-benzene; MCULE-6296246243; Benzene, 2,3,4-trichloro-1,5-dinitro- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68092	.	.	.	.	271.4	C6HCl3N2O4	91.6	253	3.1	15	0	4	0	InChI=1S/C6HCl3N2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-]	WUMOEIUPWHYXBM-UHFFFAOYSA-N
DG50348	NSC47723	22908	"Acid Red 151; Cloth Scarlet; 37678-79-8; Merpacyl Red L; Silk Scarlet GL; Benzyl Red G; Silk Red B; Fast Silk Red TR; Red L; Azo Silk Red 3B; Silk Red 3B; Amacid Neutral Red BW; Calcocid Milling Red 3R; C.I. Acid Red 151, monosodium salt; Benzenesulfonic acid, 4-[[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]azo]-; Tertracid Milling Scarlet GF; C.I. 26900; 4-[[4-[(2-Hydroxy-1-naphthyl)azo]phenyl]azo]benzenesulfonic acid; Benzenesulfonic acid, 4-((4-((2-hydroxy-1-naphthalenyl)azo)phenyl)azo)-; Benzenesulfonic acid, 4-(2-(4-(2-(2-hydroxy-1-naphthalenyl)diazenyl)phenyl)diazenyl)-; Benzenesulfonic acid, 4-[2-[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]-; EINECS 253-621-6; SCHEMBL4412992; CHEMBL1985378; DTXSID8068046; SCHEMBL11336943; NSC47723; ZINC4705995; NSC-47723; ZINC100589766; ZINC100589768; ZINC100589771; 4-((4-((2-Hydroxy-1-naphthyl)azo)phenyl)azo)benzenesulphonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47723	.	.	.	.	432.5	C22H16N4O4S	132	737	4.7	31	2	8	5	"InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O	LEYJJTBJCFGAQN-UHFFFAOYSA-N
DG50349	Bis(2-carboxyphenyl)diselenide	23012	"Bis(2-carboxyphenyl)diselenide; 6512-83-0; Diseleno salicylic acid; BENZOIC ACID, 2,2'-DISELENOBIS-; 2-[(2-carboxyphenyl)diselanyl]benzoic acid; CHEMBL1976884; o,o'-Selenobis(benzoic acid); 2,2'-Selenobis(benzoic acid); Acide diselino salicylique [French]; Acide diselino salicylique; BRN 2625315; 2,2'-diselenodibenzoic acid; 4-10-00-00314 (Beilstein Handbook Reference); SCHEMBL10521544; DTXSID00215435; 2,2'-Dicarboxy-diphenyl-diselenide; BDBM50534788; MFCD00428759; NSC632603; AKOS015969226; NSC-632603; NCI60_010711"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632603	.	.	.	.	400.2	C14H10O4Se2	74.6	327	.	20	2	4	5	"InChI=1S/C14H10O4Se2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)"	C1=CC=C(C(=C1)C(=O)O)[Se][Se]C2=CC=CC=C2C(=O)O	KQOVQKHBCWQFCJ-UHFFFAOYSA-N
DG50350	Helenalin	23205	"HELENALIN; 6754-13-8; PF 56; Helenalin A; HSDB 3490; NSC85236; UNII-4GUY9L896T; NSC 85236; MLS000728512; 4GUY9L896T; CHEBI:5635; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone; SMR000445626; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-Hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione; MLS002701927; BRN 0028081; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; BSPBio_001312; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-Octahydro-4-hydroxy-4abeta,8 alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; 4-18-00-01434 (Beilstein Handbook Reference); Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-; cid_23205; SCHEMBL161593; CHEMBL338474; BDBM43484; DTXSID50217868; HMS1791B14; HMS1989B14; HMS2236C04; ZINC4098120; NSC-85236; Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; NCGC00163416-01; NCGC00163416-02; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-; NCI60_041870; HY-119970; CS-0078850; C09473; Q387505; WLN: T C575 DYVO MV KUTJ A1 BQ DU1 I1; BRD-K26302255-001-02-3; Ambrosa-2, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone (8CI); (3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-9-oxidanyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-quinone; (3aS)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-octahydro-4-hydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione; (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; (3aS,4S,4aR,7aR,8R,9aR)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; 4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))- (9CI); Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85236	.	.	.	.	262.3	C15H18O4	63.6	506	1.4	19	1	4	0	"InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2	ZVLOPMNVFLSSAA-XEPQRQSNSA-N
DG50351	Coralyne chloride	23306	"Coralyne chloride; Coralyne; Coralyne (chloride); (-)-Coralyne chloride hydrate; 6872-73-7; 38989-38-7; NSC96349; 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium;chloride; EINECS 254-239-2; NSC 96349; NSC 154891; Dibenzo[a, 2,3,10,11-tetramethoxy-8-methyl-, chloride; 8-Methyl-2,3,10,11-tetramethoxydibenzo(a,g)quinolizinium chloride; 5,6,7,8,13,13a-Hexadehydro-8-methyl-2,3,10,11-tetramethoxyberbinium chloride; DIBENZO(a,g)QUINOLIZINIUM, 8-METHYL-2,3,10,11-TETRAMETHOXY-, CHLORIDE; SPECTRUM1500861; CHEMBL363506; SCHEMBL3320097; DTXSID50959832; HMS1921K20; 2,3,10,11-Tetramethoxy-8-methyldibenzo(a,g)quinolizinium chloride; 5,6,7,8,13,13a-Hexahydro-8-methyl-2,3,10,11-tetramethoxyberbinium; CCG-38524; NSC-96349; NSC154891; AKOS024348916; MCULE-4271694490; NSC-154891; BERBINIUM, 5,6,7,8,13,13a-HEXADEHYDRO-2,3,10,11-TETRAMETHOXY-8-METHYL-, CHLORIDE; NCGC00094866-01; NCGC00094866-02; HY-118581; CS-0067506; SR-05000002641; SR-05000002641-1; 2,3,10,11-Tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium chloride; Dibenzo(a,g)quinolizinium, 2,3,10,11-tetramethoxy-8-methyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96349	.	.	.	.	399.9	C22H22ClNO4	41	503	.	28	0	5	4	"InChI=1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1"	CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-]	PDYBUYVOPAJLKP-UHFFFAOYSA-M
DG50352	"Colchicine, 10-demethoxy-10-(diethylamino)-"	23398	"10-Demethoxy-10-(diethylamino)colchicine; COLCHICINE, 10-DEMETHOXY-10-(DIETHYLAMINO)-; 6962-03-4; N-[(7S)-10-(diethylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; NSC33690; BRN 3180742; CHEMBL420597; DTXSID50219887; ZINC2944423; NSC-33690; STL542372; AKOS002142032; MCULE-2601577931; Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3-trimethoxy-; N-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-diethylamino-9-oxobenzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33690	.	.	.	.	440.5	C25H32N2O5	77.1	798	2.4	32	1	6	7	"InChI=1S/C25H32N2O5/c1-7-27(8-2)20-12-10-17-18(14-21(20)29)19(26-15(3)28)11-9-16-13-22(30-4)24(31-5)25(32-6)23(16)17/h10,12-14,19H,7-9,11H2,1-6H3,(H,26,28)/t19-/m0/s1"	CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C	VBJDWXFOMWSFLB-IBGZPJMESA-N
DG50353	(1-Methyl-1H-indol-3-YL)methanol	23406	"(1-METHYL-1H-INDOL-3-YL)METHANOL; 6965-44-2; (1-methylindol-3-yl)methanol; 3-INDOLEMETHANOL, 1-METHYL-; UNII-M68WFS5KSK; M68WFS5KSK; (1-methyl-1H-indol-3-yl)-methanol; 3-Hydroxymethyl-1-methylindole; NSC 67601; BRN 0130675; 1H-Indole-3-methanol, 1-methyl-; NCIOpen2_000262; (1-Methyindol-3-yl)methanol; 1-methyl-3-hydroxymethylindole; SCHEMBL1094688; 1-Methyl-1H-indole-3-methanol; DTXSID80219911; NSC67601; ZINC1694509; MFCD00572802; NSC-67601; AKOS000276026; AM806322; AS-39446; F2106-0187"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67601	.	.	.	.	161.2	C10H11NO	25.2	160	1.1	12	1	1	1	"InChI=1S/C10H11NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-6,12H,7H2,1H3"	CN1C=C(C2=CC=CC=C21)CO	LULITKYYLCRIIB-UHFFFAOYSA-N
DG50354	"1-Phenyl-3,3-dimethyltriazene"	23654	"1-Phenyl-3,3-dimethyltriazene; 3,3-DIMETHYL-1-PHENYLTRIAZENE; 7227-91-0; PDMT; 1-Triazene, 3,3-dimethyl-1-phenyl-; N-methyl-N-phenyldiazenylmethanamine; Triazene, 3,3-dimethyl-1-phenyl-; 1-Fenyl-3,3-dimethyltriazin; X 119; NSC 3094; UNII-79R3ZF226Y; (1E)-3,3-dimethyl-1-phenyltriaz-1-ene; 79R3ZF226Y; 1-phenyl-3,3-dimethyl-1-triazene; CCRIS 507; 3,3-Dimethyl-1-phenyl-1-triazene; EINECS 230-627-7; BRN 0907506; AI3-22123; DSSTox_CID_1128; WLN: 1N1&NUNR; DSSTox_RID_75959; DSSTox_GSID_21128; 4-16-00-00903 (Beilstein Handbook Reference); SCHEMBL187587; 3,3-Dimethyl-1-phenyltriazen; SCHEMBL2109239; Triazene,3-dimethyl-1-phenyl-; CHEMBL1981220; CHEMBL3188118; DTXSID5021128; NSC3094; 1-Triazene,3-dimethyl-1-phenyl-; NSC-3094; Tox21_301876; ZINC16891895; AKOS006282831; ZINC104038518; 3,3-Dimethyl-1-phenyl-1-triazene #; MCULE-8821365622; NCGC00255139-01; NCI60_002653; CAS-7227-91-0; 1-Triazene, 3,3-dimethyl-1-phenyl- (9CI); Q27266771"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3094	.	.	.	.	149.19	C8H11N3	28	125	2.6	11	0	3	2	"InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3"	CN(C)N=NC1=CC=CC=C1	LLROQAGEAVDYFP-UHFFFAOYSA-N
DG50355	"ACETIC ACID, IODO-, TRIESTER with GLYCEROL"	23681	"Glycerol-tris(iodoacetate); ACETIC ACID, IODO-, TRIESTER with GLYCEROL; S 52; 7250-46-6; NSC 30033; DTXSID30222814; Acetic acid, triester with glycerol; NSC30033; ZINC4748393; NSC-30033; S-52; Acetic acid, iodo-, 1,2,3-propanetriyl ester (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30033	.	.	.	.	595.89	C9H11I3O6	78.9	276	2.3	18	0	6	11	"InChI=1S/C9H11I3O6/c10-1-7(13)16-4-6(18-9(15)3-12)5-17-8(14)2-11/h6H,1-5H2"	C(C(COC(=O)CI)OC(=O)CI)OC(=O)CI	NSGOBVLOLGZLSI-UHFFFAOYSA-N
DG50356	Molybdenum	23932	"7439-98-7; Mo; Molybdenum; Molybdenum(6+); Molybdenum(6+) ion; MOLYBDENUM ATOM; MOLYBDENUM(VI) ION; Molybdenum, elemental; molybdenum(5+); Molybdenum, ion (Mo(6+)); Molybdenum (VI) ion; UNII-81AH48963U; Mo6+; Molybdenum, ion (Mo5+); Molybdenum wire; Mo(6+); MFCD00003465; 81AH48963U; MChVL; 6MO; Molybdenum, metallic; Metco 63; TsM1; molibdeno; Molybdenum wire, platinum coated, 0.457mm (0.018in) dia; Amperit 106.2; Amperit 105.054; Molybdenum gauze, 10 mesh woven from 0.38mm (0.015mm) dia wire; Molybdenum gauze, 20 mesh woven from 0.305mm (0.012in) dia wire; Molybdenum gauze, 30 mesh woven from 0.204mm (0.008in) dia wire; Molybdenum gauze, 50 mesh woven from 0.0509mm (0.002in) dia wire; Molybdenum powder; Molybdenum gauze, 100 mesh woven from 0.0636mm (0.0025in) dia wire; Molybdenum gauze, 165 mesh woven from 0.0509mm (0.002in) dia wire, twilled weave; 4MO; Molybdenum compounds; Molybdenum metallicum; HSDB 5032; EINECS 231-107-2; Molybdenum rod; Molybdenum, insoluble compounds; Molybdenum sheet; Nitinol Rod; Molybdenum pellet; Molybdenum, crucible, cylindrical, length 1 pcs, outside diameter 47mm; Molybdenum, foil, thickness 0.015 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.020 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.025 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 200 mm, purity 99.9%; Molybdenum, foil, thickness 0.03 mm, size 200 x 500 mm, purity 99.9%; Molybdenum hydride; Molybdenum pellets; Molybdenum(VI); Molybdenum Nanorods; Molybdenum(5 ); molybdenum trihydride; Molybdenum Nanopowder; molybdenum(5+) ion; molybdenum(V) cation; Molybdenum, compounds; Molybdenum ion(6+); molybdenum pentahydride; molybdenum(VI) cation; Molybdenum foil, 3N5; Molybdenum Nanoparticles; Molybdenum, metal and insoluble compounds; Molybdenum and compounds; Molybdenum Nano Dispersion; 42Mo; EC 231-107-2; Ultra Thin Molybdenum Nanofoil; DTXSID1024207; CHEBI:28685; CHEBI:30511; CHEBI:49446; HSDB 7540; Mo(5+); MOLYBDENUM, 99.99%; DTXSID00872441; DTXSID40872440; 8852AF; NSC622116; NSC622124; AKOS015902698; DB11137; Molybdenum rod, 12.7mm (0.5in) dia; Molybdenum rod, 6.4mm (0.25in) dia; Molybdenum, ion (Mo6+) (8CI,9CI); Molybdenum powder, spherical, -170 mesh; Molybdenum foil, 1.0mm (0.04in) thick; Molybdenum foil, 0.1mm (0.004in) thick; Molybdenum foil, 0.5mm (0.02 in) thick; FT-0695133; Molybdenum foil, 0.05mm (0.002in) thick; Molybdenum plate, 2.5mm (0.098in) thick; Molybdenum, >1% in a non hazardous diluent; Q1053; Molybdenum (Mo), 99.5% (metal basis) Nano; Molybdenum foil, 0.025mm (0.001in) thick; Molybdenum foil, 0.127mm (0.005in) thick; Molybdenum plate, 12.5mm (0.492in) thick; Molybdenum plate, 4.76mm (0.188in) thick; C00150; A838110; Lithium Cobalt Oxide (LiCoO2) Sputtering Targets; Molybdenum wire, 0.025mm (0.001in) dia, hard; Molybdenum wire, 0.203mm (0.008in) dia, hard; Molybdenum wire, 0.25mm (0.01in) dia, annealed; Molybdenum wire, 0.5mm (0.02in) dia, annealed; Molybdenum wire, 1.0mm (0.04in) dia, annealed; Molybdenum wire, 1.6mm (0.063in) dia, annealed; Molybdenum wire, 2.0mm (0.08in) dia, annealed; Molybdenum foil, 0.25mm (0.01in) thick, annealed; Molybdenum wire, 1.14mm (0.045in) dia, annealed; Molybdenum, rod, 50mm, diameter 5.0mm, 99.98%; Molybdenum wire, 0.013mm (0.00052in) dia, hard; Molybdenum wire, 0.127mm (0.005in) dia, annealed; Molybdenum wire, 0.375mm (0.015in) dia, annealed; Molybdenum wire, 1.58mm (0.0625in) dia, annealed; Molybdenum, pellets, 100g, max. size 10mm, 99.9%; Molybdenum, pellets, 200g, max. size 10mm, 99.9%; Molybdenum, pellets, 500g, max. size 10mm, 99.9%; Molybdenum, pellets, 50g, max. size 10mm, 99.9%; Molybdenum, rod, 100mm, diameter 5.0mm, 99.98%; Molybdenum, rod, 150mm, diameter 5.0mm, 99.98%; Q27104656; Q27113829; M087500000; Molybdenum wire, gold plated, 0.025mm (0.001in) dia; Molybdenum, foil, 1m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.01mm, 99.9%; Molybdenum boat, Thickness (mm), 0.05, Length (mm), 75; Molybdenum rod, 5mm (0.2in) dia, 99.97% (metals basis); Molybdenum standard for AAS, ready-to-use, in nitric acid; Molybdenum, foil, 0.2m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.2m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.008mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 4mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.01mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 6mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.005mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.006mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.007mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.008mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.009mm, 99.9%; Molybdenum, foil, 8mm disks, thickness 0.0125mm, 99.9%; Molybdenum, nut, size m3, length 10 pcs, style hexagonal; Molybdenum, nut, size m4, length 25 pcs, style hexagonal; Molybdenum, nut, size m4, length 50 pcs, style hexagonal; Molybdenum, nut, size m5, length 25 pcs, style hexagonal; Molybdenum, nut, size m5, length 50 pcs, style hexagonal; Molybdenum, nut, size m6, length 25 pcs, style hexagonal; Molybdenum, nut, size m6, length 50 pcs, style hexagonal; Molybdenum, powder, <150 mum, 99.9% trace metals basis; Molybdenum, powder, <150 mum, 99.99% trace metals basis; Molybdenum, powder, 1-5 mum, >=99.9% trace metals basis; Molybdenum, powder, 10 mum, >=99.95% trace metals basis; Molybdenum, AAS standard solution, Specpure , Mo 1000 g/ml; Molybdenum, foil, 0.2m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.0125mm, 99.9%; Molybdenum, foil, 10mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 15mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 1m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 25mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50mm disks, thickness 0.0125mm, 99.9%; Molybdenum, foil, 50x50mm, thickness 10mm, annealed, 99.9%; Molybdenum, Oil based standard solution, Specpure, Mo 5000g/g; Molybdenum, plasma standard solution, Specpure , Mo 10 g/ml; Molybdenum, wire reel, 10m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 1m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 1m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire reel, 20m, diameter 0.01mm, hard, 99.8+%; Molybdenum, wire reel, 50m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.013mm, hard, 99.8+%; Molybdenum, wire reel, 5m, diameter 0.025mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.03mm, hard, 99.95%; Molybdenum, wire reel, 5m, diameter 0.5mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.7mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 0.8mm, annealed, 99.95%; Molybdenum, wire reel, 5m, diameter 1.0mm, annealed, 99.95%; Molybdenum, wire, diam. 1.0 mm, 99.95% trace metals basis; Molybdenum, wire, straight, 1000mm, diameter 0.5mm, 99.95%; Molybdenum, wire, straight, 1000mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 500mm, diameter 1.0mm, 99.95%; Molybdenum, wire, straight, 600mm, diameter 0.5mm, 99.95%; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005in) dia wire; Molybdenum gauze, 40 mesh woven from 0.13mm (0.005mm) dia wire; Molybdenum slug, 6.35mm (0.25in) dia x 12.7mm (0.50in) length; Molybdenum slug, 6.35mm (0.25in) dia x 6.35mm (0.25in) length; Molybdenum, foil, 0.5m coil, thickness 0.015mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.01mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.020mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.025mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.05mm, annealed, 99.9%; Molybdenum, foil, 0.5m coil, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.15mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.1mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.20mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.25mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.30mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 0.75mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 1.0mm, annealed, 99.98%; Molybdenum, foil, 100x100mm, thickness 1.5mm, annealed, 99.9%; Molybdenum, foil, 100x100mm, thickness 2.0mm, annealed, 99.9%; Molybdenum, foil, 100x100"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622124	.	.	.	.	95.95	Mo	0	0	.	1	0	0	0	InChI=1S/Mo	[Mo]	ZOKXTWBITQBERF-UHFFFAOYSA-N
DG50357	Agn-PC-0jkhes	24040	49722-31-8; AGN-PC-0JKHES; SCHEMBL20639378; DTXSID30274757; NSC107529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107529	.	.	.	.	675.7	C42H33N3O6	191	1030	.	51	7	9	6	"InChI=1S/C23H16O6.C19H17N3/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-12,20H,21-22H2"	C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N	WSMURVZCWHMKQP-UHFFFAOYSA-N
DG50359	Mercuric chloride	24085	"MERCURIC CHLORIDE; Dichloromercury; Mercury(II) chloride; Sublimate; Mercury bichloride; Mercury dichloride; Corrosive sublimate; Mercuric bichloride; Mercury perchloride; 7487-94-7; Sublimat; Chlorure mercurique; Sulema; HgCl2; Corrosive mercury chloride; Perchloride of mercury; Calochlor; Fungchex; Sulem; Bichlorure de mercure; Abavit B; Mercury chloride (HgCl2); Bichloride of mercury; Chlorid rtutnaty; Mercury(2+) chloride; Quecksilber chlorid; Cloruro di mercurio; mercury(II)chloride; dichlorure de mercure; TL 898; ClHgCl; NCI-C60173; NSC 353255; hydrargyrum bichloratum; Quecksilber(II)-chlorid; Mercuric chloride [JAN]; Mercury chloride (HgCl(2)); CHEBI:31823; MFCD00011041; Calocure; Mercuric chloride (JAN); Sublimat [Czech]; Sulema [Russian]; Caswell No. 544; Hydraargyrum bichloratum; Mercuric chloride [ISO]; Chlorid rtutnaty [Czech]; Chlorure mercurique [French]; Quecksilber chlorid [German]; HSDB 33; Bichlorure de mercure [French]; CCRIS 4838; Mercury chloride (2); Chlorure mercurique [ISO-French]; EINECS 231-299-8; UN1624; EPA Pesticide Chemical Code 052001; Mercuric chloride [JAN:ISO]; cloruro de mercurio; mercury (II)chloride; mercury(II)-chloride; Mercuric chloride, solid; Epitope ID:158532; WLN: HG G2; Mercuric chloride [Mercury and mercury compounds]; Mercury(II) chloride, >=98%; Mercury(II) chloride, Puratronic ; NSC353255; Mercury(II) chloride, AR, >=99%; Mercury(II) chloride, LR, >=99%; DB13765; NSC-353255; UN 1624; Mercuric chloride [UN1624]  [Poison]; NCGC00249199-01; NCI60_003160; Mercury(II) chloride, ReagentPlus(R), 99%; D01905; Mercury(II) chloride, ACS reagent, >=99.5%; Q143200; Mercury(II) chloride, 99.999% trace metals basis; Mercury(II) chloride, p.a., ACS reagent, 99.5%; Mercury(II) chloride, JIS special grade, >=99.5%; Mercury(II) chloride, puriss. p.a., ACS reagent, >=99.5% (KT); Mercury(II) chloride, anhydrous, powder, 99.998% trace metals basis; Mercury(II) chloride, anhydrous, beads, -10 mesh, 99.999% trace metals basis; Mercury(II) chloride, puriss. p.a., ACS reagent, reag. ISO, >=99.5% (calc. to the dried substance)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353255	.	.	.	.	271.5	Cl2Hg	0	2.8	.	3	0	0	0	InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2	Cl[Hg]Cl	LWJROJCJINYWOX-UHFFFAOYSA-L
DG50360	Metoprine	24466	"METOPRINE; Methodichlorophen; 7761-45-7; DDMP; Metoprine [USAN]; NSC-19494; 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE; BW-197U; TCMDC-123931; SK 5265; U 197; NSC7364; U-197; UNII-2L9RKX796Q; Metoprine (USAN); 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-methyl pyrimidine; 5-(3,4-Dichlorophenyl)-6-methyl-2,4-pyrimidinediamine; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-methyl-; BW50197; MLS002701892; 2L9RKX796Q; CHEMBL264373; BW 197U; BW 197 U; NSC-7364; NSC19494; BW 50197; 2,4-dichlorophenyl)-6-methylpyrimidine; 2, 5-(3,4-dichlorophenyl)-6-methyl-; WLN: T6N CNJ BZ DZ ER CG DG& F1; BW 50-197; NSC 7364; NSC 19494; Pyrimidine,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-; BRN 0223622; 5-(3,4-Dichlorphenyl)-6-methyl-2,4-pyrimidindiamin; 2,4-Diamino-5-(3,4-dichlorophenyl)-6-methylpyrimidine; AI3-26402; 2aov; Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-; NCIMech_000234; Neuro_000005; SCHEMBL3681; DSSTox_CID_31620; DSSTox_RID_97504; DSSTox_GSID_57831; GTPL7412; ZINC1723; DTXSID0057831; SCHEMBL21068061; 5-(3,4-dichlorophenyl)-6-methyl-pyrimidine-2,4-diamine; METOPRINE; METHODICHLOROPHEN; Tox21_113755; BDBM50059956; CCG-35473; AKOS015994567; DB04655; ES-0012; NCGC00253626-01; C2M; NCI60_041610; SMR001565478; CAS-7761-45-7; DB-087950; HY-129441; CS-0105542; FT-0672389; 197U50; A21316; D00309; Q27085870; 5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine; DDMP5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine; 5-(3,4-Dichloro-phenyl)-6-methyl-pyrimidine-2,4-diamine(Metoprine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7364	.	.	.	.	269.13	C11H10Cl2N4	77.8	266	2.8	17	2	4	1	"InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)"	CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl	VQJHOPSWBGJHQS-UHFFFAOYSA-N
DG50361	7-Chloroquinolin-8-ol	24691	"7-Chloroquinolin-8-ol; 876-86-8; 7-Chloro-8-quinolinol; 7-Chloro-8-hydroxyquinoline; UNII-K9AEQ8892Y; NSC673451; K9AEQ8892Y; 8-Quinolinol, 7-chloro-; EINECS 212-882-6; SCHEMBL114706; CHEMBL141396; RMJFNYXBFISIET-UHFFFAOYSA-; DTXSID90236513; 3933AC; MFCD11870758; ZINC13208912; AKOS016009079; NSC-673451; SB67730; AS-50264; NCI60_026021; BB 0258599; CS-0155828; FT-0664942; O11652; Q27282126; UNII-Z7Z4BX535U component RMJFNYXBFISIET-UHFFFAOYSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673451	.	.	.	.	179.6	C9H6ClNO	33.1	165	2.5	12	1	2	0	"InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H"	C1=CC2=C(C(=C(C=C2)Cl)O)N=C1	RMJFNYXBFISIET-UHFFFAOYSA-N
DG50362	Methylphenol	24693	"Methylphenol; NSC21061; NSC-21061; cresolum; Mixed cresols; MFCD00151099; o(m And p)-Cresol; Cresol (mixed isomers); UNII-GF3CGH8D7Z; GF3CGH8D7Z; 2-methylphenol; 3-methylphenol; 4-methylphenol; Cresol (mixture of isomers); Cresol mixture of isomers, CP; SCHEMBL6243247; CHEMBL1410808; HY-B0969; NCI21061; CCG-36795; NCGC00013272; AKOS037515481; CS-4454; NCGC00013272-02; NCGC00096391-01; NCI60_001764; 2-methylphenol;3-methylphenol;4-methylphenol; FT-0624096; A806346; m-cresol compound with o-cresol and p-cresol (1:1:1); Cresol mixture of isomers, technical, crude, ~85% (sum of isomers, GC)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21061	.	.	.	.	324.4	C21H24O3	60.7	204	.	24	3	3	0	"InChI=1S/3C7H8O/c1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h3*2-5,8H,1H3"	CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC1=CC=CC=C1O	QTWJRLJHJPIABL-UHFFFAOYSA-N
DG50363	"(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"	24707	"(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 17alpha-Ethynylestradiol;Ethynylestradiol; Spectrum_001060; Spectrum2_001004; Spectrum3_000427; Spectrum4_000546; Spectrum5_001043; BSPBio_002014; KBioGR_001211; KBioSS_001540; DivK1c_000520; SCHEMBL799867; SPECTRUM1500291; SPBio_001127; CHEBI:91483; HMS501J22; KBio1_000520; KBio2_001540; KBio2_004108; KBio2_006676; KBio3_001234; NINDS_000520; HMS1920M20; HMS2091D21; HMS3393I19; Pharmakon1600-01500291; CCG-40222; NSC757027; NSC-757027; IDI1_000520; NCGC00178863-01; SBI-0051376.P003; AB00051989_02; SR-05000001625; SR-05000001625-1; BRD-A02367930-001-02-9; BRD-A02367930-001-03-7; Q27163322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757027	.	.	.	.	296.4	C20H24O2	40.5	505	3.7	22	2	2	1	"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16 ,17 ,18 ,19-,20-/m0/s1"	C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O	BFPYWIDHMRZLRN-OQPPHWFISA-N
DG50364	Hydrazine sulfate	24842	"Hydrazine sulfate; 10034-93-2; Hydrazine, sulfate; Hydrazine monosulfate; Hydrazine sulphate; Hydrazinium sulfate; Hydrazine sulfate (1:1); Hydrazine, sulfate (1:1); Hydrazonium sulfate; Siran hydrazinu; Idrazina solfato; Hydrazinium(2+) sulfate; Hydrazine sulfate salt; Hydrazine dihydrogen sulfate salt; HYDRAZINE HYDROGEN SULFATE; NSC-150014; UNII-1N369SAT01; MFCD00044873; 1N369SAT01; NSC150014; Segidrin; Sehydrin; Diamidogen sulfate; Hydrazinium(2+) sulphate; WLN: ZZ &S-O4; Siran hydrazinu [Czech]; Hydrazine sulfate (VAN); Idrazina solfato [Italian]; CCRIS 336; HSDB 5086; hydrazine; sulfuric acid; EINECS 233-110-4; NSC 150014; NSC 215190; Hydrazinsulfat; Idrazina solfato  [Italian]; AI3-18433; Hydrazine sulphate salt; DSSTox_CID_703; Hydrazine dihydrogen sulfate; DSSTox_RID_75745; DSSTox_GSID_20703; H6N2O4S; CHEMBL1981828; DTXSID8020703; AMY8941; Tox21_302995; GP-703; NSC215190; AKOS015901874; NSC-215190; Hydrazinium sulfate, Hydrazonium sulfate; NCGC00256445-01; NCI60_001038; CAS-10034-93-2; DB-029899; FT-0627114; Hydrazine sulfate salt, ACS reagent, >=99.0%; Hydrazinium sulfate, SAJ first grade, >=97.0%; Hydrazinium sulfate, JIS special grade, >=99.0%; Q413847; Hydrazine sulfate salt, p.a., ACS reagent, 99.0%; Hydrazine sulfate salt, 99.999% trace metals basis; Hydrazine sulfate salt, Vetec(TM) reagent grade, 97%; Hydrazine sulfate salt, puriss. p.a., ACS reagent, >=99.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150014	.	.	.	.	130.13	H6N2O4S	135	81.3	.	7	4	6	0	"InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)"	NN.OS(=O)(=O)O	ZGCHATBSUIJLRL-UHFFFAOYSA-N
DG50365	Cadmium chloride	24947	"10108-64-2; cadmium chloride; Dichlorocadmium; Cadmium dichloride; Caddy; Cadmium chloride (CdCl2); VI-Cad; Kadmiumchlorid; CdCl2; Cadmium(II) chloride; Caswell No. 135; CCRIS 114; HSDB 278; NSC51148; NSC 51148; Cadmium Chloride Anhydrous; Cadmium chloride, anhydrous; AI3-09096; MFCD00010916; Cadmium chloride, ultra dry; Kadmiumchlorid [German]; EINECS 233-296-7; EPA Pesticide Chemical Code 012902; cadmium(2+) chloride; [CdCl2]; Cadmium chloride [Cadmium and cadmium compounds]; WLN: CD G2; CHEBI:35456; Cadmium chloride 0.1 M solution; Cadmium chloride, technical grade; CCG-35380; NSC-51148; AKOS015902786; BP-10826; Cadmium chloride, anhydrous, 99% (ACS); NCI60_004237; Cadmium chloride (CdCl2) (7CI,8CI,9CI); FT-0664185; Cadmium chloride, 99.99% trace metals basis; EC 233-296-7; BRD-K26756156-001-01-2; Cadmium chloride, (99.999%-Cd) (O2 < 50ppm) PURATREM; Cadmium chloride, anhydrous, beads, -10 mesh, 99.999% trace metals basis; Cadmium atomic spectroscopy standard concentrate 1.00 g Cd, 1.00 g/L, for 1L standard solution, analytical standard; Cadmium atomic spectroscopy standard concentrate 10.00 g Cd, 10.00 g/L, for 1L standard solution"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51148	.	.	.	.	183.32	CdCl2	0	2.8	.	3	0	0	0	InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2	Cl[Cd]Cl	YKYOUMDCQGMQQO-UHFFFAOYSA-L
DG50366	Ancitabine	25051	"ANCITABINE; Cyclocytidine; 31698-14-3; 2,2'-Anhydrocytidine; Ancytabine; 2,2'-Cyclocytidine; Anhydrocytidine; Anhydroara C; Ancitabinum; Ancitabina; 2,2'-Anhydroarabinosylcytosine; Cyclo-C; 2,2'-O-Cyclocytidine; UNII-DO2D32W0VC; DO2D32W0VC; CHEBI:74838; (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3';4,5)oxazolo(3,2-a)pyrimidine-2-methanol; NCGC00159322-02; DSSTox_CID_357; 2,2'-Anhydro-(beta-D-arabinofuranosyl)cytidine; DSSTox_RID_75535; DSSTox_GSID_20357; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol; Ancitabine [INN]; MLS001173324; Ancitabinum [INN-Latin]; Ancitabina [INN-Spanish]; O(sup 2),2'-Cyclocytidine; CAS-31698-14-3; CCRIS 2757; NSC145668; SMR000538927; (-)-Cyclocytidine hydrochloride; OCTD; 2,2'-anhydro-AraC; NSC129220; O(2,2')-cyclocytidine; 2,2'-Anhydro-L-cytidine; SCHEMBL8708; 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R-(2alpha,3beta,3abeta,9abeta))-; cid_25050; CHEMBL1412614; DTXSID6020357; BDBM58407; HMS2090A16; ACT03227; TNP00125; ZINC4027061; Tox21_111571; Tox21_301815; AKOS025312528; MCULE-9891076158; SMP1_000022; NCGC00017239-01; NCGC00159322-04; NCGC00159322-05; NCGC00159322-06; NCGC00255140-01; 6H-Furo(2',3':4,5)oxazolo(3,2-alpha)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, stereoisomer; 4,5)oxazolo(3,2-a)pyrimidine-2-methanol; AB00430480-02; 2,2'-anhydro-1-(beta-D-arabinofuranosyl)cytosine; 2,2'-Anhydro-1-.beta.-D-arabinofuranosylcytosine; 698A143; W-202309; BRD-K67536197-003-11-4; Q27144950; (2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-6-imino-6H-furo(2',3'; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ol; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[ ]:[ ]]oxazolo[[ ]]pyrimidin-3-ol; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-6-azanylidene-2-(hydroxymethyl)-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol; (2R,3R,3aS,9aR)-6-imino-2-methylol-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol;hydrochloride; (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol; [2R-(2alpha,3beta,3abeta,9abeta)]-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6H-furo[2',3':4,5]pxazolo[3,2-a]pyrimidine-2-methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129220	.	.	.	.	225.2	C9H11N3O4	98.4	394	-2.4	16	3	5	1	"InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1"	C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N	BBDAGFIXKZCXAH-CCXZUQQUSA-N
DG50367	Carbendazim	25429	"Carbendazim; 10605-21-7; Carbendazole; Bavistin; Mecarzole; Carbendazime; Thicoper; Carbendazol; Bavistan; Derosal; Medamine; Funaben; Methyl 2-benzimidazolecarbamate; BMK (fungicide); Carbendazym; Equitdazin; Garbenda; Kemdazin; Supercarb; Agrizim; Battal; Bengard; Bitosen; Custos; Delsene; Karben; Kolfugo; Stempor; Myco; Bavistin 3460; carbendazine; Methyl benzimidazol-2-ylcarbamate; Falicarben; Pillarstin; Fungisol; Triticol; Stein; Spin; Bercema-Bitosen; Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester; Kolfugo Extra; methyl 1H-benzo[d]imidazol-2-ylcarbamate; Preventol BCM; Antibac MF; Carben VL; Funaben 3; BCM (fungicide); METHYL 1H-BENZIMIDAZOL-2-YLCARBAMATE; 2-MBC; IPO Y; Methyl benzimidazolylcarbamate; Benzimidazolecarbamic; Funaben 50; Jkatein; Preparation G 665; 2-(Methoxycarbamoyl)benzimidazole; A 118 (pesticide); 2-(Carbomethoxyamino)benzimidazole; Methyl 1H-benzimidazole-2-carbamate; methyl N-(1H-benzimidazol-2-yl)carbamate; Kolfugo 25 FW; Mercarzole; 2-(Methoxycarbonylamino)-benzimidazole; Methyl benzimidazolecarbamate; BAS 67054F; 1H-Benzimidazole-2-carbamic acid, methyl ester; 2-Benzimidazolecarbamic acid, methyl ester; Carbendazim [BSI:ISO]; BMK (VAN); Methyl N-2-benzimidazolecarbamate; 1H-Benzimidazol-2-ylcarbamic acid methyl ester; BAS-3460; CTR 6669; 2-(Methoxycarbonylamino)benzimidazole; Benzimidazole-2-carbamic acid, methyl ester; EK 578; HOE 17411; G 665; Zhiweiling; Bavistine; CCRIS 1553; Fungoxan; Jkstein; Lignasan; Protek; Sarfun; Subeej; 2-(Methoxy-carbonylamino)-benzimidazol; HSDB 6581; U 32104; Bavistin FL; Spin (pesticide); Karben flo Stefes; Karben Stefes Flo; Olgin (fungicide); BA 67054F; Bavistin 25SD; Bavistin 50SD; Delsene 10; Derosal 60PM; Kolfugo 25FW; UNII-H75J14AA89; 2-[(Methoxycarbonyl)amino]benzimidazole; Methyl 2-benzimidazolylcarbamate; BMK; BAS 3460F; Methyl 1H-benzimidazolylcarbamate; Benzimidazole carbamate de methyle; Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester; Methyl 1H-benzimidazol-2-ylcarbamate (9CI); IPO 1250; BAS-67054; 1H-Benzimidazol-2-ylcarbamic acid, methyl ester; U-32.104; CHEMBL70971; 2-Methyl benzimidazolecarbamate; MLS002701961; CHEBI:3392; 105268-95-9; A 118; 2-(Methoxy-carbonylamino)-benzimidazol [German]; Carbamic acid, 1H-benzimidazolyl-, methyl ester; H75J14AA89; 2-(Methoxycarboxamido)benzimidazole; BAS 3460; methyl N-(2-benzimidazolyl)carbamate; NSC-109874; 2-Bezimidazolecarbamic acid methyl ester; carbendazyme; mekarzole; DSSTox_CID_4729; DSSTox_RID_77513; 1H-Benzimidazol-2-yl-carbamic acid, methyl ester; DSSTox_GSID_24729; 37953-07-4; MBC (VAN); Carbendazime [ISO-French]; IPO-1250; Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester;Methyl 1H-benzo[d]imidazol-2-ylcarbamate; 162976-69-4; CAS-10605-21-7; methyl 2-benzimidazil carbamate; methyl-2-benzimidazole carbamate; methylbenzimidazole-2-ylcarbamate; 2-(Methoxy-carbonylamino)-benzimidazol (GERMAN); benzimidazolecarbamate methyl ester; BAS 3460 F; methoxybenzimidazole-2-carbamic acid; EINECS 234-232-0; methyl-N-(2-benzimidazolyl)carbamate; RCRA waste no. U372; EPA Pesticide Chemical Code 115001; EPA Pesticide Chemical Code 128872; NSC 109874; Derroprene; 2-benzimidazolecarbamic acid methyl ester; Carbate; Benzimidazole carbamate de methyle [French]; Carbendazim-d3; Carbendazol, JMAF; CTR-6669; Tripart defensor FL; N-benzimidazol-2-ylmethoxycarboxamide; Carbendazim, 97%; FB-642; Turfclear (Salt/Mix); BMC ; ChemDivAM_000201; ChemDiv1_000052; 1h-benzimidazole-2-carbamic acid methyl ester; SCHEMBL21051; BIDD:ER0282; Fenbendazole related compound a; Carbendazim, analytical standard; 2-carbomethoxyamino-benzimidazole; DTXSID4024729; methyl benzimidazole-2-carbamate; SCHEMBL19926051; HMS587C08; methyl 2-benzimidazolyl-carbamate; ZINC43475; BAS-67054F; KID PEST PROJECT (CARBENDAZIM) (SEE ALSO CARBENDAZIM); AMY22465; Tox21_202295; Tox21_300478; 2-(carbomethoxy-amino)-benzimidazole; BDBM50116313; EK-578; HOE-17411; Methyl 1H-2-benzimidazolecarbaminate; Methyl N-benzimidazol-2-yl-carbamate; MFCD00055390; NSC109874; AKOS002384358; CCG-101273; CS-8030; DB13009; KS-5360; MCULE-6012353785; 2-(Methoxy-carbonylamino)-benzimidazole; NCGC00090706-01; NCGC00090706-02; NCGC00090706-03; NCGC00090706-04; NCGC00254328-01; NCGC00259844-01; AC-10590; BP-21318; HY-13582; M143; NCI60_000240; SMR000304463; 1H-Benzimidazol-2-ylcarbamicacidmethylester; DB-040676; Methyl 1H-benzimidazol-2-ylcarbamate, 9CI; FT-0602933; FT-0664246; S3676; Carbendazim, PESTANAL(R), analytical standard; E78626; methyl N-(1H-1,3-benzodiazol-2-yl)carbamate; 605C217; A801368; AF-962/00515023; Q418607; SR-01000390861; (1H-Benzoimidazol-2-yl)-carbamic acid methyl ester; J-001536; SR-01000390861-1; Carbendazim, certified reference material, TraceCERT(R); F0266-0908; Fenbendazole impurity A, European Pharmacopoeia (EP) Reference Standard; Fenbendazole Related Compound A, United States Pharmacopeia (USP) Reference Standard; 102040-01-7; 110342-67-1; 212384-28-6; 39413-19-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109874	.	.	.	.	191.19	C9H9N3O2	67	222	1.5	14	2	3	2	"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)"	COC(=O)NC1=NC2=CC=CC=C2N1	TWFZGCMQGLPBSX-UHFFFAOYSA-N
DG50368	Nitidine chloride	25659	"Nitidine chloride; 13063-04-2; Nitidine (chloride); 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride; NSC146397; UNII-XO8WQL69T8; XO8WQL69T8; 13063-04-2 (CHLORIDE); (1,3)-BENZODIOXOLO(5,6-c)PHENANTHRIDINIUM, 2,3-DIMETHOXY-12-METHYL-, CHLORIDE; NSC 146397; 2,3-Dimethoxy-12-methyl-(1,3)-benzodioxolo(5,6-c)phenanthridinium chloride; NSC-146397; Nitidinechloride; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride; 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride; Nitidine, chloride; angolinine; C21H18NO4.Cl; Nitidine-Chloride; Nitidine, chloride (8CI); CHEMBL8443; SCHEMBL420918; DTXSID50926842; HY-N0498; 5588AA; MFCD01659688; AKOS016003480; CCG-268448; AS-73875; DB-050205; CS-0009022; FT-0689357; V1519; A14701; A909300; Q-100120; Q-100770; WLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &G; [1,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride; [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride (1:1); 2,3-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1) .0 , .0(1) ,(1) ]HENICOSA-1(13),2(10),3,8,11,14(19),15,17,20-NONAEN-21-IUM CHLORIDE; 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4\\',5\\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146397	.	.	.	.	383.8	C21H18ClNO4	40.8	516	.	27	0	5	2	"InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]	QLDAACVSUMUMOR-UHFFFAOYSA-M
DG50369	"N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine"	25767	"NSC665671; BRN 2718136; CHEMBL1969267; N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine; N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylimidoformamide; FORMAMIDINE, N,N-DIMETHYL-N'-(4-METHOXY-2-METHYLPHENYL)-; ZINC18120287; ZINC104307468; NSC-665671; NCI60_022658; N'-(4-methoxy-2-methyl-phenyl)-N,N-dimethyl-formamidine; 13181-70-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665671	.	.	.	.	192.26	C11H16N2O	24.8	192	2.2	14	0	2	3	"InChI=1S/C11H16N2O/c1-9-7-10(14-4)5-6-11(9)12-8-13(2)3/h5-8H,1-4H3"	CC1=C(C=CC(=C1)OC)N=CN(C)C	XRZYPUGVMKQLQP-UHFFFAOYSA-N
DG50370	Dimethyl 2-oxoglutarate	25775	"Dimethyl 2-oxoglutarate; 13192-04-6; Dimethyl 2-oxopentanedioate; Dimethyl 2-Ketoglutarate; Dimethyl 2-ketoglutaconate; 2-Ketoglutaric Acid Dimethyl Ester; Pentanedioic acid, 2-oxo-, dimethyl ester; 2-OXOPENTANEDIOIC ACID, DIMETHYL ETHER; MFCD00048052; Dimethyl2-oxoglutarate; dimethyl alpha-ketoglutarate; Dimethyl-alpha-ketoglutarate; 2-Oxoglutaric Acid Dimethyl Ester; 2-Oxo-pentanedioic acid dimethyl ester; Glutaric acid, 2-oxo-, dimethyl ester; SCHEMBL9543; Dimethyl 2-oxopentanedioate #; Dimethyl-.alpha.-ketoglutarate; Dimethyl 2-oxoglutarate, 96%; DTXSID10157251; CHEBI:173796; ACN-S003088; AMY20457; BCP24128; ZINC2019783; dimethyl 2-oxidanylidenepentanedioate; 2-oxopentanedioic acid dimethyl ester; 3992AJ; NSC783840; AKOS015851605; MCULE-4366685032; NSC-783840; SB32822; AS-47656; SY004319; DB-007425; CS-0103277; FT-0612735; K0013; F14954; Pentanedioic acid, 2-oxo-, 1,5-dimethyl ester; 192O046; A806333; J-006086; Q65707091"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	783840	.	.	.	.	174.15	C7H10O5	69.7	196	-0.2	12	0	5	6	"InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3"	COC(=O)CCC(=O)C(=O)OC	TXIXSLPEABAEHP-UHFFFAOYSA-N
DG50371	Tributyllead chloride	25842	"Tributyllead chloride; Tributylchlorolead; Plumbane, chlorotributyl-; Plumbane, tributylchloro-; TRIBUTYL LEAD CHLORIDE; 13302-14-2; NSC168597; Lead, tributyl-, chloride; Tributylplumbium chloride; NSC 168597; Tributylchloroplumbane; NCIMech_000359; DTXSID30157910; WLN: G-PB-4&4&4; CCG-35913; NSC-168597; Plumbane, tributylchloro- (8CI)(9CI); NCI60_001342"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168597	.	.	.	.	414	C12H27ClPb	0	104	.	14	0	0	9	"InChI=1S/3C4H9.ClH.Pb/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1"	CCCC[Pb](CCCC)(CCCC)Cl	OCQHDJVUUKFOFH-UHFFFAOYSA-M
DG50372	"1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-"	25889	"13344-99-5; 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine; UNII-0624073F45; 1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-; CHEMBL92583; NSC159729; 1-(3,4-Dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine; s-Triazine, 4,6-diamino-1-(3,4-dichlorophenyl)-1,2-dihydro-2,2-dimethyl-; 0624073F45; 5-(3,4-Dichlorophenyl)-6,6-dimethyl-5,6-dihydro-1,3,5-triazine-2,4-diamine; NSC3077; D 54; X 69; NSC 3077; NSC 3877; NSC 159729; SCHEMBL8986158; DTXSID00158111; ZINC1666573; BDBM50090069; NSC-159729; DS-008271; Q27236160; 1-(3,4-Dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine; GFE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3077	.	.	.	.	286.16	C11H13Cl2N5	80	393	1.7	18	2	1	1	"InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)"	CC1(N=C(N=C(N1C2=CC(=C(C=C2)Cl)Cl)N)N)C	FPULLBVUFHTKQQ-UHFFFAOYSA-N
DG50373	"ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-"	25926	"WIN 1701; 9-(p-Dimethylaminoanilino)acridine; NSC 13002; ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-; 13365-38-3; 9-((p-(Dimethylamino)phenyl)amino)acridine; Acridine, 9-((p-(dimethylamino)phenyl)amino)-; N'-9-Acridinyl-N,N-dimethyl-1,4-benzenediamine; UNII-T97FI0JKU3; T97FI0JKU3; NSC-13002; Acridine, 9-[[p-(dimethylamino)phenyl]amino]-; BRN 0487364; 1,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl-; CHEMBL34941; N'-(acridin-9-yl)-N,N-dimethylbenzene-1,4-diamine; SCHEMBL3347553; 1-N-acridin-9-yl-4-N,4-N-dimethylbenzene-1,4-diamine; DTXSID00158292; NSC13002; ZINC4151259; 1, N'-9-acridinyl-N,N-dimethyl-; STL088556; AKOS001695772; MCULE-9110094592; WLN: T C666 BNJ IMR DN1&1; Acridine, 9-[p-(dimethylamino)anilino]-; DS-006079; SJ000039582; N'-acridin-9-yl-N,N-dimethylbenzene-1,4-diamine; N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamine; N-Acridin-9-yl-N',N'-dimethyl-benzene-1,4-diamine; Acridine, 9-((p-(dimethylamino)phenyl)amino)- (8CI); 1,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13002	.	.	.	.	313.4	C21H19N3	28.2	380	5.2	24	1	3	3	"InChI=1S/C21H19N3/c1-24(2)16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,1-2H3,(H,22,23)"	CN(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42	WBERNRVMJQYKKR-UHFFFAOYSA-N
DG50374	"1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea"	26328	"PCNU; 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea; NSC-95,466; 13909-02-9; NSC-95466; N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea; Urea, 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-; 1-(2-chloroethyl)-3-(2,6-dioxopiperidin-3-yl)-1-nitrosourea; Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso-; NSC95466; 1-(2-Chloroethyl)3-(2,6-dioxo-3-piperidyl)-1-nitrosourea; NSC 95466; BRN 0431046; AI3-52898; CHEMBL12200; SCHEMBL845062; Urea,6-dioxo-3-piperidyl)-1-nitroso-; Urea,6-dioxo-3-piperidinyl)-N-nitroso-; NCI60_042124; Q27274209; 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea; 1-(2-chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitroso-urea; Urea, N-(2-chloroethyl)-N'-(2, 6-dioxo-3-piperidinyl)-N-nitroso-; 3-(((1-(2-Chloroethyl)-2-oxohydrazino)carbonyl)amino)-2,6-piperidinedione; Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso- (9CI); 3-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)-2,6-piperidinedione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95466	.	.	.	.	262.65	C8H11ClN4O4	108	348	0.4	17	2	5	3	"InChI=1S/C8H11ClN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)"	C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O	KHWIRCOLWPNBJP-UHFFFAOYSA-N
DG50375	"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-"	26341	"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-; 13932-40-6; 2,4-DIAMINO-5-PIPERONYLPYRIMIDINE; UNII-TXE988T82W; CHEMBL56129; 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine; TXE988T82W; 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine; Pyrimidine, 2,4-diamino-5-piperonyl-; 2,4-Diamino-5-(3,4-methylenedioxybenzyl)pyrimidine; NSC129409; SCHEMBL10488901; ZINC10465; DTXSID10161010; BDBM50405974; AKOS016368593; MCULE-4739268684; NSC 129409; NSC-129409; 2, 5-(1,3-benzodioxol-5-ylmethyl)-; NCI60_000663; WR-40070; Q27290475; 5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129409	.	.	.	.	244.25	C12H12N4O2	96.3	291	1.5	18	2	6	2	"InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)"	C1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N	YBIRDHJXPIORJB-UHFFFAOYSA-N
DG50376	Parbendazole	26596	"Parbendazole; 14255-87-9; Helmatac; Methyl (5-butyl-1H-benzo[d]imidazol-2-yl)carbamate; Worm Guard; Verminum; SKF 29044; Helatac; PBDZ; SK&F 29044; UNII-N4X8WVX2UG; Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester; METHYL 5-BUTYL-2-BENZIMIDAZOLECARBAMATE; methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate; Parbendazole free base; 5-Butyl-2-(carbomethoxyamino)benzimidazole; TCMDC-131798; N4X8WVX2UG; 5-Butyl-2-benzimidazolecarbamic acid methyl ester; 14255-87-9 (free base); NSC-256420; NCGC00016706-01; Parbendazol; CAS-14255-87-9; Methyl (5-butyl-1H-benzimidazol-2-yl)carbamate; DSSTox_CID_25410; DSSTox_RID_80861; DSSTox_GSID_45410; Methyl 5-butyl-1H-benzo[d]imidazol-2-ylcarbamate; methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate; Parbendazolum; N-(6-Butyl-1H-benzimidazol-2-yl)carbamic Acid Methyl Ester; Parbendazol [INN-Spanish]; Parbendazolum [INN-Latin]; EINECS 238-133-3; SKF-29044; Parbendazole [USAN:INN:BAN]; 2-Benzimidazolecarbamic acid, 5-butyl-, methyl ester; (4-Butyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester; N-(Butyl-5, benzimidazolyl)-2, carbamate de methyle [French]; Methyl 5(6)-butyl-2-benzimidazolecarbamate; Prestwick0_001110; Prestwick1_001110; Prestwick2_001110; Prestwick3_001110; Parbendazole (USAN/INN); BSPBio_001220; SCHEMBL259455; SPBio_003090; BPBio1_001342; CHEMBL528271; N-(Butyl-5, benzimidazolyl)-2, carbamate de methyle; DTXSID0045410; CHEBI:94267; HMS1571M22; HMS2098M22; HMS3715M22; AMY13606; ZINC5424253; Tox21_110571; MFCD00864534; NSC256420; s2444; WLN: T56 BM DNJ CMVO1 G4; AKOS015898352; AKOS015967508; Tox21_110571_1; 2H-Benzimidazole, carbamic acid deriv.; AC-1936; CCG-221110; NSC 256420; Methyl 5-butylbenzimidazole-2-carbamate; NCGC00016706-02; NCGC00016706-03; NCGC00016706-04; NCGC00016706-05; NCGC00016706-07; AS-68370; 2-carbomethoxyamino-5-n-butylbenzimidazole; HY-115364; AB00514054; CS-0035171; FT-0630413; methyl 5-butyl-1H-benzimidazol-2-ylcarbamate; D05365; F18423; Parbendazole, VETRANAL(TM), analytical standard; 255P879; A885179; methyl N-(5-butyl-1H-benzimidazol-2-yl)carbamate; SR-01000872691; (5-Butyl-2-benzimidazole)carbamic acid methyl ester; Methyl (6-butyl-1H-benzo[d]imidazol-2-yl)carbamate; SR-01000872691-1; 4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylicacid; BRD-K02407574-001-03-0; BRD-K02407574-001-04-8; BRD-K02407574-001-06-3; Q27166068; METHYL N-(5-BUTYL-1H-1,3-BENZODIAZOL-2-YL)CARBAMATE; Parbendazole, United States Pharmacopeia (USP) Reference Standard; CARBAMIC ACID, N-(6-BUTYL-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; H1C"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256420	.	.	.	.	247.29	C13H17N3O2	67	285	3.4	18	2	3	5	"InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)"	CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	YRWLZFXJFBZBEY-UHFFFAOYSA-N
DG50377	Menoctone	26738	"MENOCTONE; 14561-42-3; Win 11,530; Win 11530; UNII-QP1A5BD6K9; 2-(8-Cyclohexyloctyl)-3-hydroxy-1,4-naphthoquinone; NSC 103336; QP1A5BD6K9; 3-(8-cyclohexyloctyl)-4-hydroxynaphthalene-1,2-dione; NSC103336; NSC-103336; 1,4-Naphthalenedione, 2-(8-cyclohexyloctyl)-3-hydroxy-; Menoctonum; Menoctona; Menottone; Menottone [DCIT]; Menoctone [USAN:INN]; Menoctonum [INN-Latin]; Menoctona [INN-Spanish]; Menoctone (USAN/INN); SCHEMBL538450; 2-(8-cyclohexyloctyl)-3-hydroxynaphthalene-1,4-dione; 1,4-Naphthoquinone, 2-(8-cyclohexyloctyl)-3-hydroxy-; CHEMBL1999063; DTXSID60932651; ZINC4216843; WIN-11530; 1, 2-(8-cyclohexyloctyl)-3-hydroxy-; NCI60_000087; WR-49808; D04912; 2-(8-Cyclohexyloctyl)-3-hydroxynaphthoquinone #; 3-[8-Cyclohexyloctyl]-2-hydroxy-1,4-naphthaquinone; Q27287405; 2-(8-cyclohexyloctyl)-3-hydroxy-naphthalene-1,4-dione; 1,4-Naphthoquinone, 2-(8-cyclohexyloctyl)-3-hydroxy- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103336	.	.	.	.	368.5	C24H32O3	54.4	542	7.7	27	1	3	9	"InChI=1S/C24H32O3/c25-22-19-15-10-11-16-20(19)23(26)24(27)21(22)17-9-4-2-1-3-6-12-18-13-7-5-8-14-18/h10-11,15-16,18,25H,1-9,12-14,17H2"	C1CCC(CC1)CCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O	JJMFNXJCDGGBEV-UHFFFAOYSA-N
DG50378	N-Formyldemecolcine	26819	"N-Formyldemecolcine; 14686-61-4; COLCHICINE, N-DEACETYL-N-FORMYL-N-METHYL-; CHEBI:80675; N-Formyldemeocolcine; NSC 315260; BRN 3179104; NSC315260; Formamide, N-methyl-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-,; CHEMBL315193; DTXSID00163528; NSC-315260; N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide; NCI60_002713; N-DEACETYL-N-FORMYL-N-METHYLCOLCHICINE; Q27149717; Formamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	315260	.	.	.	.	399.4	C22H25NO6	74.3	727	1.3	29	0	6	5	"InChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1"	CN(C=O)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	HTWMEJLBEVTMMZ-INIZCTEOSA-N
DG50379	7-Methyljuglone	26905	"7-Methyljuglone; Ramentaceone; 14787-38-3; 5-hydroxy-7-methylnaphthalene-1,4-dione; 7-Methyljuglon; JUGLONE, 7-METHYL-; 5-Hydroxy-7-methyl-1,4-naphthoquinone; NSC208733; CHEBI:8773; CHEMBL430853; NSC624625; 5-hydroxy-7-methyl-naphthalene-1,4-dione; Ramentaceone (6CI); 5-Hydroxy-7-methyl-1,4-naphthalenedione; NSC 208733; NSC 624625; BRN 2047829; 1,4-Naphthalenedione, 5-hydroxy-7-methyl-; 7-Methyl juglon; 1,4-NAPHTHOQUINONE, 5-HYDROXY-7-METHYL-; 5-Hydroxy-7-methyl-2,3-dihydronaphthal-ene-1,4-dione; 1, 5-hydroxy-7-methyl-; 4-08-00-02374 (Beilstein Handbook Reference); 1,4-Naphthalenedione, 5-hydroxy-7-methyl- (9CI); SCHEMBL5904880; DTXSID80163824; ZINC899749; BDBM50107009; AKOS006278204; NSC-208733; NSC-624625; 5-Hydroxy-7-methyl-[1,4]naphthoquinone; 5-Hydroxy-7-methyll-,1,4-naphtoquinone; NCI60_001745; NCI60_007460; DB-063738; FT-0728797; 5-hydroxy-7-methyl-1,4-dihydronaphthalene-1,4-dione; Q27108145; N-(3,4-Diethyloxy)phenylethyl-3,4-diethyloxyphenylacetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208733	.	.	.	.	188.18	C11H8O3	54.4	306	2.3	14	1	3	0	"InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3"	CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O	OZUSCVSONBBWOR-UHFFFAOYSA-N
DG50380	"1-(2,6-Dichlorophenyl)-2-indolinone"	27211	"1-(2,6-Dichlorophenyl)-2-indolinone; 15362-40-0; 1-(2,6-Dichlorophenyl)indolin-2-one; Diclofenac Amide; 1-(2,6-dichlorophenyl)-3H-indol-2-one; 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one; UNII-CL5Y02756K; 1,3-Dihydro-1-(2,6-dichlorophenyl)-2H-indol-2-one; 2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-; CL5Y02756K; N-(2,6-Dichlorophenyl)-2-indolinone; 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2,6-DICHLOROPHENYL)-; F1236-0045; EINECS 239-399-3; ChemDiv3_002423; BRN 1538309; 1-(2,6-Dichlorophenyl)oxindole; Diclofenac artifact; MFCD00451393; N-(2,6-dichlorophenyl)indolin-2-one; 1-(2,6-Dichlorophenyl)-2-oxoindoline; DSSTox_CID_26979; DSSTox_RID_82034; DSSTox_GSID_46979; Diclofenac related compound A; MLS000527383; 1-(2,6-Dichloro-phenyl)-1,3-dihydro-indol-2-one; CHEMBL487716; SCHEMBL2982634; DTXSID6046979; HMS1479O03; HMS2295G12; ZINC170657; BCP24489; Tox21_301756; AC-327; NSC621845; STK709153; AKOS000530778; CCG-272701; MCULE-9085533788; NSC-621845; SB64040; UPCMLD0ENAT5559022:001; NCGC00245217-01; NCGC00256032-01; AS-12117; NCI60_006351; SMR000117857; Diclofenac Lactam (Diclofenac Impurity A); CAS-15362-40-0; DB-043195; AM20060811; CS-0144094; D4260; FT-0627229; 1-[2,6-bis(chloranyl)phenyl]-3H-indol-2-one; 1-(2,6-dichlorophenyl)-2-indolinone, AldrichCPR; 307D865; A809449; SR-01000457522; J-009036; SR-01000457522-1; BRD-K18569286-001-01-2; Q27275517; 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one #; N-(2,6-Dichlorophenyl)-2-indolinone, analytical standard; Aceclofenac impurity I, European Pharmacopoeia (EP) Reference Standard; Diclofenac impurity A, European Pharmacopoeia (EP) Reference Standard; Diclofenac related compound A, United States Pharmacopeia (USP) Reference Standard; N-(2,6-Dichlorophenyl)-2-indolinone, British Pharmacopoeia (BP) Reference Standard; Voltindole (Aceclofenac EP Impurity I, Diclofenac EP Impurity A, Diclofenac Amide)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	621845	.	.	.	.	278.1	C14H9Cl2NO	20.3	326	3.8	18	0	1	1	"InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2"	C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl	JCICIFOYVSPMHG-UHFFFAOYSA-N
DG50381	Dedihydromitomycin B	27590	"Dedihydromitomycin B; Mitomycin B, dedihydro-; 15973-07-6; 7-Methoxy-1,2-(N-methylaziridino)mitosene; NSC123111; NSC-123111; (11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),7,11-trien-8-yl)methyl carbamate; Mitomycin derivative T 53; BRN 0768241; Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8b-tetrahydro-1,5-dimethyl-8-(hydroxymethyl)-6-methoxy-, carbamate; MITOMYCIN DERIV T-53; CHEMBL299564; DTXSID70936165; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-, (1aS-cis)-; NCI60_000545; T 53; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate #; (6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate; 16033-17-3; 8-(Aminocarbonyloxymethyl)-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8b-tetrahydro-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, carbamate (ester); Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8b-tetrahydro-6-methoxy-1,5-dimethyl-, (1aS,8bS)-; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8b-tetrahydro-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123111	.	.	.	.	331.32	C16H17N3O5	104	675	1.2	24	1	6	4	"InChI=1S/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC	FSJQMPDKDHPEJH-UHFFFAOYSA-N
DG50382	Calusterone	28204	"CALUSTERONE; Methosarb; Dimethyltestosterone; 17021-26-0; 7-beta,17-Dimethyltestosterone; Calusterona; Calusteronum; 7beta,17alpha-Dimethyltestosterone; 7beta,17-Dimethyltestosterone; 7-beta,17-alpha-Dimethyl testosterone; NSC-88536; 17-beta-Hydroxy-7-beta,17-alpha-dimethylandrost-4-ene-3-one; U-22,550; UNII-0678G6Q58A; 17beta-Hydroxy-7beta,17-dimethylandrost-4-en-3-one; 17beta-Hydroxy-7beta,17alpha-dimethylandrost-4-ene-3-one; U 22550; Calusteron; 0678G6Q58A; CLS; U-22550; Calusteronum [INN-Latin]; Calusterona [INN-Spanish]; Calusterone [USAN:INN]; HSDB 3210; 7.beta.,17-Dimethyltestosterone; BRN 3212336; Androst-4-en-3-one,17-dimethyl-; 7.beta.,17.alpha.-Dimethyltestosterone; 17-Hydroxy-7,17-dimethylandrost-4-en-3-one; Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl-; Androst-4-en-3-one, 17-beta-hydroxy-7-beta,17-dimethyl-; Androst-4-en-3-one, 7beta,17alpha-dimethyl-17beta-hydroxy-; Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7beta,17beta)-; 7beta-Dimethyltestosterone; Calusterone (USAN/INN); SCHEMBL4509; 17.beta.-Hydroxy-7.beta.,17-dimethylandrost-4-en-3-one; 4-Androsten-7-beta, 17-alpha-dimethyl-17-beta-ol-3-one; 17beta-Dimethyl testosterone; 4-08-00-01029 (Beilstein Handbook Reference); 17.beta.-Hydroxy-7.beta.,17.alpha.-dimethylandrost-4-ene-3-one; CHEMBL455706; 17-beta-hydroxy-7-beta-17-dimethyl androst-4-en-3-one; DTXSID0022723; 7beta,17beta-Dimethyltestosterone; CHEBI:135356; 7-.beta.-17-dimethyltestosterone; Androst-4-en-3-one, 7-beta,17-alpha-dimethyl-17-beta-hydroxy-; NSC88536; ZINC4215173; 7-beta-17-alpha-dimethyltestosterone; DB01564; (7S,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 7.beta.,17.alpha.-Dimethyl testosterone; 7-.beta.-17-.alpha.-dimethyltestosterone; D03338; 17b-Hydroxy-7b,17-dimethylandrost-4-en-3-one; 17b-hydroxy-7b,17-dimethyl-Androst-4-en-3-one; 17-dimethyl-17beta-hydroxy-7beta-Androst-4-en-3-one; 17beta-Hydroxy-7beta-17-dimethylandrost-4-en-3-one; 4-Androsten-7beta,17alpha-dimethyl-17beta-ol-3-one; Q14201166; WLN: L E5 B666 OV MUTJ A1 E1 FQ F1 K1; 7beta,17alpha-Dimethyl-17betahydroxyandrost-4-en-3-one; (7b,17b)-17-hydroxy-7,17-dimethyl-Androst-4-en-3-one; 17beta-Hydroxy-7beta-17alpha-dimethylandrost-4-ene-3-one; Androst-4-en-3-one,17-dimethyl-, (7.beta.,17.beta.)-; Androst-4-en-3-one,17.alpha.-dimethyl-17.beta.-hydroxy-; 17-.beta.-hydroxy-7-.beta.-17-dimethyl androst-4-en-3-one; 17-beta-hydroxy-7-beta-17-dimethyl androst-4-en-3-one (9CI); (7beta,8xi,17beta)-17-hydroxy-7,17-dimethylandrost-4-en-3-one; Androst-4-en-3-one, 17beta-hydroxy-7beta,17-dimethyl- (8CI); Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7-beta,17-beta)- (9CI); (1S,2R,9S,10R,11S,14S,15S)-14-hydroxy-2,9,14,15-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88536	.	.	.	.	316.5	C21H32O2	37.3	578	3.6	23	1	2	0	"InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1"	C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C	IVFYLRMMHVYGJH-PVPPCFLZSA-N
DG50383	N-(4-bromophenyl)-2-iodoacetamide	28665	"N-(4-bromophenyl)-2-iodoacetamide; 17641-04-2; 4'-Bromo-2-iodoacetanilide; ACETANILIDE, 4'-BROMO-2-IODO-; UNII-PHR8V58CAZ; PHR8V58CAZ; NSC 151224; Acetamide, N-(4-bromophenyl)-2-iodo-; BRN 2832521; NSC151224; WLN: I1VMR DE; SCHEMBL5597893; DTXSID10170127; ZINC1761855; ACETANILIDE,4-BROMO-2-IODO-; AKOS014116754; MCULE-2938726611; NSC-151224; Acetamide, N-(4-bromophenyl)-2-iodo- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151224	.	.	.	.	339.96	C8H7BrINO	29.1	157	3	12	1	1	2	"InChI=1S/C8H7BrINO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)"	C1=CC(=CC=C1NC(=O)CI)Br	KZEZEXWEHMUXPI-UHFFFAOYSA-N
DG50384	3-Quinuclidyl diphenylcarbamate	28676	"NSC665783; 17656-14-3; 3-Quinuclidyl diphenylcarbamate; BRN 1493701; CARBAMIC ACID, DIPHENYL-, 3-QUINUCLIDINYL ESTER; SCHEMBL4083767; CHEMBL1988383; DTXSID90938808; NSC-665783; quinuclidin-3-yl N,N-diphenylcarbamate; NCI60_022766; N,N-Diphenylcarbamic acid 3-quinuclidinyl ester; 1-Azabicyclo[2.2.2]oct-3-yl diphenylcarbamate; 1-Azabicyclo[2.2.2]octan-3-yl diphenylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665783	.	.	.	.	322.4	C20H22N2O2	32.8	403	3.9	24	0	3	4	"InChI=1S/C20H22N2O2/c23-20(24-19-15-21-13-11-16(19)12-14-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2"	C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4	IJIHPPHWXPHTRG-UHFFFAOYSA-N
DG50385	Mitoclomine	28694	"Mitoclomine; 17692-54-5; NSC-114575; NSC 114575; WBA 7707; UNII-02DQX562CR; 02DQX562CR; N,N-bis(2-Chloroethyl)-4-methoxy-3-methyl-1-naphthylamine; N,N-bis(2-chloroethyl)-4-methoxy-3-methylnaphthalen-1-amine; 1-Naphthalenamine, N,N-bis(2-chloroethyl)-4-methoxy-3-methyl- (9CI); Mitoclomina; Mitoclominum; Mitoclomine [INN:BAN]; Mitoclominum [INN-Latin]; Mitoclomina [INN-Spanish]; EINECS 241-687-9; BRN 2943587; N,N-Di-(2-chloroethyl)-4-methoxy-3-methyl-1-naphthylamine; 1-NAPHTHYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-METHOXY-3-METHYL-; SCHEMBL2109906; ZINC1737; CHEMBL2106926; DTXSID30170220; NSC114575; Q27231519; 1-Naphthylamine,N-bis(2-chloroethyl)-4-methoxy-3-methyl-; 1-Naphthalenamine,N-bis(2-chloroethyl)-4-methoxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114575	.	.	.	.	312.2	C16H19Cl2NO	12.5	284	4.8	20	0	2	6	"InChI=1S/C16H19Cl2NO/c1-12-11-15(19(9-7-17)10-8-18)13-5-3-4-6-14(13)16(12)20-2/h3-6,11H,7-10H2,1-2H3"	CC1=C(C2=CC=CC=C2C(=C1)N(CCCl)CCCl)OC	CLZXREZAEIUCGG-UHFFFAOYSA-N
DG50386	Etoprine	29142	"ETOPRINE; Ethodichlorophen; 18588-57-3; Etoprine [USAN]; UNII-406PGU9KGI; 2,4-Diamino-5-(3,4-dichlorophenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-ethyl-; 406PGU9KGI; CHEMBL21799; NSC3062; Etoprine (USAN); NSC-3062; DDEP; Ethodichlorophen; NSC 3062; 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine; NSC 3062; BRN 0244129; AI3-25008; Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-; SCHEMBL3919; 5-25-12-00256 (Beilstein Handbook Reference); ZINC1409; BDBM18783; 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-ethylpyrimidine; DTXSID20171807; 2,4-dichlorophenyl)-6-ethylpyrimidine; 2, 5-(3,4-dichlorophenyl)-6-ethyl-; NCI60_002606; D04108; Q27258296; 5-(3,4-Dichlorophenyl)-6-ethyl-2,4-pyrimidinediamine; 5-(3,4-dichlorophenyl)-6-ethyl-pyrimidine-2,4-diamine; Pyrimidine,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3062	.	.	.	.	283.15	C12H12Cl2N4	77.8	279	3.1	18	2	4	2	"InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl	PXLPCZJACKUXGP-UHFFFAOYSA-N
DG50387	Methasquin	29335	"Methasquin; NSC122870; CHEMBL154418; NSC-122870; L-Aspartic acid, N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]-; L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-,; 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122870	.	.	.	.	438.4	C21H22N6O5	194	686	1	32	6	10	8	"InChI=1S/C21H22N6O5/c1-10-12(4-7-14-17(10)18(22)27-21(23)26-14)9-24-13-5-2-11(3-6-13)19(30)25-15(20(31)32)8-16(28)29/h2-7,15,24H,8-9H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)"	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O	NTKNUVXCGJPJQP-UHFFFAOYSA-N
DG50388	NSC650471	30100	"NSC650471; SCHEMBL868548; 3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650471	.	.	.	.	532.6	C29H40O9	132	1060	0.9	38	3	9	2	"InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3"	CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O	OWPWFVVPBYFKBG-UHFFFAOYSA-N
DG50389	Razoxane	30623	"Razoxane; 21416-67-1; Razoxin; 4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione); 4,4'-Propylenebis(piperazine-2,6-dione); ICRF-159; Razoxana; Razoxanum; ICRF 159; 21416-87-5; 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; NSC129943; NSC 129943; NSC-129943; ICI 59118; 4,4'-Propylenebis(2,6-piperazinedione); MLS002920046; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-; Tepirone; Troxozone; CHEBI:50225; 4,4'-propane-1,2-diyldipiperazine-2,6-dione; Razoxanum [INN-Latin]; Razoxana [INN-Spanish]; Desrazoxane; (+)-dexrazoxane; NSC 169780; dyzoxane; Eucardion; CCRIS 344; Cardioxane (TN); NCI-C01627; NCGC00164737-01; Razoxane (INN); EINECS 244-379-2; (+)-Razoxane; Propylenediazmintetraessigsaeure-diimid; (+)-Razoxin; BRN 0821182; Razoxane [INN:BAN]; 2,6-Piperazinedione, 4,4'-propylenedi-; 2,6-Piperazinedione, 4,4'-propylenedi-, (+)-; 1,2-Bis(3,5-dioxo-1-piperazinyl)propane; AI3-52845; DSSTox_CID_733; 2, 4,4'-propylenedi-; SCHEMBL9089; DSSTox_RID_75760; (+-)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; DSSTox_GSID_20733; (+,-)-1,2-Bis(3,5-dioxopiperazine-1-yl)propane; Razoxane, >98% (HPLC); 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; CHEMBL444186; DTXSID0020733; HMS3745O07; BCP17033; (+-)-1,5-dioxopiperazinyl)propane; Tox21_200258; ICI-59118; MFCD00430424; 2, 4,4'-propylenedi-, (+-)-; AKOS015837545; (.+-.)-1,5-dioxopiperazinyl)propane; AC-1422; NCGC00164737-02; NCGC00164737-03; NCGC00164737-04; NCGC00164737-05; NCGC00164737-06; NCGC00164737-07; NCGC00257812-01; 2, 4,4'-propylenedi-, (.+-.)-; AS-67684; NCI60_000672; SMR001797645; 1,2-bis(3,5-dioxopiperazin-1-yl)propane; CAS-21416-67-1; Propane,2-bis(3,5-dioxopiperazin-1-yl)-; (+-)-4.4'-Propylenedi-2,6-piperazindion; 1,2-bis(3,5-dioxopiperazin-1-yl)-propane; AM20090190; FT-0651500; FT-0653845; W4448; (+/-)-4,4'-Propylenedi-2,6-piperazinedione; C74037; D08471; (+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(propane-1,2-diyl)dipiperazine-2,6-dione; J-014040; Q3930720; (+-)-(3,3',5'-Tetraoxo)-1,2-dipiperazinopropane; .+-.-(3,3',5'-Tetraoxo)-1,2-dipiperazinopropane; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+-)-; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (.+-.)-; 4,4`-(PROPANE-1,2-DIYL)BIS(PIPERAZINE-2,6-DIONE); 2,6-PIPERAZINEDIONE,4,4-(1-METHYL-1,2-ETHANEDIYL)BIS-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129943	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)"	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-UHFFFAOYSA-N
DG50390	Ethyl-cysteine	30993	ETHYL-CYSTEINE; NSC49244; 2-amino-3-ethylsulfanylpropanoic acid; NSC-49244; 2-amino-3-(ethylthio)propanoic acid; S-Ethyl-DL-cysteine; SCHEMBL685448; CHEMBL1978461; AKOS000168838; 2-amino-3-ethylsulfanyl-propanoic acid; NCI60_004182; FT-0693921	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49244	.	.	.	.	149.21	C5H11NO2S	88.6	97	-2.3	9	2	4	4	"InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)"	CCSCC(C(=O)O)N	ULXKXLZEOGLCRJ-UHFFFAOYSA-N
DG50391	Bromocriptine mesylate	31100	"BROMOCRIPTINE MESYLATE; 22260-51-1; Parlodel; Bromocriptine mesilate; Pravidel; Bagren; Bromocryptine mesylate; Bromergon; CB-154 mesylate; Bromocriptine methanesulfonate; (+)-Bromocriptine methanesulfonate; UNII-FFP983J3OD; 2-Bromo-alpha-ergocryptine mesylate; CB 154; FFP983J3OD; Bromocriptine (mesylate); CHEBI:3182; 2-Bromoergocryptine Mesylate; Cycloset; oline-9-carboxamide methanesulfonate; Bromocryptine methanesulfonate; (5'a)-2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione mesylate; NSC169774; SR-01000597796; EINECS 244-881-1; C32H40BrN5O5.CH3SO3H; 2-Bromo-alpha-ergocryptine methanesulfonate; SR-01000075356; 2-Bromine-alpha-ergocryptine methanesulfonate; 2-Bromo-alpha-ergokryptine-mesilate [German]; 2-Bromoergocryptine monomethanesulfonate (salt); NSC-755915; Bromocriptine mesylate [USAN:USP]; Parlodel (TN); (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman methanesulfonate (salt); (6aR,9R)-5-Bromo-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quin; 2-Bromo-alpha-ergokryptine-mesilate; Prestwick_771; Cb-154 mesilate; CAS-22260-51-1; DSSTox_CID_197; BROMOCRIPTINEMESYLATE; alpha-Ergocryptine, 2-bromo-, methanesulfonate; DSSTox_RID_75426; DSSTox_GSID_20197; SCHEMBL40559; 2-Bromo-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate; Bromocriptine mesylate (USP); Bromocriptine mesylate- Bio-X; Bromocriptine mesilate (JP17); CHEMBL1200503; DTXSID6020197; CB 154 methanesulfonate (salt); HMS1568I04; HMS3260D03; HMS3411K09; HMS3675K09; HMS3712I04; (+)-2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6'-18-trione methanesulfonate salt; 2-Bromo alpha-Ergocryptine Mesylate; Tox21_303597; Tox21_500171; HY-12705A; .alpha.-Ergocryptine, methanesulfonate; AKOS015896276; CCG-220121; CCG-221475; CS-6048; LP00171; NSC 755915; NSC-169774; NCGC00257268-01; NCGC00260856-01; BB164266; Ergotaman-3',6',18-trione, 2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, monomethanesulfonate (salt), (5'alpha)-; 2-Bromo-a-ergocryptine methanesulfonate salt; B6298; EU-0100171; B 2134; D00780; D81822; 2-Bromo-.alpha.-ergocryptine monomethanesulfonate; A903911; SR-01000075356-1; SR-01000597796-1; SR-01000597796-2; Q27105974; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman methanesulfonate; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169774	.	.	.	.	750.7	C33H44BrN5O8S	181	1320	.	48	4	9	5	"InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1"	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O	NOJMTMIRQRDZMT-GSPXQYRGSA-N
DG50392	Cetalkonium chloride	31202	"122-18-9; Cetalkonium chloride; Benzyldimethylhexadecylammonium chloride; Cetyl zephiran; Banicol; Bonjela; Cetyldimethylbenzylammonium chloride; Bicetonium; Acinol; Cdbac; Benzylhexadecyldimethylammonium chloride; N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride; Baktonium; Benzaletas; Tetraseptan; Cetylon; Dmcbac; Spilan; Zettyn; Cetol; Ammonyx G; Ammonyx T; Dehyquart CBB; Benzylcetyldimethylammonium chloride; Pharycidin Concentrate; Cetalkonium (Chloride); Dimethylbenzylhexadecylammonium chloride; Cetylbenzyldimethylammonium chloride; Dimethylbenzylcetylammonium chloride; N-Benzyl-N-cetyldimethylammonium chloride; Win 357; Hexadecyldimethylbenzylammonium chloride; n-Hexadecyldimethylbenzylammonium chloride; Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride; Hexadecylbenzyldimethylammonium chloride; UNII-85474O1N9D; Ammonium, benzyldimethylhexadecyl-, chloride; MFCD00011625; benzyl-hexadecyl-dimethylazanium;chloride; Benzenemethaminium, N-hexadecyl-N,N-dimethyl, chloride; Benzyl hexadecyl dimethyl ammonium chloride; NSC-32942; BenzylcetyldiMethylaMMoniuM Chloride Hydrate; 85474O1N9D; Benzylhexadecyldimethylammonium (chloride); Winzer solution; Dehyquart CDB; DSSTox_CID_21665; DSSTox_RID_79809; DSSTox_GSID_41665; Cloruro de cetalconio; RODALON; Hexadecyl dimethyl benzyl ammonium chloride; Chlorure de cetalkonium; Zettyn chloride; Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1); Sanisol C; Benzyldimethylcetylammonium chloride; Cetalconio cloruro; Cetalconio cloruro [DCIT]; CAS-122-18-9; Cetalkonii chloridum; Cetalkonii chloridum [INN-Latin]; NCGC00167582-01; EINECS 204-526-3; Cloruro de cetalconio [INN-Spanish]; NSC 32942; Chlorure de cetalkonium [INN-French]; Cetalkonium chloride [USAN:INN:BAN]; Cetyl dimethyl benzyl ammonium chloride; 16-BAC; AI3-03464; Ammonium, benzylhexadecyldimethyl-, chloride; Acquat CDAC; N-Hexadecyl-N,N-dimethylbenzenemethanaminium chloride; Zettyn (TN); Benzyldimethyl-n-hexadecylammonium chloride; DSSTox_RID_82703; Zephirol Related Compound 2; DSSTox_GSID_48122; SCHEMBL59931; CHEMBL1644450; DTXSID3041665; Benzenemethanaminium, N-hexadecyl, N,N-dimethyl-, chloride; Benylcetyldimethylammonium chloride; Cetalkonium chloride (USAN/INN); HY-B1597; NSC32942; Tox21_112574; Tox21_301833; Tox21_302079; AKOS015914910; Tox21_112574_1; SC10040; [4-(2-Butyl)piperazin-1-yl]aceticacid; NCGC00255210-01; NCGC00255704-01; NCGC00344524-01; AS-17528; BP-30079; CAS-63449-41-2; B0237; Benzyl-C8-18-alkyldimethylammonium chlorides; CS-0013522; FT-0625070; V0576; Benzenemethanaminium, N,N-dimethyl-, chloride; D03448; F16465; A804855; N-Benzyl-N,N-dimethyl-1-hexadecanaminium chloride; W-109454; Q18345315; Benzyldimethylhexadecylammonium chloride, cationic detergent; UNII-9U1Q4T4ZYS component SXPWTBGAZSPLHA-UHFFFAOYSA-M; UNII-F5UM2KM3W7 component SXPWTBGAZSPLHA-UHFFFAOYSA-M; Benzyldimethylhexadecylammonium chloride 100 microg/mL in Acetonitrile; Benzyldimethylhexadecylammonium chloride, >=97.0% (dried material, AT); Benzyldimethylhexadecylammonium chloride, Vetec(TM) reagent grade, 97%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32942	.	.	.	.	396.1	C25H46ClN	0	291	.	27	0	1	17	"InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]	SXPWTBGAZSPLHA-UHFFFAOYSA-M
DG50393	Cetylpyridinium chloride	31239	"cetylpyridinium chloride; 123-03-5; Pristacin; 1-hexadecylpyridin-1-ium chloride; hexadecylpyridinium chloride; Cetamium; 1-Hexadecylpyridinium chloride; Biosept; Cepacol; Dobendan; Pyrisept; Ceprim; Ceepryn chloride; Tserigel; Aktivex; Cepacol chloride; Quaternario CPC; Acetoquat CPC; Intexsan CPC; Swabettes Hoechst; Ammonyx CPC; N-Hexadecylpyridinium chloride; Cetyl pyridinium chloride; N-Cetylpyridinium chloride; 1-Cetylpyridinium chloride; Pyridinium, 1-hexadecyl-, chloride; CETYLPYRIDINIUM CHLORIDE ANHYDROUS; hexadecyl pyridinium chloride; 1-Palmitylpyridinium chloride; Cetylpyridinii chloridum; Cloruro de cetilpiridinio; Chlorure de cetylpyridinium; UNII-6BR7T22E2S; Cetylpyridinium (chloride); 6BR7T22E2S; CHEBI:32915; Medilave; Merocet; Pyridinium, 1-hexadecyl-, chloride (1:1); Ceeprin chloride; Cetylpyridini chloridum; Caswell No. 166A; HSDB 38; Cetilpiridinio cloruro [DCIT]; Cetilpiridinio cloruro; NSC-14864; NSC-756673; EINECS 204-593-9; Cetylpyridinii chloridum [INN-Latin]; NSC 14864; EPA Pesticide Chemical Code 069160; C21H38ClN; Cloruro de cetilpiridinio [INN-Spanish]; Chlorure de cetylpyridinium [INN-French]; AI3-15070; Cetylpyridinium chloride [INN]; CETYL PYRIDINIUM CHLORINE; NB 002; Cetyl-pyridinium chloride; SCHEMBL4763; DSSTox_CID_21761; DSSTox_RID_79838; DSSTox_GSID_41761; CHEMBL34833; SPECTRUM1500169; 1-Hexadecyl-Pyridinium Chloride; DTXSID6041761; HMS501B08; HMS1920M13; HMS2091A20; HMS3652F05; Pharmakon1600-01500169; 1-hexadecylpyridine chloride hydrate; ACT02661; HY-B1464; NSC14864; Tox21_301296; 1-Cetylpyridinium chloride 1-hydrate; CCG-39719; MFCD00011731; NSC756673; s4172; AKOS005267197; KS-5309; MCULE-9273804888; WLN: T6KJ A16 & Q & G; NCGC00094618-01; NCGC00094618-02; NCGC00257543-01; AC-32490; CAS-123-03-5; U303; DB-041704; CS-0013168; FT-0602586; H0078; SW222237-1; A16439; F20369; A832584; A890863; Q418318; SR-05000001582; SR-05000001582-1; W-105282"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14864	.	.	.	.	340	C21H38ClN	3.9	208	.	23	0	1	15	"InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]	YMKDRGPMQRFJGP-UHFFFAOYSA-M
DG50394	Triamcinolone	31307	"triamcinolone; 124-94-7; Fluoxyprednisolone; Aristocort; Rodinolone; Triamcinolon; Kenacort; Volon; Adcortyl; Delphicort; Ledercort; Triamcet; Tricortale; Celeste; Triam-Tablinen; Cinolone-T; SK-Triamcinolone; Triamcinlon; Fluoxiprednisolone; Triamcinolonum [INN]; Triamcinalone; Triamcinolona; Triamcinolonum; Tiamcinolonum [INN-Latin]; Triamcinolona [INN-Spanish]; Kenacort-AG; 9alpha-Fluoro-16alpha-hydroxyprednisolone; CL 19823; Mycolog; UNII-1ZK20VI6TY; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Omcilon; 1ZK20VI6TY; Aristocort Tablets; MLS000028542; MLS001066543; CHEBI:9667; (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; 124-94-7 (free); 9.alpha.-Fluoro-16.alpha.-hydroxyprednisolone; NSC13397; 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione,9-fluoro-11,16,17,21-tetrahydroxy-, (11b,16a)-; NSC-13397; Tiamcinolonum; SMR000058333; 9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Prednisolone, 9-fluoro-16.alpha.-hydroxy-; NSC 13397; DSSTox_CID_20742; DSSTox_RID_79584; DSSTox_GSID_40742; 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione; 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione; Kenacort (TN); Triamcinolone (Aristocort); HSDB 3194; 9-alpha-Fluoro-16-alpha-hydroxyprednisolone; EINECS 204-718-7; BRN 2341955; Prednisolone, 9-fluoro-16alpha-hydroxy-; 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-; NCGC00094799-01; CAS-124-94-7; Triamcinolone [USP:INN:BAN:JAN]; Prestwick_438; 9-alpha-Fluoro-11-beta,16-alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 11-beta,16-alpha,17-alpha,21-Tetrahydroxy-9-alpha-fluoro-1,4-pregnadiene-3,20-dione; Triamcinolone, topical; Prestwick0_000120; Prestwick1_000120; Prestwick2_000120; Prestwick3_000120; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-; SCHEMBL4447; CHEMBL1451; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11-beta,16-alpha)-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha); Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-; Lopac0_001179; BSPBio_000140; 4-08-00-03629 (Beilstein Handbook Reference); cid_31307; MLS002695935; SPBio_002079; BPBio1_000154; GTPL2870; DTXSID1040742; BDBM41132; Triamcinolone (JP17/USP/INN); HMS1568G22; HMS2090D12; HMS2095G22; HMS2231E20; HMS3263L19; HMS3712G22; BCP11941; EX-A4109; HY-B0328; ZINC3882036; Tox21_111332; Tox21_300178; Tox21_501179; MFCD00010477; s1933; AKOS015895436; Tox21_111332_1; AC-2072; CCG-205253; DB00620; LP01179; SDCCGSBI-0051146.P002; (11beta,16alpha)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; 11.beta.,16.alpha.,17.alpha., 21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione; BRN-2341955; SMP1_000300; NCGC00021580-03; NCGC00021580-04; NCGC00021580-05; NCGC00021580-06; NCGC00021580-07; NCGC00021580-08; NCGC00021580-16; NCGC00178404-03; NCGC00254049-01; NCGC00261864-01; 51855-44-8; AS-13657; NCI60_000750; EU-0101179; D00385; E70344; J10062; 124T947; SR-01000000079; Q1074056; SR-01000000079-3; BRD-K77554836-001-03-3; BRD-K77554836-001-14-0; Triamcinolone, British Pharmacopoeia (BP) Reference Standard; Triamcinolone, European Pharmacopoeia (EP) Reference Standard; WLN: L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQ; Triamcinolone, United States Pharmacopeia (USP) Reference Standard; 3-[2[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]ETHYL]-PIPERIDINE; 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-; 11.beta.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione; 9.alpha.-Fluoro-11.beta.,17.alpha.,21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-; Pregna-1,4-diene-3, 20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-; Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy- (8CI); (1R,2S,10S,11S,13R,14S,15S,17S)-1-fluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one; 9.alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-dione; Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11beta,16alpha)-, tetrahydro deriv."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13397	.	.	.	.	394.4	C21H27FO6	115	807	1.2	28	4	7	2	"InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O	GFNANZIMVAIWHM-OBYCQNJPSA-N
DG50395	Oxyphenisatine	31315	"Oxyphenisatin; Oxyphenisatine; 125-13-3; Veripaque; 3,3-Bis(p-hydroxyphenyl)oxindole; Phenolisatin; Recolon; Diphenolisatin; Isatinbisphenol; Hoscolax; Neodrast; Normalax; Propellax; Critex; Isolax; Lavema; Dihydroxyphenoloxindol; 4,4'-Dihydroxydiphenylisatin; 3,3-Bis(4-hydroxyphenyl)oxindole; 3,3-Bis(p-hydroxyphenyl)-2-indolinone; 3,3-bis(4-hydroxyphenyl)indolin-2-one; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-; UNII-3BT0VQG2GQ; NSC 59814; 1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-2H-indol-2-one; Oxindole, 3,3-bis(p-hydroxyphenyl)-; 3,3-Bis(4-hydroxyphenyl)-oxindole; 3BT0VQG2GQ; Oxiphenisatinum; 2-INDOLINONE, 3,3-BIS(p-HYDROXYPHENYL)-; NSC-59814; DSSTox_CID_24528; DSSTox_RID_80294; DSSTox_GSID_44528; Oxifenisatina [INN-Spanish]; Oxyphenisatinum [INN-Latin]; Oxyphenisatinum; Oxifenisatina; Nourilax; Oxyphenisatine [INN:BAN]; CAS-125-13-3; EINECS 204-728-1; BRN 0286070; Isaphen (TN); Oxyphenisatine (INN); 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one; NCIOpen2_007896; 5-21-13-00398 (Beilstein Handbook Reference); SCHEMBL239513; CHEMBL245807; SCHEMBL8777299; DTXSID5044528; CHEBI:135358; HY-B2102; NSC59814; ZINC4217234; Tox21_113927; Tox21_301931; MFCD00022794; ZB1280; 3,3-bis-(4-hydroxyphenyl)-oxindole; 2-Indolinone,3-bis(p-hydroxyphenyl)-; AKOS003628613; CS-6312; DB04823; MCULE-1522212653; NCGC00255866-01; NCGC00262932-01; AS-76819; DB-080971; FT-0614032; 3,3-bis-(4-Hydroxyphenyl)-2(3H)-indolone; D08326; SR-01000196726; Q7116108; SR-01000196726-1; 2H-Indol-2-one,3-dihydro-3,3-bis(4-hydroxyphenyl)-; 3,3-Bis(4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one #; 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59814	.	.	.	.	317.3	C20H15NO3	69.6	442	3.2	24	3	3	2	"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)"	C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O	SJDACOMXKWHBOW-UHFFFAOYSA-N
DG50396	Thymolphthalein	31316	"THYMOLPHTHALEIN; 125-20-2; Thymophthalein; MLS000736489; TCMDC-123951; UNII-YG5I28WSQP; NSC2186; EINECS 204-729-7; MFCD00005909; YG5I28WSQP; 3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide; 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one; SMR000528039; 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-; C28H30O4; NSC-2186; Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one; 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-; 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzofuran-1(3H)-one; thymolphthaleine; NSC 2186; Thymol phenolphthalein; Opera_ID_1318; NCIMech_000710; NCIStruc1_001086; NCIStruc2_001003; SCHEMBL62716; cid_31316; 5',5''-Diisopropyl-2',2''-dimethylphenolphthalein; CHEMBL587849; bp13944; DTXSID2051633; BDBM58093; NCI2186; Thymolphthalein, JIS special grade; 2-AMINO-2-ETHYLOCTANOICACID; BCP14127; ZINC3860920; Thymolphthalein, p.a., ACS reagent; BBL002035; CCG-35804; CCG-37314; NCGC00013018; STK027809; 3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]-3-hydroisobenzofuran-1-one; AKOS000492934; MCULE-6633895173; NCGC00013018-02; NCGC00096145-01; AS-20020; NCI60_001823; DB-041790; FT-0631730; T0130; T0237; Z3749; E75957; Thymolphthalein, 0.05% w/v solution in ethanol; Thymolphthalein, ACS reagent, Dye content 95 %; Q421048; Phenolphthalein,5''-diisopropyl-2',2''-dimethyl-; W-108403; Thymolphthalein, ACS reagent, indicator (pH 8.8-10.5); Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl- (8CI); 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1-one; 1(3H)-Isobenzofuranone,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-; 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one; 3,3-Bis(4-Hydroxy-2-methyl-5-Propan-2-yl-Phenyl)Isobenzofuran-1-one; 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2186	.	.	.	.	430.5	C28H30O4	66.8	636	6.8	32	2	4	4	"InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3"	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O	LDKDGDIWEUUXSH-UHFFFAOYSA-N
DG50397	"1,4-Diaminoanthraquinone"	31420	"1,4-Diaminoanthraquinone; 128-95-0; 1,4-diaminoanthracene-9,10-dione; Disperse violet 1; 1,4-Diamino anthraquinone; 9,10-Anthracenedione, 1,4-diamino-; C.I. Disperse Violet 1; Krisolamine; Grasol Violet R; Seacyl Violet R; Acetate Red Violet R; Setacyl Violet R; Oil Violet R; Disperse Violet K; Gracet Violet 2R; Oracet Violet 2R; Resiren Violet TR; Setile Violet 3R; Amacel heliotrope R; Cibacet Violet 2R; Duranol Violet 2R; Nacelan Violet 4R; Dispersive Violet K; Cibacete Violet 2R; Perliton Violet 3R; Solvent Violet 11; Artisil Violet 2RP; Nyloquinone Violet R; Setacyl Violet P-R; Sectacyl Violet propyl; Microsetile Violet 3R; Lurafix Red Violet RN; Celliton Fast Violet R; Celutate Red Violet RH; Fenacet Fast Violet 5R; Celanthrene Red Violet R; Celliton Fast Red Violet; 1,4-Anthraquinonyldiamine; C.I. Disperse Violet 9; Cibacet Violet E2R; Cilla Fast Red Violet RN; Amaplast Red Violet P 2R; Artisil Direct Violet 2RP; Interchem Acetate Violet R; Mideton Fast Red Violet R; Miketon Fast Red Violet R; C.I. Solvent Violet 11; Acetylon Fast Red Violet R; Celliton Fast Red Violet R; Diacelliton Fast Violet 5R; Serisol Brilliant Violet 2R; Celliton Fast Red Violet RN; Supracet Brilliant Violet 3R; 1,4-Diaminoanthrachinon; Interchem Hisperse Violet 2RH; Transetile violet P 3R; C.I. 61100; Acetoquinone Light Heliotrope NL; Celliton Fast Red Violet RNA-CF; Interchem Acetate Red Violet RRLF; Anthraquinone, 1,4-diamino-; UNII-N21HDQ0TKN; 1,4-Diamino-9-10-anthraquinone; 1,4-Diamino-anthraquinone; Duranol Violet 2R, 1,4-diamino-; 1,4-DIAMINO-9,10-ANTHRACENEDIONE; N21HDQ0TKN; CHEMBL86771; NSC7833; 1,4-Diamino-9,10-anthraquinone; 9, 1,4-diamino-; Anthraquinone,4-diamino-; Duranol Violet 2R,4-diamino-; WLN: L C666 BV IVJ DZ GZ; Interchem Disperse Violet 2RH; CCRIS 5603; 1,4-Diaminoanthrachinon [Czech]; EINECS 204-922-6; NSC 63807; Sudan Violet; p,p-Ddd; Cibacet Violet E 2R; 1,4diaminoanthraquinone; Celliton Red Violet RN; 1,4 -diaminoanthraquinone; NCIMech_000274; 1,4 - diaminoanthraquinone; DSSTox_CID_21252; DSSTox_RID_79664; NCIOpen2_002876; DSSTox_GSID_41252; SCHEMBL525762; DTXSID2041252; SCHEMBL13219066; FBMQNRKSAWNXBT-UHFFFAOYSA-; Leuco 1,4 Diamino Anthraquinone; 1,4-Diaminoanthra-9,10-quinone; NSC 7833; NSC-7833; NSC63807; ZINC3902902; Tox21_300683; BBL034621; BDBM50094895; CCG-35461; MFCD00001224; NSC-63807; STK805481; 1,4-Diaminoanthra-9,10-quinone #; AKOS000119645; 9,10-Dihydroxy-1,4-anthracenediimine; MCULE-9284874552; 1,4-bis(azanyl)anthracene-9,10-dione; NCGC00248139-01; NCGC00254591-01; AC-10621; AS-17181; CAS-128-95-0; NCI60_041728; T543; 1,4-Diaminoanthraquinone (leuco compound); 9,10-dihydroxy-1,4-anthraquinone diimine; DB-041913; D0075; D3539; FT-0606834; 28D950; 4-amino-9-hydroxy-1,10-anthraquinone 1-imine; D89589; 1,4-Diaminoanthraquinone, technical grade, 90%; A805883; Q-200081; W-108369; 1,4-Diaminoanthraquinone, technical, >=90% (HPLC); Q27284401"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7833	.	.	.	.	238.24	C14H10N2O2	86.2	346	2.6	18	2	4	0	"InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N	FBMQNRKSAWNXBT-UHFFFAOYSA-N
DG50398	"Stannane, dicyclohexyloxo-"	31510	"Dicyclohexyltin oxide; Stannane, dicyclohexyloxo-; 22771-17-1; UNII-E0P23WVX51; E0P23WVX51; dicyclohexyl(oxo)tin; NSC 99148; SCHEMBL15107; Tin, dicyclohexyloxo- (7CI); DTXSID2073437; NSC99148; NSC-99148"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99148	.	.	.	.	301.01	C12H22OSn	17.1	171	.	14	0	1	2	"InChI=1S/2C6H11.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1H,2-6H2;;"	C1CCC(CC1)[Sn](=O)C2CCCCC2	QULMZVWEGVTWJY-UHFFFAOYSA-N
DG50399	Dianhydrodulcitol	31789	"Dianhydrodulcitol; Dulcitol diepoxide; 1,2:5,6-Diepoxydulcitol; Dianhydromannitol; 23261-20-3; Galactitol, 1,2:5,6-dianhydro-; NSC 132313; 5,6-Diepoxydulcitol; 1,2-bis(oxiran-2-yl)ethane-1,2-diol; 1,2:5,6-Dianhydrodulcitol; Dianhydrodulcitol;Dianhydrogalactitol; 1,2-5,6-Dianhydro-dulcitol; NSC132313; 19895-66-0; 1,6-Diepoxydulcitol; 1,6-Dianhydrodulcitol; 1,6-Dianhydromannitol; 1,6-Dianhydrogalactitol; 1,6-Diepoxy-D-mannitol; 1,6-Dianhydro-D-mannitol; 1,2:5,6-Dianhydrohexitol; 1,6-Di-Anhydro-D-mannitol; Galactitol,2:5,6-dianhydro-; SCHEMBL8375579; D-Mannitol,2:5,6-dianhydro-; CHEMBL1987719; DTXSID60941768; Mannitol,2:5,6-dianhydro-, D-; NSC133129; AKOS025396866; NCI60_000711; FT-0667810; 261D203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132313	.	.	.	.	146.14	C6H10O4	65.5	122	-1.3	10	2	4	3	"InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2"	C1C(O1)C(C(C2CO2)O)O	AAFJXZWCNVJTMK-UHFFFAOYSA-N
DG50400	"2-Chloro-N-(2,4,5-trichlorophenyl)acetamide"	32018	"2-Chloro-N-(2,4,5-trichlorophenyl)acetamide; 23595-42-8; 2,2',4',5'-Tetrachloroacetanilide; ACETANILIDE, 2,2',4',5'-TETRACHLORO-; Acetamide, 2-chloro-N-(2,4,5-trichlorophenyl)-; UNII-3E5H9S6FG5; 3E5H9S6FG5; 2-Chloro-N-(2,4,5-trichloro-phenyl)-acetamide; NSC 165604; BRN 2214980; 2',4',5'-Trichloro-2-chloroacetanilide; NSC165604; Acetamide,2-chloro-N-(2,4,5-trichlorophenyl)-; WLN: G1VMR BG DG EG; SCHEMBL7291409; CHEMBL2007384; 2,4',5'-Tetrachloroacetanilide; Acetamide,4,5-trichlorophenyl)-; DTXSID70178245; ALBB-002315; ZINC1648953; 7984AD; BBL013335; MFCD00018889; STK118511; Acetanilide,2',4',5'-tetrachloro-; AKOS000268713; MCULE-1479726346; NSC-165604; NCI60_001272; VS-03760; BB 0217398; CS-0307526; 2-Chloro-N-(2,4,5-trichlorophenyl)acetamide #; Acetamide, 2-chloro-N-(2,4,5-trichlorophenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165604	.	.	.	.	272.9	C8H5Cl4NO	29.1	214	3.6	14	1	1	2	"InChI=1S/C8H5Cl4NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)"	C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl	GQRWKOPRUXSOBA-UHFFFAOYSA-N
DG50401	Dmask	32465	"Dmask; Arnebin 1; (Rac)-Arnebin 1; 24502-79-2; Isoarnebin I; NSC140377; [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; 5162-01-6; (beta,beta-Dimethylacryl)shikonin; Arnebin; Arnebin I; 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)-; Alkanin b,b-dimethylacrylate; Alkanin,.beta.-dimethylacrylate; SCHEMBL4279672; CHEMBL2002642; DTXSID10947396; BCP15526; BCP31231; HY-N5112; .beta.,.beta.-Dimethylacrylshikonin; AKOS037515608; NSC-140377; (c)micro,(c)micro-Dimethylacrylalkannin; Shikonin .beta.,.beta.-dimethylacrylate; NCI60_000890; DS-013077; CS-0032426; D2118; FT-0774263; A874947; Dimethylacrylshikonin;(Beta,beta-dimethylacryl)shikonin; 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate #; 1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbut-2-enoate; 2-Butenoic acid, 1-(5,8-dihydro- 1,4-dihydroxy-5,8-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester; 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester; 2-Butenoic acid,3-methyl-,1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthalenyl)-4-methyl-3-pentenylester, (s)-(9ci); 23444-70-4; 5,8-Dihydroxy-2-[1-(beta,beta-dimethylacryloyloxy)-4-methyl-3-pentenyl]-1,4-naphthalenedione; Crotonic acid, 3-methyl-, ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140377	.	.	.	.	370.4	C21H22O6	101	706	5	27	2	6	6	"InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3"	CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C	BATBOVZTQBLKIL-UHFFFAOYSA-N
DG50402	Adriblastin	32874	"Doxorubicin HCl; Epirubicin hydrochloride; ADM hydrochloride; Adriblastin; Hydroxydaunorubicin hydrochloride; Epirubicin HCl; 25316-40-9; FI 6804; 4'-epi-Adriamycin hydrochloride; 56390-09-1; MLS002702107; DOX HCl; NSC123127; EpirubicinHCL; Ellence (Pharmacia); NSC256942; Pidorubicin hydrochloride; NSC-123127; NSC-256942; Adriamycin PFS (Pharmacia); SCHEMBL317302; CHEMBL543353; (8S,10S)-10-[(3-Amino-2,3,6-trideoxy- -L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride; CCG-208148; CCG-208196; D4193; ADR; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; L-lyxo-Hexopyranoside,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naphthacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123127	.	.	.	.	580	C27H30ClNO11	206	977	.	40	7	12	5	"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10 ,13 ,15-,17 ,22 ,27-;/m0./s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBJBKNOSA-N
DG50403	NSC307241	32875	"MLS002702107; NSC307241; NSC-307241; NCGC00163543-01; CHEMBL6608; SCHEMBL95415; SCHEMBL23365786; CHEBI:124964; HSCI1_000272; Adriamycin deriv., mixt. with hydroxyethyl starch (cross-linked); NCGC00163543-02; NCI60_000547; SMR001565675; AB01013751-05; BRD-A56518012-003-01-1; BRD-A56518012-003-02-9; Q27215293; (7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; (8s,10s)-10-(4-amino-5-hydroxy-6-methyl-tetrahydro-2h-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307241	.	.	.	.	543.5	C27H29NO11	206	977	1.3	39	6	12	5	"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10 ,13 ,15-,17 ,22 ,27-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O	AOJJSUZBOXZQNB-SNFLSGHGSA-N
DG50404	Alovudine	33039	"Alovudine; 25526-93-6; 3'-DEOXY-3'-FLUOROTHYMIDINE; 3'-Fluoro-3'-deoxythymidine; FddT; Thymidine, 3'-deoxy-3'-fluoro-; FddThD; 3'F-TdR; UNII-PG53R0DWDQ; 1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione; 3'-Fluorothymidine; CL 184824; PG53R0DWDQ; 3'-Fluorodeoxythymidine; CHEMBL105318; FLT; MIV-310; NSC-140025; CL-184824; CL 184,824; DSSTox_CID_26579; DSSTox_RID_81738; DSSTox_GSID_46579; 3'-FddT; Alovudine [USAN:INN]; 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; CAS-25526-93-6; 3'-FLT; DRG-0097; NSC 140025; BRN 0754299; FLT authentic; NSC140025; C10H13FN2O4; NCGC00166256-01; 3'-Deoxy-3'-18F fluorothymidine; 1-(3'-Deoxy-3'-fluoro-beta-D-pentofuranosyl)thymine; Alovudine (USAN/INN); 3-Deoxy-3-fluorothymidine; SCHEMBL133722; DTXSID4046579; CHEBI:177762; HY-B1516; ZINC1725270; Tox21_112376; BDBM50132287; MFCD00056058; s6848; 3'-Deoxy-3'-fluorothymidine, 97%; AKOS015917785; Tox21_112376_1; DB06198; FC-1032; 3''-Fluoro-2'',3''-dideoxythymidine; NCGC00166256-02; 3'-Fluoro-3'-deoxythymidine (Alovudine); AS-60404; R132; 3'-Deoxy-3'-fluorothymidine(ALOVUDINE); CL-184,824; CS-0013305; D02830; 526D936; A817893; Q4734671; 1-(3-fluoro-2,3-dideoxy-beta-D-erythro-pentofuranosyl)thymine; 1-[(2R,4S,5R)-4-luoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; 1-((2R,5R)-4-Fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione; 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140025	.	.	.	.	244.22	C10H13FN2O4	78.9	385	-0.3	17	2	5	2	"InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1"	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F	UXCAQJAQSWSNPQ-XLPZGREQSA-N
DG50405	Carboxymethyl ethylxanthate	33055	"25554-84-1; Carboxymethyl ethylxanthate; [(ethoxycarbonothioyl)thio]acetic acid; Ethyl xanthogeneacetic acid; 2-ethoxycarbothioylsulfanylacetic acid; 2-[(ethoxymethanethioyl)sulfanyl]acetic acid; NSC85743; Dithiocarbonic acid S-carboxymethyl O-ethyl ester; UNII-H778OG3C6S; 2-((Ethoxycarbonothioyl)thio)acetic acid; Acetic acid, [(ethoxythioxomethyl)thio]-; H778OG3C6S; NSC-85743; ((Ethoxythiomethyl)thio)acetic acid; NSC 85743; BRN 1771184; Xanthic acid, ethyl-, ester with mercaptoacetic acid; Xanthic acid, ethyl-, carboxymethyl ester; CARBONIC ACID, DITHIO-, S-CARBOXYMETHYL O-ETHYL ESTER; WLN: SUYO2&S1VQ; Acetic acid, ((ethoxythiomethyl)thio)- (9CI); NCIStruc1_000099; NCIStruc2_000179; 4-03-00-00611 (Beilstein Handbook Reference); ETHYLXANTHOGENACETIC ACID; SCHEMBL3412115; CHEMBL1446522; DTXSID60180251; ALBB-026263; NCI85743; ZINC1760604; ((ethoxycarbothioyl)thio)acetic acid; CCG-36305; Ethoxythiocarbonylsulfanyl-acetic acid; MFCD00022145; NCGC00013900; AKOS003684870; MCULE-8546838454; S-ethoxythiocarbonyl mercaptoacetic acid; NCGC00013900-02; NCGC00097009-01; LS-08923; NCI60_041895; S-(Carboxymethyl) O-ethyl dithiocarbonate; 2-[(Ethoxycarbonothioyl)sulfanyl]acetic acid; Carbonic acid, S-carboxymethyl o-ethyl ester; Acetic acid, ((ethoxythioxomethyl)thio)- (9CI); Carbonic acid, dithio-, O-ethyl ester, S-ester with mercaptoacetic acid (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85743	.	.	.	.	180.2	C5H8O3S2	104	135	1.6	10	1	5	5	"InChI=1S/C5H8O3S2/c1-2-8-5(9)10-3-4(6)7/h2-3H2,1H3,(H,6,7)"	CCOC(=S)SCC(=O)O	CZLONQRTHUAGMG-UHFFFAOYSA-N
DG50406	"1,2,3-Tribenzylguanidine"	33144	"1,2,3-tribenzylguanidine; MLS002638736; 5440-98-2; NSC20644; CHEMBL1702199; SCHEMBL16443508; DTXSID30275022; HMS3078C17; ZINC1571152; NSC-20644; SMR001548203; DS-008175"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20644	.	.	.	.	329.4	C22H23N3	36.4	351	4.1	25	2	1	8	"InChI=1S/C22H23N3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,23,24,25)"	C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3	CRQXNVPOHIITIU-UHFFFAOYSA-N
DG50407	"Colchicine, 17-chloro-"	33463	"Chlorocolchicine; Chlorcolchicine; COLCHICINE, 17-CHLORO-; 26279-89-0; 17-Chlorocolchicine; NSC 142024; BRN 2790212; Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-; CHEMBL315180; DTXSID90180906; ZINC5023614; NSC142024; NSC164850; NSC-142024; NSC-164850; Acetamide,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl); Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164850	.	.	.	.	433.9	C22H24ClNO6	83.1	761	1.7	30	1	6	6	"InChI=1S/C22H24ClNO6/c1-27-17-8-6-13-14(10-16(17)25)15(24-19(26)11-23)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15H,5,7,11H2,1-4H3,(H,24,26)/t15-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl	XBFWCWRZDWNRIE-HNNXBMFYSA-N
DG50408	"Aniline, 3,4-methylenedioxy-N-(2-oxazolinyl)-"	33632	"NSC664285; ANILINE, 3,4-METHYLENEDIOXY-N-(2-OXAZOLINYL)-; 26882-70-2; BRN 0994546; 2-(3,4-Methylenedioxyaniline)-2-oxazoline; CHEMBL1978933; DTXSID60181389; N-(1,3-Benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine; ZINC1639228; NSC-664285; NCI60_022160; N-(1,3-benzodioxol-5-yl)-4,5-dihydrooxazol-2-amine; N-(1,3-Benzodioxol-5-yl)-N-(4,5-dihydro-1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664285	.	.	.	.	206.2	C10H10N2O3	52.1	269	1	15	1	4	2	"InChI=1S/C10H10N2O3/c1-2-8-9(15-6-14-8)5-7(1)12-10-11-3-4-13-10/h1-2,5H,3-4,6H2,(H,11,12)"	C1COC(=N1)NC2=CC3=C(C=C2)OCO3	SMPAXXXLWWFLFY-UHFFFAOYSA-N
DG50409	"6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine"	34942	"30355-60-3; 6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine; 6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine; 6-(chloromethyl)-N2-phenyl-1,3,5-triazine-2,4-diamine; NSC89736; MLS000771929; 2-amino-4-anilino-6-(chloromethyl)-1,3,5-triazine; SCHEMBL2493403; CHEMBL1442172; 1,3,5-Triazine-2,4-diamine,6-(chloromethyl)-N2-phenyl-; 6-(chloromethyl)-N'-phenyl-1,3,5-triazine-2,4-diamine; DTXSID70275127; HMS2686E16; KUC105472N; ZINC542346; ALBB-022032; 9586AD; KSC-1-298; MFCD00085524; NSC-89736; STL283812; 4-(TRIFLUOROACETYL)BENZOICACID; AKOS000270248; AKOS001444959; AKOS030689601; MCULE-8355342636; SB73299; NCGC00245973-01; LS-06777; NCI60_041993; SMR000376482; FT-0651746; EN300-13366; 2-Amino-4-anilino-6-(chloromethyl)-S-triazine; A820342; s-Triazine, 2-amino-4-anilino-6-(chloromethyl)-; SR-01000051679; SR-01000051679-1; [4-amino-6-(chloromethyl)-s-triazin-2-yl]-phenyl-amine; 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-phenyl-; 6-(Chloromethyl)-N~2~-phenyl-1,3,5-triazine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89736	.	.	.	.	235.67	C10H10ClN5	76.7	209	1.9	16	2	5	3	"InChI=1S/C10H10ClN5/c11-6-8-14-9(12)16-10(15-8)13-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16)"	C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl	ZEXYPLRLARKYLF-UHFFFAOYSA-N
DG50410	"s-Triazine, 2,4-dichloro-6-(1-naphthylamino)-"	35300	"30369-88-1; NSC663623; s-Triazine, 2,4-dichloro-6-(1-naphthylamino)-; BRN 0241330; 2,4-DICHLORO-6-(1-NAPHTHYLAMINO)-S-TRIAZINE; 5-26-08-00023 (Beilstein Handbook Reference); SCHEMBL8973410; CHEMBL1968377; 1,3,5-Triazin-2-amine, 4,6-dichloro-N-1-naphthalenyl-; DTXSID90184449; ZINC1638842; AKOS012153393; NSC-663623; NCI60_021842; N-(1-Naphthyl)-4,6-dichloro-s-triazine-2-amine; 4,6-Dichloro-N-(1-naphthyl)-1,3,5-triazin-2-amine; N-(4,6-Dichloro-1,3,5-triazin-2-yl)-N-(1-naphthyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663623	.	.	.	.	291.13	C13H8Cl2N4	50.7	294	4.7	19	1	4	2	"InChI=1S/C13H8Cl2N4/c14-11-17-12(15)19-13(18-11)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17,18,19)"	C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl	DDGDKGONLRLJDM-UHFFFAOYSA-N
DG50411	3-Ketobutyltrimethylammonium iodide	35720	"MLS002701685; 31034-98-7; N,N,N-Trimethyl-3-oxobutan-1-aminium iodide; 3-Ketobutyltrimethylammonium iodide; N-Butan-3-one-N,N,N-trimethylammonium iodide; AMMONIUM, N-BUTAN-3-ONE-N,N,N-TRIMETHYL-, IODIDE; CHEMBL1874433; SCHEMBL11575833; DTXSID40953147; NSC638636; NSC-638636; SMR001565283; trimethyl-(beta-acetylethyl)-ammonium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638636	.	.	.	.	257.11	C7H16INO	17.1	102	.	10	0	2	3	"InChI=1S/C7H16NO.HI/c1-7(9)5-6-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1"	CC(=O)CC[N+](C)(C)C.[I-]	GUIWMJZVPUIZPM-UHFFFAOYSA-M
DG50412	Flubendazole	35802	"Flubendazole; 31430-15-6; Flubendazol; Flumoxane; Fluvermal; Flubenol; Methyl (5-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-yl)carbamate; Flubendazolum; R 17,889; Flumoxanal; Methyl 5-(p-fluorobenzoyl)-2-benzimidazolecarbamate; NSC 313680; UNII-R8M46911LR; Methyl [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; R 17899; (5-(4-Fluorobenzoyl)-1H-benzimidazole-2-yl)carbamic acid methyl ester; Methyl N-(5-(p-fluorobenzoyl)-2-benzimidazolyl)carbamate; C16H12FN3O3; CHEBI:77095; Flubendazole-d3; R8M46911LR; MFCD00871999; NSC313680; NSC-313680; CPD000466360; methyl N-[5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; methyl N-{5-[(4-fluorophenyl)carbonyl]-1H-1,3-benzodiazol-2-yl}carbamate; Flubendazol [INN-Spanish]; Flubendazolum [INN-Latin]; SMR000466360; CCRIS 4480; SR-01000759412; EINECS 250-624-4; Flicum; Flubendazole [USAN:INN:BAN]; methyl {6-[(4-fluorophenyl)carbonyl]-1H-benzimidazol-2-yl}carbamate; Carbamic acid, (5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl)-, methyl ester; methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate; Flubendazole (Flutelmium); 2-BENZIMIDAZOLECARBAMIC ACID, 5-(p-FLUOROBENZOYL)-, METHYL ESTER; Flubendazole (USAN/INN); R-17889; MLS000759477; MLS001424042; MLS006010905; SCHEMBL167185; R-17,889; CHEMBL1454946; DTXSID8023058; 5-(p-fluorobenzoyl)-2-benzimidazolecarbamic acid methyl ester; HMS2051A18; HMS2090I16; HMS3393A18; HMS3714D06; ACT02027; BCP34258; HY-B0294; ZINC3830847; s1837; AKOS015894917; AKOS015960439; AC-8716; CCG-100887; CCG-267614; DB08974; NC00137; NCGC00246966-01; NCGC00246966-03; NCGC00246966-12; AS-12271; F0825; FT-0626436; D04200; D70276; J10180; AB00639981-06; AB00639981-08; AB00639981_09; Flubendazol, VETRANAL(TM), analytical standard; 430F156; A820846; Q241992; Flubendazole, Antibiotic for Culture Media Use Only; Q-201119; SR-01000759412-4; SR-01000759412-5; Methyl [5-(4-Fluorobenzoyl)benzimidazol-2-yl]carbamate; Flubendazol, European Pharmacopoeia (EP) Reference Standard; methyl 5-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-ylcarbamate; [5-(4-Fluorobenzoyl)benzimidazol-2-yl]carbamic Acid Methyl Ester; Methyl (5-(4-fluorobenzoyl)-1H-benzo-[d]imidazol-2-yl)carbamate; methyl (6-(4-fluorobenzoyl)-1H-benzo[d]imidazol-2-yl)carbamate; Carbamicacid, [5-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]-methylester; N-{5-[(4-Fluorophenyl)carbonyl]benzimidazol-2-yl}methyloxymethanamide; Flubendazole for system suitability, European Pharmacopoeia (EP) Reference Standard; N-[6-[(4-fluorophenyl)-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester; NSC 313680; NSC313680; NSC-313680; R 17899; R17899; R-17899"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313680	.	.	.	.	313.28	C16H12FN3O3	84.1	454	2.9	23	2	5	4	"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F	CPEUVMUXAHMANV-UHFFFAOYSA-N
DG50413	Bikaverin	36433	"Bikaverin; Lycopersin; 33390-21-5; NSC 215139; BRN 0358013; NSC215139; UNII-F1N6BX58PJ; F1N6BX58PJ; 10H-BENZO(b)XANTHENE-7,10,12-TRIONE, 6,11-DIHYDROXY-3,8-DIMETHOXY-1-METHYL-; CHEBI:3096; 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione; 6,11-dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione; Neuro_000112; 5-18-05-00692 (Beilstein Handbook Reference); CHEMBL373432; DTXSID80187020; ZINC5765165; NSC-215139; 7,10-Dihydro-6,11-dihydroxy-3,8-dimethoxy-1-methyl-12H-benzo(b)xanthene-7,10,12-trione; NCI60_001795; HY-121004; CS-0078923; J-019172; Q27105942; 6,11-dihydroxy-3,8-dimethoxy-1-methyl-benzo[b]xanthene-7,10,12-trione; 7,10-dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-6,11,12-trione; 10H-Benzo[b]xanthene-7,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-; 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-7H-benzo[b]xanthene-7,10,12-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215139	.	.	.	.	382.3	C20H14O8	119	743	3.6	28	2	8	2	"InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,21-22H,1-3H3"	CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC	QXNACSREWQXWCV-UHFFFAOYSA-N
DG50414	Isovelleral	37839	"Isovelleral; Iso-Velleral; 37841-91-1; (+)-Isovelleral; marasmane; CCRIS 1699; NSC 299922; UNII-475W04BXJ7; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde; MLS000517255; CHEBI:6070; CHEMBL518292; 475W04BXJ7; SMR000127505; BRN 2506661; NSC299922; Isovelleral, solid; cid_37839; GTPL6287; SCHEMBL15159483; BDBM61009; ZINC4098278; MFCD01735881; NCGC00247038-01; Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-; C09692; M01901; Q27894435; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde; (1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde; Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aS,6bR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299922	.	.	.	.	232.32	C15H20O2	34.1	434	2.4	17	0	2	2	"InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1"	C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O	PJAAESPGJOSQGZ-DZGBDDFRSA-N
DG50415	2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid	38312	"39669-49-3; 2-[[4-[BIS(2-BROMOPROPYL)AMINO]-2-TOLYL]AZO]BENZOIC ACID; UNII-5MXL56V9K8; CB-10252; 5MXL56V9K8; NSC240419; 2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]diazenyl]benzoic acid; 2-((4-(Bis(2-bromopropyl)amino)-2-tolyl)azo)benzoic acid; CB 10252; EINECS 254-583-3; 2-({4-[Bis(2-bromopropyl)amino]-2-methylphenyl}diazenyl)benzoic acid; Azobenzene, 4-bis(2-bromopropyl)amino-2'-carboxy-2-methyl-; Benzoic acid, 2-(4-bis(2-bromopropyl)amino-1-(o-tolyl))azo-; CHEMBL1994998; DTXSID90960285; Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]azo]-; BENZOIC ACID, 2-(4-BIS(2-BROMOPROPYL)AMINO-2-METHYL)PHENYLAZO-; NSC 240419; NSC-240419; NCI60_001928; Q27262576; 2-[[4-[Bis-(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240419	.	.	.	.	497.2	C20H23Br2N3O2	65.3	496	6.1	27	1	5	8	"InChI=1S/C20H23Br2N3O2/c1-13-10-16(25(11-14(2)21)12-15(3)22)8-9-18(13)23-24-19-7-5-4-6-17(19)20(26)27/h4-10,14-15H,11-12H2,1-3H3,(H,26,27)"	CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O	IUBPTOPNFAZJQA-UHFFFAOYSA-N
DG50416	"3,6-Diamino-2,7,10-trimethylacridinium chloride"	38475	"6441-73-2; Basic Yellow 5; 3,6-Diamino-2,7,10-trimethylacridinium chloride; UNII-07BP340B4T; 07BP340B4T; 2,7,10-trimethylacridin-10-ium-3,6-diamine;chloride; 3,6-diamino-2,7,10-trimethylacridin-10-ium chloride; 40451-58-9; 10-Methylacridinium Yellow; Patent Phosphine G; Aurophosphine G; Corioflavine G; Corioflavine R; Corioflavin GG; Flavophosphine R; Corioflavine GGR; Aurophosphine 4G; EINECS 229-224-9; 3,6-Diamino-2,7-dimethyl-10-methylacridinium chloride; ACRIDINIUM, 3,6-DIAMINO-2,7,10-TRIMETHYL-, CHLORIDE; DTXSID60960838; NSC73411; NSC 73411; NSC-73411; AKOS024340964; MCULE-7255220385; C.I. 46035; Acridinium,6-diamino-2,7,10-trimethyl-, chloride; Q27236293"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73411	.	.	.	.	287.79	C16H18ClN3	55.9	302	.	20	2	3	0	"InChI=1S/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H"	CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C.[Cl-]	ADAOOVVYDLASGJ-UHFFFAOYSA-N
DG50417	Triazinate	38777	"TRIAZINATE; 41191-04-2; Baker's Antifol soluble; NSC 139105; Baker's Antifolante; UNII-DD99Y262WC; TCMDC-137788; NSC139105; TZT; MLS002920470; DD99Y262WC; NSC-139105; BAF; NSC 139105; Soluble baker's antifol; 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethylbenzamide;ethanesulfonic acid; Baker's triazine antifolate; Ethanesulfonic acid, compd.with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylben zamide (1:1); CHEMBL587564; SCHEMBL6456167; DTXSID70961492; CCG-35419; m-Toluamide, alpha-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazine-1(2H)-yl)phenoxy)-N,N-dimethyl-, ethanesulfonate; SMR001798060; Q27276340; Ethanesulfonic acid, compd. with 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)-N,N-dimethylbenzamide (1:1) (9CI); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-phenoxy]-N,N-dimethyl-m-toluamide; Ethanesulfonic acid--3-{[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenoxy]methyl}-N,N-dimethylbenzamide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139105	.	.	.	.	539	C23H31ClN6O5S	172	800	.	36	3	6	6	"InChI=1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C	HKPVIFTWECXNPY-UHFFFAOYSA-N
DG50418	13-Methoxydihydronitidine	38845	"13-Methoxydihydronitidine; Nitidine pseudomethanolate; 5,6-Dihydro-6-methoxynitidine; NSC146396; 41349-33-1; Nitidine, methoxydihydro-; NSC-146396; NSC 146396; BRN 0582405; NITIDINE, METHOXYDIHYDRO; [1,6-c]phenanthridine, 12,13-dihydro-2,3,13-trimethoxy-12-methyl-; Neuro_000080; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-12-methyl-2,3,13-trimethoxy-; 12,13-Dihydro-12-methyl-2,3,13-trimethoxy-(1,3)benzodioxolo(5,6-c)phenanthridine; CHEMBL488612; SCHEMBL13103359; NSC147789; NSC166741; 2,3,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine; NSC-147789; NSC-166741; 2,3,13-Trimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine; NCI60_000994; (1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-2,3,13-trimethoxy-12-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146396	.	.	.	.	379.4	C22H21NO5	49.4	561	4.2	28	0	6	3	"InChI=1S/C22H21NO5/c1-23-21-13(6-5-12-7-19-20(8-14(12)21)28-11-27-19)15-9-17(24-2)18(25-3)10-16(15)22(23)26-4/h5-10,22H,11H2,1-4H3"	CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC	SZEOMBMBHCBJJE-UHFFFAOYSA-N
DG50419	Ciclopirox olamine	38911	"Ciclopirox olamine; 41621-49-2; Ciclopirox ethanolamine; ciclopiroxolamine; Batrafen; Micoxolamina; Brumixol; Ciclopiroxolamin; Ciclopirox (olamine); Mycoster; HOE 296; Ciclochem; UNII-50MD4SB4AP; Ciclopirox ethanolamine salt (1:1); 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one; MFCD00078997; 50MD4SB4AP; Ciclobirox Olamine; MLS003170863; HOE-296; NSC336278; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone compound with 2-aminoethanol (1:1); 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one compound with 2-aminoethanol (1:1); NSC-336278; NCGC00017112-01; CAS-41621-49-2; Loprox (TN); DSSTox_CID_25583; DSSTox_RID_80979; DSSTox_GSID_45583; MLS002153867; 2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one; SR-05000001589; SMR001233223; EINECS 255-464-9; NSC 336278; Kopcycloamine; Dafnegin; RV4104A; Penlac nail lacquer; Prestwick_785; Ciclopirox olamine [USAN:USP:JAN]; Spectrum_000150; Ciclopirox Olamine,(S); 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone ethanolamine salt; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridone, 2-aminoethanol salt; Ciclopirox olamine- Bio-X; Ciclopirox Olamine USP/EP; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridon, 2-aminoethanol-salz [German]; 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compd. with 2-aminoethanol (1:1); 2-Aminoethanol compd. with 6-cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone (1:1); 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone compd. with 2-aminoethanol (1:1); 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one, compound with 2-aminoethanol (1:1); SCHEMBL66960; KBioSS_000630; DivK1c_000705; SPECTRUM1500189; Ciclopirox olamine (JAN/USP); CHEMBL242580; DTXSID6045583; HMS502D07; HY-B0450A; KBio1_000705; KBio2_000630; KBio2_003198; KBio2_005766; NINDS_000705; HMS1569N03; HMS1920O09; HMS2091E16; HMS2096N03; HMS2232B06; HMS3656B16; HMS3713N03; Pharmakon1600-01500189; Tox21_110781; 6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridon, 2-aminoethanol-salz; CCG-38945; NSC756694; s3019; 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one 2-aminoethanol (1:1); AKOS015891685; Tox21_110781_1; Ciclopirox olamine, analytical standard; CS-4767; KS-5086; NSC-756694; 2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compound with 2-aminoethanol (1:1); IDI1_000705; NCGC00017112-02; NCGC00017112-03; NCGC00017112-10; NCGC00094623-01; NCGC00094623-02; AC-14469; BC164302; Ciclopirox ethanolamine;Ciclopirox olamine; NCI60_002954; SY102087; FT-0602960; SW196923-4; 42C050; D01364; J10104; A825610; SR-05000001589-1; SR-05000001589-3; 2(1H)-Pyridinone, compd. with 2-aminoethanol (1:1); 2-aminoethanol; 6-cyclohexyl-1-hydroxy-4-methyl-pyridin-2-one; Ciclopirox olamine, European Pharmacopoeia (EP) Reference Standard; 6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one 2-aminoethanol salt; Ciclopirox olamine, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336278	.	.	.	.	268.35	C14H24N2O3	86.8	335	.	19	3	4	2	"InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2"	CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N	MBRHNTMUYWQHMR-UHFFFAOYSA-N
DG50420	"N,N-Dimethyl-p-(7-benzofurylazo)aniline"	39164	"NSC680515; MLS000756725; 4-(1-Benzofuran-7-yldiazenyl)-N,N-dimethylaniline; 42242-58-0; NSC-680515; SMR000529112; N-(4-(1-Benzofuran-7-yldiazenyl)phenyl)-N,N-dimethylamine; N,N-Dimethyl-p-(7-benzofurylazo)aniline; p-(7-Benzofurylazo)-N,N-dimethylaniline; ANILINE, p-(7-BENZOFURYLAZO)-N,N-DIMETHYL-; NCIStruc1_000796; NCIStruc2_001035; cid_39164; CHEMBL1410407; CHEMBL1522796; BDBM76588; CCG-36594; NCGC00014983; NCI680515; ZINC18068040; ZINC100133307; NCGC00014983-02; NCGC00098083-01; NCI60_028715; 4-(7-benzofuranylazo)-N,N-dimethylaniline; 7-(p-N,N-Dimethylaminophenylazo)benzofuran; [4-(benzofuran-7-ylazo)phenyl]-dimethyl-amine; 4-(Benzofuran-7-ylazo)-N,N-dimethylbenzenamine; 4-[(E)-benzofuran-7-ylazo]-N,N-dimethyl-aniline; 4-(1-benzofuran-7-yldiazenyl)-N,N-dimethyl-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680515	.	.	.	.	265.31	C16H15N3O	41.1	337	4.2	20	0	4	3	"InChI=1S/C16H15N3O/c1-19(2)14-8-6-13(7-9-14)17-18-15-5-3-4-12-10-11-20-16(12)15/h3-11H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3	LHVRXAUETJRESN-UHFFFAOYSA-N
DG50421	Massoia lactone	39914	"Massoia lactone; 54814-64-1; Massoilactone; 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-; 5,6-Dihydro-6-pentyl-2H-pyran-2-one; 2-pentyl-2,3-dihydropyran-6-one; 6-Pentyl-5,6-dihydro-2H-pyran-2-one; 5-hydroxy-2-decenoic acid lactone; (+/-)-Massoilactone; 5-Hydroxy-2-decenoic acid, delta-lactone; 5-Hydroxy-2-decenoic acid, lactone; 5-Hydroxy-2-decenoic acid delta-lactone; (R)-(-)-Massoilactone; C-10 massoia lactone; 5-HYDROXY-2-DECENOICACIDLACTONE; Massoy lactone; FEMA No. 3744; 2-decen-5-olide; EINECS 259-359-9; (R)-massoia lactone; C-10-Massoia lactone; 2-Deceno-delta-lactone; (.+/-.)-Massoilactone; 5-Hydroxy-2-decenoic acid, delta-lactone (natural); SCHEMBL1686964; CHEMBL1991946; FEMA 3744; DTXSID80866186; 6-pentyl-5,6-dihydropyran-2-one; HY-N7435; 6-pentyl-5,6-dihydro-pyran-2-one; NSC720841; 5-Hydroxy-2-decenoic acid D-lactone; NSC-720841; Massoia Lactone, natural, >=95%, FG; (6R)-6-pentyl-5,6-dihydropyran-2-one; NCI60_041415; 5-Hydroxy-2-decenoic acid .delta.-lactone; 6-Pentyl-5,6-dihydro-2H-pyran-2-one #; FT-0605071; FT-0620464; (R)-5,6-Dihydro-6-pentyl-2H-pyran-2-one; 5,6-Dihydro-6-pentyl-(R)-2H-Pyran-2-one; 5,6-Dihydro-6-pentyl-(6R)-2H-Pyran-2-one; 5,6-Dihydro-6-pentyl-(theta)-2H-Pyran-2-one; 5-Hydroxy-2-decenoic acid laquo deltaRaquo -lactone; Q6784821"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	720841	.	.	.	.	168.23	C10H16O2	26.3	173	3.1	12	0	2	4	"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3"	CCCCCC1CC=CC(=O)O1	NEDIAPMWNCQWNW-UHFFFAOYSA-N
DG50422	Fagaronine chloride	40304	"Fagaronine chloride; 52259-64-0 (chloride); 52259-64-0; 2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo(c)phenanthridinium chloride; MLS002702529; NSC157995; NSC 157995; BENZO(c)PHENANTHRIDINIUM, 2-HYDROXY-3,8,9-TRIMETHOXY-5-METHYL-, CHLORIDE; SCHEMBL424548; CHEMBL282622; 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol chloride; BDBM50478514; NSC-157995; SMR001566141; 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol;chloride; Benzo[c]phenanthridinium,8,9-trimethoxy-5-methyl-, chloride (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157995	.	.	.	.	385.8	C21H20ClNO4	51.8	489	.	27	1	5	3	"InChI=1S/C21H19NO4.ClH/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22;/h5-11H,1-4H3;1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC.[Cl-]	VVEPUJCLNRDIEQ-UHFFFAOYSA-N
DG50423	"2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid"	40586	"NANAOMYCIN; 2-(9-Hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid; MLS002702116; NSC267461; NSC-267461; SMR001565684; Neuro_000132; cid_40586; CHEMBL1212972; SCHEMBL18567076; BDBM80078; SMP2_000265; NCI60_002162; BRD-A86160188-001-01-8; 2-(9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid; 2-(9-hydroxy-5,10-diketo-1-methyl-3,4-dihydro-1H-benz[g]isochromen-3-yl)acetic acid; (9-Hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid; 2-[1-methyl-9-oxidanyl-5,10-bis(oxidanylidene)-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267461	.	.	.	.	302.28	C16H14O6	101	563	1.3	22	2	6	2	"InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)"	CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O	ZCJHPTKRISJQTN-UHFFFAOYSA-N
DG50424	Oxfendazole	40854	"Oxfendazole; 53716-50-0; Fenbendazole sulfoxide; Synanthic; OFDZ; Systamex; Repidose; Systemax; fenbendazole S-oxide; Oxfendazolum; Oxfendazol; Synanthic (Veterinary); RS-8858; 5-Phenylsulfinyl-2-carbomethoxyaminobenzimidazole; RS 8858; methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate; UNII-OMP2H17F9E; 5-(Phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester; Methyl 5-(phenylsulfinyl)-2-benzimidazolecarbamate; methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate; (5-(Phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester; Oxfendazole (USP/INN); OMP2H17F9E; CHEMBL42442; Methyl (5-phenylsulfinyl)-1H-benzimidazol-2-yl carbamate; CHEBI:35812; Carbamic acid, [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester; NSC-758943; NCGC00095157-04; [5-(Phenylsulfinyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; CARBAMIC ACID, (5-(PHENYLSULFINYL)-1H-BENZIMIDAZOL-2-YL)-, METHYL ESTER; DSSTox_CID_24112; DSSTox_RID_80103; DSSTox_GSID_44112; Methyl [5-(Phenylsulfinyl)benzimidazol-2-yl]carbamate; methyl N-[5-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate; [5-(Phenylsulfinyl)benzimidazol-2-yl]carbamic Acid Methyl Ester; Oxfendazol [INN-Spanish]; Oxfendazolum [INN-Latin]; HOE 8105; CAS-53716-50-0; Oxfendazole [USAN:BAN:INN]; FBZ-SO; EINECS 258-714-5; Methyl 5-(phenylsulfinyl)-benzimidazol-2-carbamate; BRN 0761290; Benzelmin; Nanthic; CCRIS 9430; Oxfendazole-d3; N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester; Synanthic (TN); Oxfendazole [USAN:USP:INN:BAN]; methyl 5(6)-phenylsulfinyl-2-benzimidazolecarbamate; Fenbendazole sulphoxide; 2-Benzimidazolecarbamic acid, 5-(phenylsulfinyl)-, methyl ester; Spectrum2_001704; Spectrum3_001972; Oprea1_563224; SCHEMBL44121; BSPBio_003572; MLS004712073; Synanthic [veterinary] (TN); SPECTRUM1505296; SPBio_001688; SCHEMBL9818561; DTXSID9044112; KBio3_002947; HMS1922B08; HMS2090F19; HMS2093O16; HMS3655M14; HMS3715E09; Pharmakon1600-01505296; BCP09602; HY-B0291; Oxfendazole (Fenbendazole Sulfoxide); Tox21_113444; Tox21_302383; BDBM50300124; Carbamic acid, 5-(phenylsulfinyl)-1H-benzimidazol-2-yl-, methyl ester; CCG-39503; MFCD00801063; NSC758943; s1830; STK378905; Fenbendazole Sulphoxide (Oxfendazole); AKOS005448898; AKOS015918230; Tox21_113444_1; AC-8715; CCG-220984; DB11446; KS-5036; MCULE-2247044354; NSC 758943; NCGC00095157-01; NCGC00095157-02; NCGC00095157-03; NCGC00095157-05; NCGC00095157-06; NCGC00255714-01; H844; SMR001550468; Oxfendazole 100 microg/mL in Acetonitrile; SBI-0206760.P001; DB-052387; FT-0630662; O0391; SW199450-2; C21882; D05291; T72586; AB01275512-01; AB01275512_02; AB01275512_03; Oxfendazole, VETRANAL(TM), analytical standard; 716O500; A829749; A905222; SR-01000872713; Q-201525; Q7115199; SR-01000872713-1; BRD-A33447119-001-02-5; BRD-A33447119-001-03-3; BRD-A33447119-001-05-8; Oxfendazole, European Pharmacopoeia (EP) Reference Standard; methyl (6-(phenylsulfinyl)-1H-benzo[d]imidazol-2-yl)carbamate; methyl 5-(phenylsulfinyl)-1H-benzo[d]imidazol-2-ylcarbamate; METHYL 6-(PHENYLSULFINYL)-1H-BENZIMIDAZOL-2-YLCARBAMATE; methyl 6-(phenylsulfinyl)-1H-benzo[d]imidazol-2-ylcarbamate; methyl N-[6-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate; Methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate, 9CI; methyl N-[5-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate; Oxfendazole, United States Pharmacopeia (USP) Reference Standard; Carbamic acid, [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester;; Carbamic acid, N-[6-(phenylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	758943	.	.	.	.	315.3	C15H13N3O3S	103	428	2.3	22	2	5	4	"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3	BEZZFPOZAYTVHN-UHFFFAOYSA-N
DG50425	2'-Deoxycoformycin	40926	"Co-V; Vidarbine; CO-Vidarabine; 2'-Deoxycoformycin; NSC218321; PD-ADI; Deaminase inhibitor (PD); Vira A deaminase inhibitor; Deaminase inhibitor; NSC 218321; CL 67310465; 53910-25-1; Niapent; SCHEMBL172758; CHEMBL360191; NSC247520; NSC-247520; NCI60_001818; AB01273933-01; (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8- tetrahydro-, (R)-; Imidazo[4,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218321	.	.	.	.	268.27	C11H16N4O4	112	356	-2.1	19	4	6	2	"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6 ,7-,8 ,9 /m1/s1"	C1[C@H](C2=C(NC=N1)N(C=N2)C3CC(C(O3)CO)O)O	FPVKHBSQESCIEP-LDIRUYLGSA-N
DG50426	Acodazole hydrochloride	41445	"ACODAZOLE HYDROCHLORIDE; Acodazole HCl; 55435-65-9; UNII-6D7W9EAH22; EU 3120; Acodazole hydrochloride [USAN]; 6D7W9EAH22; NSC 305884; NSC-305884; Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-, monohydrochloride; EU-3120; Acodazole hydrochloride (USAN); N-Methyl-4'-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)acetanilide monohydrochloride; N-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl; NSC305884; SCHEMBL3953; CHEMBL2002735; 1H-Imidazo[4, acetamide deriv.; DTXSID40204000; D02757; Q27264571; Acetamide,5-f]quinolin-9-yl)amino]phenyl]-, monohydrochloride; Acetamide,N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]-,hydrochloride (1:1); N-methyl-N-[4-[(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305884	.	.	.	.	381.9	C20H20ClN5O	69.1	819	.	27	3	4	3	"InChI=1S/C20H19N5O.ClH/c1-12-10-18(19-16(23-12)8-9-17-20(19)22-11-21-17)24-14-4-6-15(7-5-14)25(3)13(2)26;/h4-11,23-24H,1-3H3;1H"	CC1=CC(=C2C(=CC=C3C2=NC=N3)N1)NC4=CC=C(C=C4)N(C)C(=O)C.Cl	SIEMBUZUHHIAFB-UHFFFAOYSA-N
DG50427	Nitazoxanide	41684	"NITAZOXANIDE; 55981-09-4; Alinia; 2-((5-nitrothiazol-2-yl)carbamoyl)phenyl acetate; Nitazoxamide; Daxon; Nitazoxanidum [INN-Latin]; Nitazoxanida [INN-Spanish]; 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate; Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-; [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate; 2-(Acetolyloxy)-N-(5-nitro-2-thiazolyl)benzamide; C12H9N3O5S; UNII-SOA12P041N; NSC 697855; NSC697855; NTZ; 2-Acetyloxy-N-[(5-nitro-2-thiazolyl)]benzamide; Nitazoxanide (Alinia, Annita); SOA12P041N; Nitazoxanida; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate; MFCD00416599; NSC-697855; NSC-760057; PH 5776; PH-5776; NCGC00090774-01; Nitazoxanid; Nitazoxanidum; Colufase; Cryptaz; Heliton; DSSTox_CID_13757; DSSTox_RID_79095; DSSTox_GSID_33757; Phavic-1; SMR000466367; Alinia (TN); AZT + Nitazoxanide; CAS-55981-09-4; EINECS 259-931-8; Nitazoxanide (USAN/INN); (2-((5-Nitro-2-thiazolyl)carbamoyl)phenyl)acetat; BRN 1225475; N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester); Nitrazoxanide; Pacovanton; Dexidex; Kidonax; Nitazox; Paramix; Nitax; Toza; Nitazoxanide [USAN:INN:BAN]; Alinia(TM); N-(5-Nitrothiazol-2-yl)salicylamide acetate ester; o-(N-(5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate; Nitazoxanide- Bio-X; Salicylamide, N-(5-nitro-2-thiazolyl)-, acetate (ester); CPD000466367; NCIMech_000843; CHEMBL1401; Oprea1_263587; SCHEMBL40981; MLS000759492; MLS001424074; MLS006010127; DTXSID5033757; CHEBI:94807; Nitazoxanide, >=98% (HPLC); NTZ;NSC 697855; HMS2051L04; HMS3393L04; HMS3655M11; HMS3715F10; Pharmakon1600-01503843; BCP13918; HY-B0217; ZINC3956788; Tox21_111018; Tox21_201226; BDBM50075050; CCG-35851; MMV688991; NSC760057; STK395664; AKOS015915393; Tox21_111018_1; AC-1302; DB00507; KS-1160; MCULE-8701444531; NC00246; NCGC00090774-02; NCGC00090774-03; NCGC00090774-04; NCGC00090774-05; NCGC00258778-01; BN164151; NCI60_034935; FT-0601547; N1031; Nitrazoxanide 100 microg/mL in Acetonitrile; S1627; SW197626-2; 2-(5-nitrothiazol-2-ylcarbamoyl)phenyl acetate; D02486; J10428; AB00639988-07; AB00639988-09; AB00639988_10; AB00639988_11; 981N094; A830877; SR-01000759418; Q-201475; Q2943789; SR-01000759418-9; NTZ; 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide; Salicylamide, N-(5-nitro-2-thiazolyl)- acetate (ester); Z1514087129; Nitazoxanide, United States Pharmacopeia (USP) Reference Standard; acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester; Zox"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	697855	.	.	.	.	307.28	C12H9N3O5S	142	428	2	21	1	7	4	"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)"	CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]	YQNQNVDNTFHQSW-UHFFFAOYSA-N
DG50428	N-Trifluoroacetyladriamycin-14-valerate	41744	"N-Trifluoroacetyladriamycin-14-valerate; AD 32; Trifluoroacetyladriamycin-14-valerate; AD-32; MLS002703032; NSC246131; Adriamycin, 14-valerate; Valstar (TN) (Anthra); CHEMBL20225; SCHEMBL1652790; DTXSID50929555; BCP07842; AKOS015895664; NCGC00164738-02; NCI60_001970; AB01273977-01; 136816-53-0; 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate; 2-Oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate; Pentanoic acid,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246131	.	.	.	.	723.6	C34H36F3NO13	215	1350	4	51	5	16	11	"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14 ,17 ,19-,22 ,27 ,33-/m0/s1"	CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O	ZOCKGBMQLCSHFP-ZQUOIQDWSA-N
DG50429	Spiromustine	41945	"SPIROMUSTINE; Spirohydantoin mustard; 56605-16-4; NSC-172112; NCI172112; UNII-J3HB83X76Z; J3HB83X76Z; SHM; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-5,5-pentamethylenehydantoin; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro(4.5)decane-2,4-dione; NSC172112; NSC172112;NSC268497; 1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(2-(bis(2-chloroethyl)amino)ethyl)-; 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione; Spiromustina; Spiromustina [Spanish]; Spiromustinum; Spiromustine [USAN:INN]; Spiromustinum [INN-Latin]; Spiromustina [INN-Spanish]; NSC 172112; BRN 0757144; Speratine; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione; Spiromustine (USAN/INN); CHEMBL27114; SCHEMBL11648500; DTXSID20205171; HY-U00155; ZINC28761602; 2-[2-[bis(2-chloroethyl)amino]ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione; CS-7196; NCI60_001387; D05910; 1,4-dione, 3-[2-[bis(2-chloroethyl)amino]ethyl]-; Q27281152; 1, {3-Diazaspiro[4.5]decane-2,4-dione,} {3-[2-[bis(2-chloroethyl)amino]ethyl]-}; 3-(2-[Bis(2-chloroethyl)amino]ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172112	.	.	.	.	336.3	C14H23Cl2N3O2	52.6	380	2	21	1	3	7	"InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)"	C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl	QNKJFXARIMSDBR-UHFFFAOYSA-N
DG50430	2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran	42460	"2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran; NSC667224; 57544-19-1; BRN 1394782; 2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene; 2H-1-BENZOPYRAN, 2-(4-CHLOROPHENYL)-8-METHOXY-3-NITRO-; CHEMBL2005842; DTXSID30973117; NSC-667224; NCI60_023398; (2-(4-Chlorophenyl)-8-methoxy-2H-chromen-3-yl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667224	.	.	.	.	317.72	C16H12ClNO4	64.3	442	4.1	22	0	4	2	"InChI=1S/C16H12ClNO4/c1-21-14-4-2-3-11-9-13(18(19)20)15(22-16(11)14)10-5-7-12(17)8-6-10/h2-9,15H,1H3"	COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl	QPWTVCSDBXVHHT-UHFFFAOYSA-N
DG50431	"Acridine, 9,9'-octamethylenedi(imino)bis-"	42559	"NSC219734; 57780-57-1; ACRIDINE, 9,9'-OCTAMETHYLENEDI(IMINO)BIS-; NSC-219734; NSC 219734; BRN 0503752; N,N'-Di(9-acridinyl)-1,8-diaminooctane; N,N'-di(acridin-9-yl)octane-1,8-diamine; N,N'-Bis-(9-acridinyl)-1,8-octanediamine; 1,8-Octanediamine, N,N'-di-9-acridinyl-; NCIMech_000402; CHEMBL43079; SCHEMBL13856923; DTXSID50206474; CCG-35574; N,N'-Octamethylenebis(9-acridinamine); NCI60_001828; N~1~,N~8~-Di(9-acridinyl)-1,8-octanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219734	.	.	.	.	498.7	C34H34N4	49.8	596	9.3	38	2	4	11	"InChI=1S/C34H34N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5-12,15-22H,1-4,13-14,23-24H2,(H,35,37)(H,36,38)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64	NEAXIRVWYPBDID-UHFFFAOYSA-N
DG50432	Diaziquone	42616	"diaziquone; 57998-68-2; Aziridinylbenzoquinone; Diaziquonum; CI-904; AZQ; NSC 182986; CI 904; NSC-182986; UNII-FQL5EUP13W; 2,5-Diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone; 3,6-Diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone; NSC182986; FQL5EUP13W; 3,6-Bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone; CHEBI:90185; Diethyl 2,5-bis-(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamate; 1,4-Cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester; Aziridinylquinone; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester; Diaziquona; Diaziquone [USAN:INN]; Diaziquonum [INN-Latin]; Diaziquona [INN-Spanish]; diethyl (2,5-di(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)dicarbamate; BRN 1333277; diazicuona; Diaziquon; Prestwick_54; Diaziquone (USAN/INN); NCIMech_000556; SCHEMBL4975; 5-20-01-00072 (Beilstein Handbook Reference); CHEMBL36016; DTXSID40206721; ZINC8214540; CCG-35937; NSC 182968; Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadien-1,4-diyl)bis-,diethyl ester; ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate; NCI60_001523; D03774; Q27162386; 3,6-diaziridinyl-2,5-bis(ethoxycarbonylamino)-1,4-benzoquinone; 1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester; 2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamic acid, diethyl ester; diethyl [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate; [2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-carbamicacid diethyl ester; Carbamic acid,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester; ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	182986	.	.	.	.	364.35	C16H20N4O6	117	671	0	26	2	8	8	"InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)"	CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3	WVYXNIXAMZOZFK-UHFFFAOYSA-N
DG50433	"Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide"	42640	"58131-57-0; NSC 207895; NSC-207895; NSC207895; NSC 179940; XI-006; Benzofurazan, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; MLS000756495; 4-(4-Methyl-1-piperazinyl)-7-nitro-benzofurazan 3-oxide; BENZOFURAZAN, 7-(4-METHYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; SMR000528763; NSC 207895 (XI-006); NSC-207895 (XI-006); 4-(4-methyl-1-piperazinyl)-7-nitro-2,1,3-benzoxadiazole, 3-oxide; WLN: T56 BNONJ BO FNW I- AT6N DNTJ D1; 7-(4-Methyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide; B2368; NCIStruc1_000831; NCIStruc2_001869; cid_42640; MLS006011023; SCHEMBL8738959; CHEMBL1608727; BDBM51256; DTXSID50206858; HMS2861M23; XI006; ZINC5180959; NSC179940; s2678; BCP9000997; NSC-179940; NCGC00246958-01; NCGC00246958-02; NCGC00246958-03; HY-14714; NCI60_001741; BCP0726000315; A4209; CS-0003525; NSC-207895 - XI-006; NSC 207895 (XI-006); X7598; 7-(4-methylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium; 2,1,3-Benzoxadiazole, 4-(4-methyl-1-piperazinyl)-7-nitro-, 3-oxide; 2,1,3-benzoxadiazole, 7-(4-methyl-1-piperazinyl)-4-nitro-, 1-oxide; 4-(4-methyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; 7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazole 1-oxide; 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium; 4-(hydroxy(oxido)amino)-7-(4-methyl-1-piperazinyl)-2,15,3-benzoxadiazol-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179940	.	.	.	.	279.25	C11H13N5O4	104	370	1.2	20	0	7	1	"InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3"	CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	MWFZDJLPWDCQIL-UHFFFAOYSA-N
DG50434	Elliptinium acetate	42722	"ELLIPTINIUM ACETATE; Celiptium; 58337-35-2; UNII-H9B41234P4; NSC-264137; Ellipticine analog; Elliptinium;H9M2E; H9B41234P4; NMHE; Ellipticine acetomethylate; 9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate; Elliptinii acetas; Acetato de eliptinio; Acetate d'elliptinium; Elliptinii acetas [INN-Latin]; Elliptinium acetate [INN:BAN]; Acetate d'elliptinium [INN-French]; Acetato de eliptinio [INN-Spanish]; EINECS 261-216-0; N2-Methylhydroxyellipticinium acetate; N-2-Methyl-9-hydroxyellipticinium acetate; 9-Hydroxy-2-methylellipticinium acetate; SCHEMBL7762; H9M2E; CHEMBL24078; DTXSID10207068; 9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate; 6H-Pyrido(4,3-b)carbazolium, 9-hydroxy-2,5,11-trimethyl-, acetate; NSC264137; NSC 264137; Q27279800; 6H-Pyrido[4, 9-hydroxy-2,5,11-trimethyl-acetate (salt); 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264137	.	.	.	.	336.4	C20H20N2O3	80	426	.	25	2	3	0	"InChI=1S/C18H16N2O.C2H4O2/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.CC(=O)[O-]	BOMZMNZEXMAQQW-UHFFFAOYSA-N
DG50435	Dinaline	42725	"Dinaline; Dinalin; 58338-59-3; Dianiline; 4-Amino-N-(2-aminophenyl)benzamide; NSC-328786; UNII-RG9G4Z82PY; 4-Amino-N-(2-amino-phenyl)-benzamide; BENZAMIDE, 4-AMINO-N-(2-AMINOPHENYL)-; NSC328786; RG9G4Z82PY; MLS001209873; NCGC00160373-01; SMR000504768; DSSTox_CID_26114; DSSTox_RID_81350; DSSTox_GSID_46114; Dinaline [French]; Dinalinum [Latin]; Dinaline [INN]; Dinalina [Spanish]; Dinalina; Dinalinum; 2',4-Diaminobenzanilide; Dinalin [INN]; CAS-58338-59-3; CCRIS 4383; SR-01000357428; GOE 1734; 4-Amino-N-(2'-aminophenyl)benzamide; NSC 328786; BRN 0653440; Goe-1734; AAPBA; 4-Amino-N-(2-aminophenyl)-benzamide; NCIMech_000549; Oprea1_155945; Oprea1_500351; SCHEMBL93636; cid_42725; ZINC1310; CHEMBL1351761; DTXSID3046114; BDBM115054; HMS2830B20; Tox21_111769; CCG-35683; AKOS000634932; N-(2-aminophenyl)-4-azanyl-benzamide; Tox21_111769_1; MCULE-2929381524; NCGC00160373-02; NCI60_002863; PD-104208; SR-01000357428-1; SR-01000357428-3; Q27288108"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328786	.	.	.	.	227.26	C13H13N3O	81.1	261	1.4	17	3	3	2	"InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17)"	C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)N	QGMGHALXLXKCBD-UHFFFAOYSA-N
DG50436	"N,N'-Bis(9-acridinyl)-1,6-hexanediamine"	42875	"N,N'-Bis(9-acridinyl)-1,6-hexanediamine; NSC 210733; 58903-52-9; N,N'-di(acridin-9-yl)hexane-1,6-diamine; UNII-9GJ14HS3E3; 9GJ14HS3E3; NSC219733; NSC 219733; BRN 0503229; N,N'-Di(9-acridinyl)-1,6-diaminohexane; 1,6-Hexanediamine, N,N'-di-9-acridinyl-; ACRIDINE, 9,9'-HEXAMETHYLENEBIS(IMINO)BIS-; CHEMBL38584; SCHEMBL6033155; DTXSID90207647; 1,6-bis-(9-acridinylamino)hexane; NSC-219733; NCI60_001827; N,N'-Di-9-acridinyl-1, 6-hexanediamine; N~1~,N~6~-Di(9-acridinyl)-1,6-hexanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219733	.	.	.	.	470.6	C32H30N4	49.8	569	8.2	36	2	4	9	"InChI=1S/C32H30N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3-10,13-20H,1-2,11-12,21-22H2,(H,33,35)(H,34,36)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64	FZSBSJDISGQMLW-UHFFFAOYSA-N
DG50438	6'-Bromodihydropapaverine	43029	"6'-Bromodihydropapaverine; 41823-67-0; NSC629156; 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; 1-(6'-Bromo-3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline; CHEMBL1985616; DTXSID90194629; NSC-629156; 1-((2-Bromo-4,5-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline; NCI60_009468; 1-(2-Bromo-4,5-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinoline; 1-(2-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline; 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629156	.	.	.	.	420.3	C20H22BrNO4	49.3	488	3.8	26	0	5	6	"InChI=1S/C20H22BrNO4/c1-23-17-8-12-5-6-22-16(14(12)10-19(17)25-3)7-13-9-18(24-2)20(26-4)11-15(13)21/h8-11H,5-7H2,1-4H3"	COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC	VTMKNFUOXXPXJN-UHFFFAOYSA-N
DG50439	"Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide"	43795	"MLS003115152; 7-(Benzylpiperazinyl)-4-nitrobenzofuroxan; 61785-84-0; BENZOFURAZAN, 7-(4-BENZYL-1-PIPERAZINYL)-4-NITRO-, 1-OXIDE; SMR001830735; Benzofurazan, 4-nitro-7-[4-(phenylmethyl)-1-piperazinyl]-, 1-oxide; NSC 228099; NSC228099; 7-(4-Benzyl-1-piperazinyl)-4-nitrobenzofurazan 1-oxide; Benzofuran, 4-nitro-7-(4-(phenylmethyl)-1-piperazinyl)-, 1-oxide; cid_43795; CHEMBL1869423; BDBM93557; DTXSID60210784; ZINC61860584; 4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; NSC-228099; WLN: T56 BNONJ BO FNW I- AT6N DNTJ DR D1; 7-(4-benzylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium; 7-nitro-3-oxidanidyl-4-[4-(phenylmethyl)piperazin-1-yl]-2,1,3-benzoxadiazol-3-ium; 7-nitro-3-oxido-4-[4-(phenylmethyl)-1-piperazinyl]-2,1,3-benzoxadiazol-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228099	.	.	.	.	355.3	C17H17N5O4	104	490	2.7	26	0	7	3	"InChI=1S/C17H17N5O4/c23-21(24)14-6-7-15(17-16(14)18-26-22(17)25)20-10-8-19(9-11-20)12-13-4-2-1-3-5-13/h1-7H,8-12H2"	C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]	HXSYYCOFWSTFAE-UHFFFAOYSA-N
DG50440	Yoronomycin	43854	"SEN-136A; NSC368697; 61932-77-2; Yoronomycin; BRN 4336770; Benzanthraceae derivative; Benz(a)anthracene-1,7,12(2H)-trione, 3,4,4a,12b-tetrahydro-2,3,4a,8, 12b-pentahydroxy-3-methyl-; CHEMBL1967268; DTXSID20977482; NSC-368697; 2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; NCI60_003392; 2,3,4a,8,12b-Pentahydroxy-3-methyl-3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione; 2,3,8,12b,4a-Pentahydroxy-3-methyl-2,3,4,12b,4a-pentahydrobenzo[2,1-a]anthracene-1,7,12-trione; Benz[a]anthracene-1,12(12b-H)-trione, 2,3,4,4a-tetra- hydro-2,3,4a,8,12a-pentahydroxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368697	.	.	.	.	372.3	C19H16O8	152	828	-0.7	27	5	8	0	"InChI=1S/C19H16O8/c1-17(25)7-18(26)6-5-9-12(19(18,27)16(24)15(17)23)14(22)8-3-2-4-10(20)11(8)13(9)21/h2-6,15,20,23,25-27H,7H2,1H3"	CC1(CC2(C=CC3=C(C2(C(=O)C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O	TVRZORMBTKRMAO-UHFFFAOYSA-N
DG50441	Triciribine phosphate	43860	"TRICIRIBINE PHOSPHATE; TCN-P; 61966-08-3; NSC-280594; UNII-5L5GE3DV88; Triciribine phosphate [USAN]; Pentaazaacenaphthylene-5' phosphate ester; 5L5GE3DV88; PHOSPHATE SALT OF TRICYCLIC NUCLEOSIDE; Triciribine phosphate (USAN); VQD-002; Tricirbine Phosphate; C13H17N6O7P; NSC 280594; NSC280594; triciribine-phosphate; SCHEMBL4541; Triciribine-5'-monophosphate; 3-Amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene 5'-(dihydrogen phosphate); Methyl3-amino-5-methylbenzoate; CHEMBL462018; DTXSID30210993; ZINC3916663; 2766AH; BDBM50422306; DB14636; Triciribine phosphate (NSC-280594); NCGC00346450-02; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-; 1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-; BCP0726000310; D06221; J-525061; Q27262513; [(2R,3S,4R,5R)-5-[amino(methyl)[ ]yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; TCN-monophosphate; ; ; NSC-280594; ; ; 1,4,5,6,8-Pentaazaacenaphthylene-3-amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl 5'-phosphate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280594	.	.	.	.	400.28	C13H17N6O7P	189	663	-3.3	27	5	11	4	"InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1"	CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N	URLYINUFLXOMHP-HTVVRFAVSA-N
DG50442	"Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-"	44567	"63620-51-9; Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-; NSC249278; NSC 249278; N-(Ethoxycarbonyl)deacetylthiocolchicine; BRN 3181473; CHEMBL19671; DTXSID30213000; ZINC5409784; NSC813205; NSC-249278; NSC-813205; NCI60_001991; (S)-[5,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL]CARBAMIC ACID, ETHYL ESTER; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249278	.	.	.	.	445.5	C23H27NO6S	108	776	2.5	31	1	7	7	"InChI=1S/C23H27NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1"	CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	SMEGTTUCKYOLLP-INIZCTEOSA-N
DG50443	"N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide"	45953	"N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide; 63981-16-8; CHEMBL464535; BENZAMIDE, N-(2,5-DIMETHYLPHENYL)-2-HYDROXY-3-NITRO-; 2',5'-Salicyloxylidide, 3-nitro-; NSC82029; 2', 3-nitro-; SCHEMBL7161422; DTXSID50213880; BDBM50274867; NSC 82029; NSC-82029; NCI60_041801; Benzamide,5-dimethylphenyl)-2-hydroxy-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82029	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-6-7-10(2)12(8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	ZHSZKAUBTWMIHX-UHFFFAOYSA-N
DG50444	"Benzamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-"	46151	"NSC33410; 63989-75-3; N-Benzoyl-deacetylcolchicine; N-Benzoyl tmca methyl ether; Colchicine, N-benzoyl-N-deacetyl-; N-Benzoyl trimethyl colchicinic acid methyl ether; BRN 3184511; COLCHICINE, N-DEACETYL-N-BENZOYL-; N-Benzoyltrimethylcolchicinsaeuremethylaether; Benzamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; 4-14-00-00952 (Beilstein Handbook Reference); Colchicinic acid, methyl ether; N-Deacetyl-N-benzoylcolchicine; CHEMBL286489; ZINC4769606; NSC 33410; NSC-33410; COLCHICINE, N-BENZOYL-DEACETYL; N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide; NCI60_002924; Colchicinic acid, N-benzoyltrimethyl-, methyl ether; Benzamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33410	.	.	.	.	461.5	C27H27NO6	83.1	855	2.7	34	1	6	6	"InChI=1S/C27H27NO6/c1-31-22-13-11-18-19(15-21(22)29)20(28-27(30)16-8-6-5-7-9-16)12-10-17-14-23(32-2)25(33-3)26(34-4)24(17)18/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)/t20-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4	XTSSXTWGEJTWBM-FQEVSTJZSA-N
DG50445	Aminoanfol	46855	"Aminoanfol; 4-Aminopteroylaspartic acid; 25312-31-6; 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid; 4-Amino pteroylaspartic acid; NSC98535; NSC 98535; NSC-98535; L-Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)- (9CI); L-Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-; Aspartic acid,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, L-; Aspartic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, L- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98535	.	.	.	.	426.4	C18H18N8O5	219	659	-2.3	31	6	12	8	"InChI=1S/C18H18N8O5/c19-14-13-15(26-18(20)25-14)22-7-10(23-13)6-21-9-3-1-8(2-4-9)16(29)24-11(17(30)31)5-12(27)28/h1-4,7,11,21H,5-6H2,(H,24,29)(H,27,28)(H,30,31)(H4,19,20,22,25,26)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N	ODLOSKQDGGOAJH-UHFFFAOYSA-N
DG50446	Forskolin	47936	"forskolin; Colforsin; 66575-29-9; Coleonol; colforsina; colforsine; colforsinum; Boforsin; Coleonolk; UNII-1F7A44V6OU; HL 362; 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate; L 75 1362B; C22H34O7; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate; CHEMBL52606; 1F7A44V6OU; CHEBI:42471; HL-362; MFCD00082317; NSC375489; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; 66428-89-5; NCGC00024996-02; L-751362B; DSSTox_CID_20484; DSSTox_RID_79500; DSSTox_GSID_40484; 1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-; Colforsine [French]; Colforsinum [Latin]; Colforsina [Spanish]; ForsLean; Colforsin [USAN:INN]; 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-; FOK; SMR000471881; CAS-66575-29-9; EINECS 266-410-9; NSC 357088; NSC 375489; Ocufors; Timsaponin-C; NSC-357088; NSC-375489; Forskolin- Bio-X; Forskolin - 10%; Forskolin - 20%; Forskolin - 40%; Forskolin 20.0%; Colforsin (USAN/INN); forskolin/ rolipram mixture; MolMap_000021; 7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one; SCHEMBL4928; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho(2,1-b)pyran-1-one 5-acetate; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-; cid_47936; MLS001066384; MLS001333255; MLS001333256; MLS002172462; MLS002695942; Forskolin, analytical standard; Forskohlii Root Extract (ForsLean)(20% forskohlin); REGID_for_CID_47936; GTPL5190; DTXSID8040484; BCBcMAP01_000132; OHCQJHSOBUTRHG-KGGHGJDLSA-; AOB6380; Bio1_000443; Bio1_000932; Bio1_001421; HMS2235C17; HMS3267I16; HMS3412G19; HMS3676G19; ZINC3977779; Tox21_110940; Tox21_302399; BDBM50010261; s2449; AKOS024456384; Tox21_110940_1; ACN-035218; AM81249; CCG-268774; CS-1454; DB02587; LMPR0104030004; SMP1_000128; NCGC00024996-03; NCGC00024996-04; NCGC00024996-05; NCGC00024996-06; NCGC00024996-07; NCGC00024996-34; NCGC00177971-03; NCGC00255526-01; 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-; 5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one; AC-33150; AS-17443; BF164487; HY-15371; XF165210; XF165211; XF165212; F0855; L-75-1362B; M-410; V0151; Y0448; C09076; D03584; MLS-0318096.0001; A850885; Q412747; SR-01000597378; Forskolin, For use in molecular biology applications; Q-200888; SR-01000597378-1; BRD-K09602097-001-04-5; Forskolin, from Coleus forskohlii, >=98% (HPLC), powder; Forskolin, United States Pharmacopeia (USP) Reference Standard; (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate; [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; [3R-(3<alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha)]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3 ,4a ,5 ,6 ,6a ,10 ,10a ,10b )]-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one; [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375489	.	.	.	.	410.5	C22H34O7	113	747	1	29	3	7	3	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O	OHCQJHSOBUTRHG-KGGHGJDLSA-N
DG50447	Dioxadet	48858	"Dioxadet; UNII-3NE0TV9SZS; 3NE0TV9SZS; 67026-12-4; 2,2-Dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol; NSC275656; s-Triazine, 4,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-; NSC 275656; BRN 0577461; 5-equatorial-((4,6-Bis(1-aziridinyl)-s-triazin-2-yl)amino)-2,2-dimethyl-m-dioxane-5-methanol; SCHEMBL9452629; CHEMBL2003457; DTXSID30217245; ZINC1562567; NSC-275656; [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-1,3-dioxan-5-yl]methanol; m-Dioxane-5-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2,2-dimethyl; NCI60_002242; 2,6-diaziridinyl-2-s-triazinylamino)-m-dioxane-5-methanol; 1, 5-[[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2,2-dimethyl-; m-Dioxane-5-methanol,2-dimethyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-; WLN: T6O COTJ B1 B1 E1Q EM- BT6N CN ENJ D- AT3NTJ& F- AT3NTJ; 2,4-bis-(aziridinyl)-6-(2,2-dimethyl-5-oxymethyl-1,3-dioxan-5-yl)amino-1,3,5-triazine; m-Dioxane-5-methanol, 2,2-dimethyl-5-(4,6-diaziridinyl-2-S-triazinylamino)-; s-Triazine,6-diaziridinyl-2-(2,2-dimethyl-5-hydroxymethyl-m-dioxan-5-ylamino)-; (5-((4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2,2-dimethyl-1,3-dioxan-5-yl)methanol; 1,3-Dioxane-5-methanol, 5-{[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]amino}-2,2-dimethyl-; 2,4-bis(1-aziridinyl)-6-(2,2-dimethyl-5-hydroxymethyl-1,3-dioxan-5-yl)amino-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275656	.	.	.	.	322.36	C14H22N6O3	95.4	412	0.1	23	2	9	5	"InChI=1S/C14H22N6O3/c1-13(2)22-8-14(7-21,9-23-13)18-10-15-11(19-3-4-19)17-12(16-10)20-5-6-20/h21H,3-9H2,1-2H3,(H,15,16,17,18)"	CC1(OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4)C	QKBGEGKCGLXDSG-UHFFFAOYSA-N
DG50448	"1,1,2,2-Cyclohex-4-enetetracarbonitrile, 4,5-dimethyl-"	50316	"NSC659167; 1,1,2,2-CYCLOHEX-4-ENETETRACARBONITRILE, 4,5-DIMETHYL-; 69155-29-9; 4,5-Dimethyl-4-cyclohexene-1,1,2,2-tetracarbonitrile; BRN 2618867; 1,2-Dimethyl-4,4,5,5-cyclohex-1-enetetracarbonitrile; 4,5-Dimethyl-1,1,2,2-cyclohex-4-enetetracarbonitrile; 4,5-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile; 4-09-00-03795 (Beilstein Handbook Reference); CHEMBL1990976; DTXSID70219208; ZINC5457044; NSC-659167; NCI60_020833; 4,5-Dimethyl-4-cyclohexen-1,1,2,2-tetracarbonitril"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659167	.	.	.	.	210.23	C12H10N4	95.2	473	0.2	16	0	4	0	"InChI=1S/C12H10N4/c1-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)2/h3-4H2,1-2H3"	CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)C	CKESBCLFVFLERD-UHFFFAOYSA-N
DG50449	"2-Nitronaphtho(2,1-b)furan"	50354	"2-Nitronaphtho(2,1-b)furan; 69267-51-2; CHEMBL7174; NAPHTHO(2,1-b)FURAN, 2-NITRO-; 2-nitronaphtho[2,1-b]furan; R-6597; Naphtho[2,1-b]furan, 2-nitro-; NSC 329124; BRN 1376274; R6597; R 6597; 2-nitronaphthofuran; NSC329124; 5-17-02-00234 (Beilstein Handbook Reference); 2-Nitro-naphtho[2,1-b]furan; SCHEMBL11095673; DTXSID00219332; ZINC1574573; BDBM50304340; NSC-329124"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329124	.	.	.	.	213.19	C12H7NO3	59	289	3.7	16	0	3	0	InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H	C1=CC=C2C(=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]	HXRMBVOCHDEAQH-UHFFFAOYSA-N
DG50450	Amonafide	50515	"Amonafide; 69408-81-7; Nafidimide; Quinamed; Benzisoquinolinedione; Xanafide; 5-Aminomitonafide; NSC-308847; AS1413; M-FA 142; FA 142; NSC308847; UNII-1Q8D39N37L; 3-Amino-N-(2-(dimethylamino)ethyl)naphthalimide; AS-1413; MLS000757039; CHEMBL428676; 1Q8D39N37L; 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione; Amonifide; NAPHTHALIMIDE, 3-AMINO-N-(2-(DIMETHYLAMINO)ETHYL)-; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(dimethylamino)ethyl)-; 5-amino-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; Amonafidum [Latin]; Amonafida [Spanish]; Amonafidum; Amonafida; SMR000528907; Amonafide [USAN:INN]; AS-1413(Amonafide); NSC 308847; BRN 5344673; Amonofide; 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione; Amonafide-[d6]; M-FA-142; Amonafide (USAN); BIDA; 3-Amino-N-(2-(dimethylamino)ethyl)-1,8-naphthalindicarboximid; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(dimethylamino)ethyl-; NCIMech_000383; SCHEMBL27226; MLS006010419; MLS006011267; CHEBI:94661; CGX-571; DTXSID30219562; HMS3654H19; 5-amino-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione; ZINC4214836; BDBM50033894; CCG-35694; NSC758251; s1367; AKOS015850731; BCP9000321; CS-0496; DB05022; NCI-308847; NSC-758251; NSC308847,AS1413; NCGC00346513-01; AC-22581; AS-56124; HY-10982; K157; NCI60_002643; FT-0662118; SW219946-1; A24926; D10090; 408A817; Q4747531; BRD-K56334280-001-02-8; BRD-K56334280-001-03-6; 1H-Benz[de]isoquinoline-1, 5-amino-2-[2-(dimethylamino)ethyl]-; 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione; 1H-Benz[de]isoquinoline-1,3(2H)-dione,5-amino-2-[2-(dimethylamino)ethyl]-; 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione (amonafide); 5-Amino-2-(2-dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione(Amonafide); 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benz[de]isoquinoline-1,3(2H)-dione;Amonafide.; 5-Amino-2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione #; AMONAFIDEDIHYDROCHLORIDE,1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE,5-AMINO-2-[2-(DIMETHYLAMINO)ETHYL]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308847	.	.	.	.	283.32	C16H17N3O2	66.6	437	1.5	21	1	4	3	"InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3"	CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N	UPALIKSFLSVKIS-UHFFFAOYSA-N
DG50451	8-Fluorobenzo[a]pyrene	51254	"8-fluorobenzo[a]pyrene; 8-Fluorobenzo(a)pyrene; 71171-92-1; BRN 1980312; BENZO(a)PYRENE, 8-FLUORO-; NSC623137; CHEMBL1991507; DTXSID20221356; ZINC1617183; NSC-623137; NCI60_006901"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623137	.	.	.	.	270.3	C20H11F	0	405	6.4	21	0	1	0	InChI=1S/C20H11F/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11H	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5)F)C=C2	NGTRARPAYZCLIC-UHFFFAOYSA-N
DG50452	10-Fluorobenzo(a)pyrene	52859	"10-Fluorobenzo(a)pyrene; 10-fluorobenzo[a]pyrene; 74018-58-9; BRN 2380822; BENZO(a)PYRENE, 10-FLUORO-; CHEMBL1982126; DTXSID90224819; ZINC1617184; NSC623138; NSC-623138; NCI60_006902"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623138	.	.	.	.	270.3	C20H11F	0	405	6.4	21	0	1	0	InChI=1S/C20H11F/c21-17-6-2-5-14-11-15-8-7-12-3-1-4-13-9-10-16(19(14)17)20(15)18(12)13/h1-11H	C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5F	HAWXDOMASFLWHU-UHFFFAOYSA-N
DG50454	Chaetochromin	53277	"Chaetochromin; Chaetochromin A; NSC345647; Isochaetochromin B1; Chaetochromin B; MLS000563176; MLS000756886; CHEMBL162783; 75514-37-3; SMR000470847; 109008-25-5; 5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one; UNII-LU0I4X77BN; LU0I4X77BN; [9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-; cid_53277; SCHEMBL14259468; DTXSID10910964; HMS2270N07; BDBM50124967; NSC-345647; NCGC00246799-01; NCGC00246799-02; NCI60_003071; SR-01000759871; SR-01000759871-3; [9,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-; 5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2,2',3,3'-tetrahydro-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione; 5,5',6,6',8,8'-Hexahydroxy-2,2',3,3'-tetramethyl-2H,2'H-[9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dione; 5,6,8,5'',6'',8''-Hexahydroxy-2,3,2'',3''-tetramethyl-2,3,2'',3''-tetrahydro-[9,9'']bi[benzo[g]chromenyl]-4,4''-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345647	.	.	.	.	546.5	C30H26O10	174	927	5.9	40	6	10	1	"InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3"	CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C	RHNVLFNWDGWACV-UHFFFAOYSA-N
DG50455	"2-Nitro-7-methoxynaphtho[2,1-b]furan"	53424	"2-Nitro-7-methoxynaphtho[2,1-b]furan; 75965-74-1; 7-methoxy-2-nitrobenzo[e][1]benzofuran; 2-nitro-7-methoxynaphtho(2-1b)furan; 7-Methoxy-2-nitronaphtho(2,1-b)furan; R 7000; 2-Nitro-7-methoxynaphtho(2,1-b)furan; CHEMBL7645; 7-methoxy-2-nitronaphtho[2,1-b]furan; CCRIS 4520; NSC 329223; BRN 5749492; R7000; NAPHTHO(2,1-b)FURAN, 7-METHOXY-2-NITRO-; SCHEMBL11229865; DTXSID80226862; Naphtho[2, 7-methoxy-2-nitro-; ZINC1574599; BDBM50304341; NSC329223; NSC-329223; 7-Methoxy-2-nitro-naphtho[2,1-b]furan; DS-009232; 2-Nitro-7-methoxynaphtho[2,1-b]furan, BCR(R) certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329223	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3"	COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-]	BRRIJZQYTOFDAF-UHFFFAOYSA-N
DG50456	"2-Nitro-8-methoxynaphtho(2,1-b)furan"	53425	"2-Nitro-8-methoxynaphtho(2,1-b)furan; 75965-75-2; 8-Methoxy-2-nitronaphtho(2,1-b)furan; CHEMBL269488; 8-methoxy-2-nitronaphtho[2,1-b]furan; NSC 329225; BRN 5058215; 2-Nitro-8-methoxy-naphtho(2,1-b)furan; R 6998; NAPHTHO(2,1-b)FURAN, 8-METHOXY-2-NITRO-; SCHEMBL11247108; DTXSID40226863; Naphtho[2, 8-methoxy-2-nitro-; ZINC1574601; BDBM50304339; NSC329225; NSC-329225; 8-Methoxy-2-nitro-naphtho[2,1-b]furan; R6998"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329225	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-9-4-2-8-3-5-12-11(10(8)6-9)7-13(18-12)14(15)16/h2-7H,1H3"	COC1=CC2=C(C=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]	GUDGYQZVOAXJLS-UHFFFAOYSA-N
DG50457	"2-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthylamino)-2-oxazoline"	53736	"NSC664190; 77733-18-7; SCHEMBL7047650; CHEMBL2002662; DTXSID80998936; ZINC1639156; 2-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthylamino)-2-oxazoline; 5,6,7,8-Tetrahydro-3,4-dimethyl-N-(2-oxazolin-2-yl)-1-naphthylamine; NSC-664190; 1-NAPHTHYLAMINE, 5,6,7,8-TETRAHYDRO-3,4-DIMETHYL-N-(2-OXZAZOLIN-2-YL)-; N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine; NCI60_022089; N-(7,8-dimethyltetralin-5-yl)-4,5-dihydrooxazol-2-amine; N-(3,4-Dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)-4,5-dihydro-1,3-oxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(3,4-dimethyl-5,6,7,8-tetrahydro-1-naphthalenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664190	.	.	.	.	244.33	C15H20N2O	33.6	329	3.3	18	1	2	2	"InChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h9H,3-8H2,1-2H3,(H,16,17)"	CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3	GTUOHYYXUFZLSU-UHFFFAOYSA-N
DG50458	Piritrexim isethionate	54368	"PIRITREXIM ISETHIONATE; BW 301U isethionate; UNII-V77I71FH72; Piritrexim isethionate [USAN]; 79483-69-5; MLS002701843; V77I71FH72; NSC-351521; Piritrexim isethionate (USAN); 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid; NSC351521; DRG-0037; Piritrexim isetionate; 2,4-Diamino-6-(2,5-dimethoxybenzyl)-5-methylpyrido(2,3-d)pyrimidine mono(2-hydroxyethanesulfonate); SCHEMBL135624; CHEMBL1712863; DTXSID101000531; NSC 351521; NCI60_003141; Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl-, mono(2-hydroxyethanesulfonate); SMR001565435; D05500; Q27291624; 2-Hydroxyethane-1-sulfonic acid--6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-diimine (1/1); Ethanesulfonic acid, compd. with 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d] pyrimidine-2,4-diamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351521	.	.	.	.	451.5	C19H25N5O6S	192	530	.	31	4	11	6	"InChI=1S/C17H19N5O2.C2H6O4S/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;3-1-2-7(4,5)6/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);3H,1-2H2,(H,4,5,6)"	CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N.C(CS(=O)(=O)O)O	IOEMETRLOWNXGW-UHFFFAOYSA-N
DG50460	Benflurone	54569	"Benflurone; Benfluron; UNII-634618HQ65; Vufb-13468; 78250-23-4; 5-(2-dimethylaminoethyloxy)benzo[c]fluoren-7-one; 634618HQ65; 5-[2-(dimethylamino)ethoxy]benzo[c]fluoren-7-one; Vufb 13468; 5-(2-Dimethylaminoethoxy)-7-oxo-7H-benzo(c)fluorene; SCHEMBL93794; ZINC1001; CHEMBL1996003; 7H-Benzo(c)fluoren-7-one, 5-(2-(dimethylamino)ethoxy)-; DTXSID90228918; NSC625255; AKOS024345573; MCULE-2905465063; NSC-625255; NCI60_007789; Q27263568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625255	.	.	.	.	317.4	C21H19NO2	29.5	463	4.3	24	0	3	4	"InChI=1S/C21H19NO2/c1-22(2)11-12-24-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3"	CN(C)CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O	IALAUUKEGMAATC-UHFFFAOYSA-N
DG50461	Edatrexate	54586	"EDATREXATE; 80576-83-6; 10-EdAM; CHEMBL9798; 2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid; CGP 30694;NSC 626715; NSC-626715; SCHEMBL1650127; 10-Ethyl-10-dezaz-aminopterin; BDBM50004544; NSC626715; NCI60_008442; 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid; 2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM); N-[4-[1-[(2,4-Diamino-6-pteridinyl)-methyl]propyl]benzoyl]-L-glutamic acid; 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O); 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA); 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626715	.	.	.	.	467.5	C22H25N7O5	207	718	-0.4	34	5	11	10	"InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)"	CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	FSIRXIHZBIXHKT-UHFFFAOYSA-N
DG50462	Caracemide	54747	"Caracemide; 81424-67-1; NSC-253272; N-(Methylcarbamoyl)-N-((methylcarbamoyl)oxy)acetamide; UNII-H74F6J185A; N-Acetyl-N,O-bis(methylcarbamoyl)hydroxylamine; N-((Methylamino)carbonyl)-N-(((methylamino)carbonyl)oxy)acetamide; H74F6J185A; NSC253272; N-(METHYLCARBAMOYL)ACETAMIDO N-METHYLCARBAMATE; Caracemidum [Latin]; Caracemida [Spanish]; Caracemida; Caracemidum; Acetamide, N-[(methylamino)carbonyl]-N-[[(methylamino)carbonyl]oxy]-; Caracemide [USAN:INN]; ACETAMIDE, N-((METHYLAMINO)CARBONYL)-N-(((METHYLAMINO)CARBONYL)OXY)-; CCRIS 1729; NSC 253272; BRN 5935912; N-Acetyl-N-(methylcarbamoyloxy)-N'-methylurea; N-(Methylcarbamoyl)-N-(methylcarbamoyloxy)acetamid; Caracemide (USAN); NCIMech_000225; SCHEMBL3812; [acetyl(methylcarbamoyl)amino] N-methylcarbamate; CHEMBL9116; DTXSID00231099; ZINC1557006; Acetamide, N-((methylamino)carbonyl)-N-((methylamino)carbonyl)oxy)-; Acetamide, N-((methylamino)carbonyl)-N-((methylamino)carbonyl)oxy-; CCG-35357; AKOS006274247; NCI60_002035; DS-006307; HY-119974; CS-0078854; D03378; Q27279722; Z2327673243; Acetamide,n-[(methylamino)carbonyl]-n-[[(methylamino)carbonyl]oxy]-; 1-([(Methylamino)carbonyl]([(methylamino)carbonyl]oxy)amino)-1-oxoethane #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	253272	.	.	.	.	189.17	C6H11N3O4	87.7	228	-0.2	13	2	4	2	"InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)"	CC(=O)N(C(=O)NC)OC(=O)NC	JURAJLFHWXNPHG-UHFFFAOYSA-N
DG50463	"Carbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl ester"	54888	"NSC 330770; NSC330770; 82585-91-9; UNII-3O08W2P62U; MLS002701819; 3O08W2P62U; NSC-330770; NCIMech_000617; BRN 4207077; (5-Amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, carbamic acid, ethyl ester; CHEMBL65190; SCHEMBL10788748; DTXSID80231890; ZINC5650614; CCG-35590; ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate; Carbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl ester; NCI60_002896; SMR001565412; (5-AMINO-1,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER; Carbamic acid,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester; Carbamic acid,5-amino-1,2-dihydro-3-phenylpyrido[3,4- b]pyrazin-7-yl-,ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330770	.	.	.	.	311.34	C16H17N5O2	102	450	2	23	3	6	4	"InChI=1S/C16H17N5O2/c1-2-23-16(22)21-13-8-11-14(15(17)20-13)19-12(9-18-11)10-6-4-3-5-7-10/h3-8,18H,2,9H2,1H3,(H3,17,20,21,22)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=CC=C3)N	RLHKYVHZNZMLRH-UHFFFAOYSA-N
DG50464	"Indol-6-OL, 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-"	54995	"83364-03-8; D 15413; UNII-DE44SE4G4T; DE44SE4G4T; 4-Chloro-2-(3,5-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol; D-15413; INDOL-6-OL, 4-CHLORO-2-(2,6-DICHLORO-4-HYDROXYPHENYL)-1-ETHYL-; NSC-370875; NSC 370875; BRN 5613402; 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethylindol-6-ol; CHEMBL15769; SCHEMBL10797858; DTXSID60232300; ZINC1587442; NSC370875; 4-chloro-2-(2,6-dichloro-4-hydroxyphenyl)-1-ethyl-6-hydroxyindole; 4-chloro-2-(2,6-dichloro-4-hydroxy-phenyl)-1-ethyl-6-hydroxyindole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370875	.	.	.	.	356.6	C16H12Cl3NO2	45.4	388	5.1	22	2	2	2	"InChI=1S/C16H12Cl3NO2/c1-2-20-14-6-9(22)3-11(17)10(14)7-15(20)16-12(18)4-8(21)5-13(16)19/h3-7,21-22H,2H2,1H3"	CCN1C(=CC2=C1C=C(C=C2Cl)O)C3=C(C=C(C=C3Cl)O)Cl	ZATDYQOGSPTLBG-UHFFFAOYSA-N
DG50465	Ilmofosine	55008	"ILMOFOSINE; 83519-04-4; Thio ALP; BM 41.440; [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate; NCGC00165808-01; BM-41440; 1-Hexadecylmercapto-2-methoxymethyl-3-propyl phosphoric acid monocholine ester; Ilmofosinum [Latin]; Ilmofosina [Spanish]; Ilmofosina; Ilmofosinum; Ilmofosine [USAN:INN]; SH-MM-lysolecithin; (+-)-Ilmofosine; BRN 4767637; Limofosine; 1-Hexadecylthio-2-methoxymethyl-rac-glycero-3-phosphocholine; BM 41440; Ilmofosine (USAN/INN); DSSTox_CID_28934; DSSTox_RID_83200; DSSTox_GSID_49008; SCHEMBL48829; CHEMBL28930; DTXSID2049008; Tox21_113506; MFCD00869023; NSC601679; NSC-601679; 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-; 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-,hydroxide, inner salt, 4-oxide; BM-41.440; CAS-83519-04-4; D04504; Ilmofosine, >=97% (NMR), semisolid (waxy); Q27263125; 3-(Hexadecylthio)-2-(methoxymethyl)propyl (2-(trimethylammonio)ethyl) phosphate; 3-(hexadecylthio)-2-(methoxymethyl)propyl 2-(trimethylammonio)ethyl phosphate; 4-Oxylato-7-(methoxymethyl)-N,N,N-trimethyl-3,5-dioxa-9-thia-4-phospha(V)pentacosan-1-aminium4-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601679	.	.	.	.	525.8	C26H56NO5PS	93.1	482	7.5	34	0	6	26	"InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3"	CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C	ODEDPKNSRBCSDO-UHFFFAOYSA-N
DG50466	"Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, ethyl ester"	55294	"NSC623753; 84761-93-3; CHEMBL2002784; ACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTER; Ethyl ((6-methyl-1,3-benzothiazol-2-yl)amino)(oxo)acetate; ethyl [(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetate; Benzothiazolyl-2-oxaminic acid, 6-methyl-, ethyl ester; ((6-Methyl-2-benzothiazolyl)amino)oxoacetic acid ethyl ester; ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetate; DTXSID20233797; ZINC1617384; BDBM50385306; STK021220; AKOS000648311; MCULE-5425860755; NSC-623753; NCI60_007068; ethyl 2-(6-methylbenzo[d]thiazol-2-ylamino)-2-oxoacetate; ethyl 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623753	.	.	.	.	264.3	C12H12N2O3S	96.5	337	2.9	18	1	5	4	"InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)"	CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C	FEDKXZRSVIBYDP-UHFFFAOYSA-N
DG50467	Gusperimus	55362	"Gusperimus; 15-deoxyspergualin; Deoxyspergualin; 98629-43-7; 104317-84-2; Gusperimus [INN]; Gusperimus (INN); Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-; N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide; NSC356894; (+/-)-15-Deoxyspergualin; (+/-)-Deoxyspergualin;; BMS 181173; NCGC00183869-01; (+-)-15-Deoxyspergualin; SCHEMBL28026; CHEMBL406117; DTXSID60861078; CHEBI:135609; DB12692; NCI60_003229; DB-040531; FT-0631032; FT-0776026; D08032; Q10910504; N-(2-((4-((3-Aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-7-guanidinoheptanamide; N-(2-(4-(3-aminopropylamino)butylamino)-1-hydroxy-2-oxoethyl)-7-guanidinoheptanamide; N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxo-ethyl]-7-guanidino-heptanamide; N-[4-(3-aminopropyl)aminobutyl]-2-(7-guanidinoheptanamido)-2-hydroxyethanamide; N-[Hydroxy[[4-(3-aminopropylamino)butyl]carbamoyl]methyl]-7-guanidinoheptanamide; 7-([Amino(imino)methyl]amino)-N-[2-((4-[(3-aminopropyl)amino]butyl)amino)-1-hydroxy-2-oxoethyl]heptanamide #; Heptanamide, 7-(aminoiminomethyl)amino-N-2-[4-(3-aminopropylamino-butyl)amino)]-1-hydroxy-2-oxoethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356894	.	.	.	.	387.5	C17H37N7O3	181	429	-2	27	7	6	17	"InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)"	C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O	IDINUJSAMVOPCM-UHFFFAOYSA-N
DG50468	"ethyl N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate"	55498	"NSC355637; MLS002702889; COLCHICINE, N-CARBETHOXY-DEACETYL; CHEMBL277648; N-Deacetyl-N-ethoxycarbonylcolchicine; NSC-355637; ethyl N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate; N-(ETHOXYCABONYL)DEACETYLCOLCHICINE; NCI60_003206; SMR001566707; SR-01000880049; SR-01000880049-2; Ethyl 1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate #; Carbamic acid, (5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, ethyl ester; Carbamic acid,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, ethyl ester, (S)-; Carbamic acid,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355637	.	.	.	.	429.5	C23H27NO7	92.3	772	1.8	31	1	7	7	"InChI=1S/C23H27NO7/c1-6-31-23(26)24-16-9-7-13-11-19(28-3)21(29-4)22(30-5)20(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)"	CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	NLHICQCHEWUHCR-UHFFFAOYSA-N
DG50469	"NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-"	55508	"NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-; 1-Methyl-2-nitronaphtho(2,1-b)furan; CHEMBL6980; 86539-67-5; 1-methyl-2-nitronaphtho[2,1-b]furan; R 7371; NSC 373980; BRN 5037897; SCHEMBL16001172; DTXSID50235648; ZINC1589242; BDBM50304338; NSC373980; NSC-373980; 1-Methyl-2-nitro-naphtho[2,1-b]furan; NCI60_003503"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373980	.	.	.	.	227.21	C13H9NO3	59	314	4.1	17	0	3	0	"InChI=1S/C13H9NO3/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)17-13(8)14(15)16/h2-7H,1H3"	CC1=C(OC2=C1C3=CC=CC=C3C=C2)[N+](=O)[O-]	CVUUOLKFENQCEZ-UHFFFAOYSA-N
DG50470	Dezaguanine	55710	"Dezaguanine; 3-Deazaguanine; 41729-52-6; ICN 4221; UNII-9DRB973HUI; NSC-261726; 6-Amino-1,5-dihydro-4H-imidazo(4,5-c)pyridin-4-one; 4H-Imidazo(4,5-c)pyridin-4-one, 6-amino-1,5-dihydro-; CI-908; NSC261726; 9DRB973HUI; CHEMBL31882; 6-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one; 6-Amino-1,5-dihydro-imidazo[4,5-c]pyridin-4-one; Dezaguaninum [Latin]; Dezaguanina [Spanish]; Dezaguanina; Dezaguaninum; 41729-52-6(Dezaguanine); 87434-82-0 (Dezaguanine mesylate); Dezaguanine [USAN:INN]; CI 908; NSC 261726; BRN 0608942; 6-Aminoimidazo(4,5-c)pyridin-4(5H)-one; Dezaguanine (USAN/INN); NCIMech_000664; SCHEMBL4184; 3-DG; DTXSID10194525; BDBM50022256; CCG-35869; CI-809; ZINC17061339; AKOS006274250; NCI60_002090; PD-9069573; D03754; 6-amino-1H,4H,5H-imidazo[4,5-c]pyridin-4-one; 6-Amino-3,5-dihydro-imidazo[4,5-c]pyridin-4-one; Q27272408; 4h-imidazo[4,5-c]pyridin-4-one,6-amino-3,5-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	261726	.	.	.	.	150.14	C6H6N4O	83.8	225	-0.6	11	3	3	0	"InChI=1S/C6H6N4O/c7-4-1-3-5(6(11)10-4)9-2-8-3/h1-2H,(H,8,9)(H3,7,10,11)"	C1=C(NC(=O)C2=C1NC=N2)N	KXBCLNRMQPRVTP-UHFFFAOYSA-N
DG50471	Mitoflaxone	55748	"Mitoflaxone; Flavone acetic acid; 87626-55-9; LM-975; NSC-347512; NSC 347512; 4H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-; UNII-X230G6E63B; 2-Phenyl-8-(carboxymethyl)-benzopyran-4-one; 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid; NSC347512; flavone-8-acetic acid; MLS003171055; X230G6E63B; 2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid; Mitoflaxone [INN]; Mitoflaxona; Mitoflaxonum; Mitoflaxonum [INN-Latin]; Mitoflaxona [INN-Spanish]; BRN 4260339; Flavoneacetic acid; Flavone-8- acetic acid; 2-(4-oxo-2-phenylchromen-8-yl)acetic acid; NCIStruc1_000708; NCIStruc2_000951; SCHEMBL106705; CHEMBL443793; ZINC1453; DTXSID50236534; CCG-36701; CRC-85/31; NCGC00014797; NCI347512; NCGC00014797-02; NCGC00097898-01; NCI60_003088; SMR001874964; (4-Oxo-2-phenyl-4H-chromen-8-yl)acetic acid; (4-Oxo-2-phenyl-4H-chromen-8-yl)acetic acid #; Q27293356"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	347512	.	.	.	.	280.27	C17H12O4	63.6	448	3	21	1	4	3	"InChI=1S/C17H12O4/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17/h1-8,10H,9H2,(H,19,20)"	C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O	TZZNWMJZDWYJAZ-UHFFFAOYSA-N
DG50472	"3H-1,2-Dithiole, 3,3,4,5-tetrachloro-"	55894	"3,3,4,5-Tetrachloro-3H-1,2-dithiole; 88917-02-6; NSC135975; 3H-1,2-DITHIOLE, 3,3,4,5-TETRACHLORO-; 3,3,4,5-tetrachlorodithiole; 3,3,4,5-Tetrachloro-1,2-dithiole; NSC 135975; BRN 1343183; 3H-1, tetrachloro-; CHEMBL2001650; DTXSID30237423; ZINC1722339; NSC-135975; 3,3,4,5-Tetrachloro-3H-1,2-dithiol; NCI60_000811"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135975	.	.	.	.	242	C3Cl4S2	50.6	163	3.3	9	0	2	0	"InChI=1S/C3Cl4S2/c4-1-2(5)8-9-3(1,6)7"	C1(=C(SSC1(Cl)Cl)Cl)Cl	YXMZIQBPZNCGMY-UHFFFAOYSA-N
DG50473	"NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-"	56909	"R 7516; UNII-WQG46C95NP; NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-; 2-Nitronaphtho(2,1-b)furan-1-ethanol; CHEMBL7135; WQG46C95NP; MLS002701875; 95455-02-0; 2-Nitronaphtho[2,1-b]furan-1-ethanol; NSC 373981; BRN 5579062; 1-(Hydroxyethyl)-2-nitronaphtho(2,1-b)furan; Naphtho[2, 2-nitro-; 2-(2-nitronaphtho[2,1-b]furan-1-yl)ethanol; SCHEMBL16001174; DTXSID00241850; ZINC1589243; BDBM50304337; NSC373981; NSC-373981; NCI60_003504; SMR001565465; 2-(2-Nitro-naphtho[2,1-b]furan-1-yl)-ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373981	.	.	.	.	257.24	C14H11NO4	79.2	343	3.3	19	1	4	2	"InChI=1S/C14H11NO4/c16-8-7-11-13-10-4-2-1-3-9(10)5-6-12(13)19-14(11)15(17)18/h1-6,16H,7-8H2"	C1=CC=C2C(=C1)C=CC3=C2C(=C(O3)[N+](=O)[O-])CCO	DMTZMRKTFPMXSU-UHFFFAOYSA-N
DG50474	Brequinar	57030	"Brequinar; 96187-53-0; 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; brequinarum; Biphenquinate; 6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid; NSC 368390; UNII-5XL19F49H6; 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid; NSC-368390; DUP785; 5XL19F49H6; Bipenquinate; NSC368390; brequinarum [Latin]; 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid; 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID; Brequinar [INN]; Brequinarum [INN-Latin]; 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-; 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-; C23H15F2NO2; 6-fluoro-2-{2'-fluoro-[1,1'-biphenyl]-4-yl}-3-methylquinoline-4-carboxylic acid; Neuro_000208; SCHEMBL49400; CHEMBL38434; DUP785; Biphenquinate; BPQ; GTPL7406; BDBM15339; DTXSID00242165; TQR0591; CHEBI:177387; HMS3749M07; AMY36630; BCP06006; EX-A1515; ZINC1587011; MFCD00866437; s6626; AKOS016001465; CS-7842; DB03523; 4-Quinolinecarboxylic acid,6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4- yl)-3-methyl-; NCGC00480786-05; DS-15411; NCI60_003391; DB-080409; HY-108325; FT-0757290; X5917; C77324; A847266; J-515994; BPQ; Biphenquinate; DUP 785; DUP785; DUP-785; Q27075486; Z2465619914; 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 2-(2'-Fluoro-1,1'-biphenyl-4-yl)-6-fluoro-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro-[11'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 6-fluoro-2-(2'-fluoro-1,1 '-biphe-nyl-4-yl)-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid; 6-Fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid #; 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid; 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid, (*Sodium sal*)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368390	.	.	.	.	375.4	C23H15F2NO2	50.2	551	5.6	28	1	5	3	"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)"	CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O	PHEZJEYUWHETKO-UHFFFAOYSA-N
DG50475	"Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester"	57162	"N-(Butoxycarbonyl)deacetylthiocolchicine; Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester; 97043-04-4; NSC372486; MLS002702893; BRN 5659556; CHEMBL1731371; DTXSID30914202; butyl N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate; SMR001566711; N-Desacetyl-N-(butoxycarbonyl)thiocolchicine; Thiocolchicine, N-deacetyl-n-butoxycarbonyl-; Butyl 1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate #; Butyl 1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylcarbamate; Butyl hydrogen [1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbonimidate; Carbamic acid, [(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, butyl ester; Carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, butyl ester, (S)-; Carbamic acid, {[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} butyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372486	.	.	.	.	473.6	C25H31NO6S	108	807	3.4	33	1	7	9	"InChI=1S/C25H31NO6S/c1-6-7-12-32-25(28)26-18-10-8-15-13-20(29-2)23(30-3)24(31-4)22(15)16-9-11-21(33-5)19(27)14-17(16)18/h9,11,13-14,18H,6-8,10,12H2,1-5H3,(H,26,28)"	CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	BJAJYTAHDSJTTM-UHFFFAOYSA-N
DG50477	Cyclodisone	57513	"Cyclodisone; 99591-73-8; NSC-348948; 1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide; 1,5,2,4-Dioxadithiepane, 2,2,4,4-tetraoxide; UNII-7YFV4WN79I; 7YFV4WN79I; Cyclic-soso; 1,5,2,4-DIOXADITHIEPANE-2,2,4,4-TETRAOXIDE; NSC 348948; ethylene methanedisulfonate; SCHEMBL576075; CHEMBL1994476; DTXSID80244147; NSC348948; ZINC14089106; NCI60_003099; 1,5,2  ,4  -DIOXADITHIEPANE-2,2,4,4-TETRONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348948	.	.	.	.	202.2	C3H6O6S2	104	278	-1.1	11	0	6	0	"InChI=1S/C3H6O6S2/c4-10(5)3-11(6,7)9-2-1-8-10/h1-3H2"	C1COS(=O)(=O)CS(=O)(=O)O1	RYIRMSRYCSMGJA-UHFFFAOYSA-N
DG50478	"2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene"	57787	"NSC664951; 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene; 100333-45-7; 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene; BENZO(b)THIOPHENE, 2,4,5,6,7,7a-HEXAHYDRO-2,2,3-TRIFLUORO-7a-METHYL-; CHEMBL2003201; DTXSID10905390; NSC-664951; NCI60_022365; 2,2,3-trifluoro-7a-methyl-4,5,6,7-tetrahydrobenzothiophene; 2,2,3-Trifluoro-2,4,5,6,7,7a-hexahydro-7a-methylbenzo[b]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664951	.	.	.	.	208.25	C9H11F3S	25.3	272	2.7	13	0	4	0	"InChI=1S/C9H11F3S/c1-8-5-3-2-4-6(8)7(10)9(11,12)13-8/h2-5H2,1H3"	CC12CCCCC1=C(C(S2)(F)F)F	XUQQKAFRTLETGP-UHFFFAOYSA-N
DG50479	N-(2-Oxazolyl)-1-naphthylamine	57834	"N-(2-Oxazolyl)-1-naphthylamine; N-naphthalen-1-yl-1,3-oxazol-2-amine; 100381-97-3; 1-NAPHTHYLAMINE, N-(2-OXAZOLYL)-; NSC659237; 2-(1-Naphthylamino)oxazole; BRN 0520285; 2-Oxazolamine, N-1-naphthalenyl-; N-(1-naphthyl)oxazol-2-amine; SCHEMBL6623767; CHEMBL2000874; DTXSID60143240; ZINC1636993; N-(1-Naphthyl)-1,3-oxazol-2-amine; NSC-659237; NCI60_020898; N-(1-Naphthyl)-N-(1,3-oxazol-2-yl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659237	.	.	.	.	210.23	C13H10N2O	38.1	234	3.5	16	1	3	2	"InChI=1S/C13H10N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-9H,(H,14,15)"	C1=CC=C2C(=C1)C=CC=C2NC3=NC=CO3	QPVKBSBPGROOBY-UHFFFAOYSA-N
DG50480	"Carbonic acid, 1-methyl-4-phenyl-4-piperidyl phenyl ester"	58324	"101418-15-9; CARBONIC ACID, 1-METHYL-4-PHENYL-4-PIPERIDYL PHENYL ESTER; NSC665332; (1-methyl-4-phenylpiperidin-4-yl) phenyl carbonate; 4-(1-Methyl-4-phenyl)piperidyl phenyl carbonate; 1-Methyl-4-phenyl-4-piperidinyl phenyl carbonate; (1-methyl-4-phenyl-4-piperidyl) phenyl carbonate; CHEMBL1968616; DTXSID10143917; NSC-665332; NCI60_022542; (1-Methyl-4-phenyl-4-piperidyl)phenyl=carbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665332	.	.	.	.	311.4	C19H21NO3	38.8	378	4	23	0	4	5	"InChI=1S/C19H21NO3/c1-20-14-12-19(13-15-20,16-8-4-2-5-9-16)23-18(21)22-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3"	CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3	JAWVTCCRYNKTAD-UHFFFAOYSA-N
DG50481	"8aH-CYCLOHEPTA(b)THIOPHENE, 2,4,5,6,7,8-HEXAHYDRO-2,2,3-TRIFLUORO-"	58509	"NSC664948; 101564-08-3; 2,2,3-Trifluoro-4,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]thiophene; 2,2,3-Trifluoro-2,4,5,6,7,8-hexahydrocyclohepta(b)thiophene; 2,2,3-trifluoro-4,5,6,7,8,8a-hexahydrocyclohepta[b]thiophene; 8aH-CYCLOHEPTA(b)THIOPHENE, 2,4,5,6,7,8-HEXAHYDRO-2,2,3-TRIFLUORO-; CHEMBL1980017; DTXSID00906316; NSC-664948; NCI60_022362; 2,4,5,6,7,8-Hexahydro-2,2,3-trifluoro-8aH-cyclohepta[b]thiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664948	.	.	.	.	208.25	C9H11F3S	25.3	247	3.1	13	0	4	0	"InChI=1S/C9H11F3S/c10-8-6-4-2-1-3-5-7(6)13-9(8,11)12/h7H,1-5H2"	C1CCC2C(=C(C(S2)(F)F)F)CC1	ZYWBGTOSOLVSIJ-UHFFFAOYSA-N
DG50482	alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester	58826	"101711-17-5; alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester; NSC665329; (1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate; 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate A; 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate B; MANDELIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-3-PYRROLIDINYL ESTER; CHEMBL1995523; 1-Methyl-3-pyrrolidinyl 2-hydroxy-2-phenyl-3-pentynoate; DTXSID10906569; NSC-665329; NCI60_022539; 1-Methylpyrrolidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate; (1-METHYLPYRROLIDIN-3-YL) 2-HYDROXY-2-PHENYL-PENT-3-YNOATE; alpha-(1-Propynyl)-alpha-hydroxybenzeneacetic acid 1-methyl-3-pyrrolidinyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665329	.	.	.	.	273.33	C16H19NO3	49.8	416	2	20	1	4	5	"InChI=1S/C16H19NO3/c1-3-10-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-14/h4-8,14,19H,9,11-12H2,1-2H3"	CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O	MWQQUDKRJVZOJN-UHFFFAOYSA-N
DG50483	"Malononitrile, (2-hydroxy-1-(naphthylmethylene))-"	58850	"NSC663984; MALONONITRILE, (2-HYDROXY-1-(NAPHTHYLMETHYLENE))-; 101756-32-5; (2-Hydroxy-1-(naphthylmethylene))malononitrile; 2-((2-Hydroxy-1-naphthyl)methylene)malononitrile; SCHEMBL5203945; CHEMBL1993884; 2-[(2-hydroxynaphthalen-1-yl)methylidene]propanedinitrile; DTXSID90144164; ZINC1639058; MCK101562; AKOS023197589; MCULE-3641838024; NSC-663984; 2-Hydroxy-1-naphthylmethylenemalononitrile; NCI60_022004; 2-[(2-hydroxy-1-naphthyl)methylene]propanedinitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	663984	.	.	.	.	220.23	C14H8N2O	67.8	390	2.9	17	1	3	1	"InChI=1S/C14H8N2O/c15-8-10(9-16)7-13-12-4-2-1-3-11(12)5-6-14(13)17/h1-7,17H"	C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C#N)O	UCDYXURSVIOOCB-UHFFFAOYSA-N
DG50484	"Aniline, 2,5-dimethoxy-N-(2-oxazolin-2-YL)-"	58910	"NSC664004; ANILINE, 2,5-DIMETHOXY-N-(2-OXAZOLIN-2-YL)-; 101831-53-2; 2-(2,5-Dimethoxyanilino)-2-oxazoline; 5-Methoxy-N-(2-oxazolin-2-yl)-o-anisidine; o-Anisidine, 5-methoxy-N-(2-oxazolin-2-yl)-; CHEMBL1978459; DTXSID30144209; N-(2,5-Dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine; ZINC1639076; NSC-664004; NCI60_022022; N-(2,5-dimethoxyphenyl)-4,5-dihydrooxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(2,5-dimethoxyphenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664004	.	.	.	.	222.24	C11H14N2O3	52.1	258	1.1	16	1	4	4	"InChI=1S/C11H14N2O3/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)"	COC1=CC(=C(C=C1)OC)NC2=NCCO2	QMKKYQIMEGYVDH-UHFFFAOYSA-N
DG50485	"N'-(5,6,7,8-Tetrahydro-1-naphthyl)-N,N,N-trimethylformamidinium iodide"	59031	"N'-(5,6,7,8-Tetrahydro-1-naphthyl)-N,N,N-trimethylformamidinium iodide; FORMAMIDINIUM, N'-(5,6,7,8-TETRAHYDRO-1-NAPHTHYL)-N,N,N-TRIMETHYL-, IODIDE; CHEMBL2006167; NSC665672; NSC-665672; 101832-96-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665672	.	.	.	.	344.23	C14H21IN2	12.4	252	.	17	0	2	2	"InChI=1S/C14H21N2.HI/c1-16(2,3)11-15-14-10-6-8-12-7-4-5-9-13(12)14;/h6,8,10-11H,4-5,7,9H2,1-3H3;1H/q+1;/p-1"	C[N+](C)(C)C=NC1=CC=CC2=C1CCCC2.[I-]	ILRLVDKMRXPQKH-UHFFFAOYSA-M
DG50486	"1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone"	59101	"NSC664313; 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)-4-heptanone; 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one; 101913-89-7; 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-; CHEMBL2001721; DTXSID60906817; NSC-664313; NCI60_022182; 2,6-Bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-3-phenyl-4-heptanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664313	.	.	.	.	466.22	C15H10F12O3	57.5	582	4.4	30	2	15	5	"InChI=1S/C15H10F12O3/c16-12(17,18)10(29,13(19,20)21)6-8(28)9(7-4-2-1-3-5-7)11(30,14(22,23)24)15(25,26)27/h1-5,9,29-30H,6H2"	C1=CC=C(C=C1)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O	ZLNCPJIQFZRCCT-UHFFFAOYSA-N
DG50487	(2-Benzilamidoethyl)diethylmethylammonium iodide	59252	"102214-85-7; (2-Benzilamidoethyl)diethylmethylammonium iodide; (2-(Benziloylamino)ethyl)diethylmethylammonium iodide; AMMONIUM, (2-(BENZILOYLAMINO)ETHYL)DIETHYLMETHYL-, IODIDE; CHEMBL1989520; NSC659154; NSC-659154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659154	.	.	.	.	468.4	C21H29IN2O2	49.3	390	.	26	2	3	8	"InChI=1S/C21H28N2O2.HI/c1-4-23(3,5-2)17-16-22-20(24)21(25,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,25H,4-5,16-17H2,1-3H3;1H"	CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]	XYVZCDXGAKQSIE-UHFFFAOYSA-N
DG50488	"Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-"	59453	"NSC659162; NSC-659162; BENZIMIDAZOLE, 5,5'-DITHIOBIS(2-(TRIFLUOROMETHYL)-; 102516-98-3; 2-(Trifluoromethyl)-6-((2-(trifluoromethyl)-1H-benzimidazol-6-yl)dithio)-1H-benzimidazole; 5,5'-Dithiobis(2-trifluoromethylbenzimidazole); NCIStruc1_001822; NCIStruc2_001973; CHEMBL471005; DTXSID00145248; CCG-37739; NCGC00014968; NCI659162; ZINC36385363; 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazole; NCGC00014968-02; NCGC00098068-01; NCI60_020830; 1H-Benzimidazole,5'-dithiobis[2-(trifluoromethyl)-; 5,5'-Dithiobis[2-(trifluoromethyl)-1H-benzimidazole]; Bis(2-(trifluoromethyl)-1H-benzimidazol-6-yl) disulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659162	.	.	.	.	434.4	C16H8F6N4S2	108	514	5	28	2	10	3	"InChI=1S/C16H8F6N4S2/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-28-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26)"	C1=CC2=C(C=C1SSC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)NC(=N2)C(F)(F)F	BJIWXWHVTJMLCI-UHFFFAOYSA-N
DG50489	"Thioacetic acid, S-(alpha-nitromethyl-4-benzyloxy-3-methoxybenzyl) ester"	59622	"NSC664263; 102585-63-7; Thioacetic acid, S-(alpha-nitromethyl-4-benzyloxy-3-methoxybenzyl) ester; Ethanethioic acid, S-(4-(benzyloxy)-3-methoxy-alpha-nitromethylbenzyl) ester; ACETIC ACID, THIO-, S-(4-(BENZYLOXY)-3-METHOXY-alpha-NITROMETHYLBENZYL) ESTER; CHEMBL2004970; DTXSID00907868; s-{1-[4-(benzyloxy)-3-methoxyphenyl]-2-nitroethyl} ethanethioate; NSC-664263; NCI60_022139; S-[1-(4-benzyloxy-3-methoxy-phenyl)-2-nitro-ethyl] ethanethioate; Thioacetic acid S-[4-(benzyloxy)-3-methoxy-alpha-(nitromethyl)benzyl] ester; S-(1-(4-(Benzyloxy)-3-methoxyphenyl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664263	.	.	.	.	361.4	C18H19NO5S	107	436	3.2	25	0	6	8	"InChI=1S/C18H19NO5S/c1-13(20)25-18(11-19(21)22)15-8-9-16(17(10-15)23-2)24-12-14-6-4-3-5-7-14/h3-10,18H,11-12H2,1-2H3"	CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC	CHFGMZYYHGFBSB-UHFFFAOYSA-N
DG50490	Piroxantrone	59916	"Piroxantrone; 91441-23-5; UNII-YL4TY9WH22; CI-942; PD-111815; YL4TY9WH22; CHEMBL203666; NSC-349174; Oxanthrazole; Oxantrazole; Piroxantrone [INN]; Dup 942; NCS 349174; Oxantrazole; PD 111815;; Piroxantrona; Piroxantronum; Piroxantronum [INN-Latin]; Piroxantrona [INN-Spanish]; 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)dibenzo[cd,g]indazol-6(2H)-one; NSC349174; BRN 4725135; Piroxanthrone; 5-[(3-Aminopropyl)amino]-7,10-dihydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}dibenzo[cd,g]indazol-6(2H)-one; Bio4F4; Neuro_000181; SCHEMBL93599; Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-; DuP-942; SCHEMBL7195166; ZINC1581128; BDBM50183475; MCULE-1187076810; NCI60_003106; Q27294569; (3-aminopropylamino)-dihydroxy-[2-(2-hydroxyethylamino)ethyl][ ]one; 10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one; 5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-2H-dibenzo[cd,g]indazol-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349174	.	.	.	.	411.5	C21H25N5O4	143	997	-1.1	30	6	9	8	"InChI=1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23,25,27,29-30H,1,6-11,22H2"	C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O	UKNVCOILWOLTLJ-UHFFFAOYSA-N
DG50491	"N,N'-Bis(2-(dimethylamino)ethyl)-9,10-anthracenebis(methylamine)"	60242	"N,N'-Bis(2-(dimethylamino)ethyl)-9,10-anthracenebis(methylamine); 108365-87-3; CHEBI:52114; N(1),N(1)'-(anthracene-9,10-diyldimethanediyl)bis(N(2),N(2)-dimethylethane-1,2-diamine); N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine; NSC622293; BRN 3629218; CHEMBL287188; SCHEMBL9189034; DTXSID10910702; 9,10-ANTHRACENEBIS(METHYLAMINE), N,N'-BIS(2-(DIMETHYLAMINO)ETHYL)-; NSC-622293; NCI60_006478; 9,10-Bis[(2-dimethylaminoethylamino)methyl]anthracene; Q27123249; 9,10-bis-[N-(2-Dimethylaminoethyl)aminomethyl]anthracene; N~1~,N~1'~-[Anthracene-9,10-diylbis(methylene)]bis(N~2~,N~2~-dimethylethane-1,2-diamine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622293	.	.	.	.	378.6	C24H34N4	30.5	374	3.2	28	2	4	10	"InChI=1S/C24H34N4/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23/h5-12,25-26H,13-18H2,1-4H3"	CN(C)CCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCN(C)C	NQNIIYOBGWAPDR-UHFFFAOYSA-N
DG50492	Topotecan hydrochloride	60699	"TOPOTECAN HYDROCHLORIDE; 119413-54-6; Topotecan Hcl; Hycamtin; Topotecan (Hydrochloride); Nogitecan hydrochloride; NSC 609699; SK&F S-104864-A; UNII-956S425ZCY; Topotecan hydrochloride [USAN]; NSC609699; SKF 104864A; NSC-609699; 956S425ZCY; NSC-759263; Topotecan Actavis; NCGC00095189-01; Hycamtin (TN); SKF 104864A; NSC 609669; DSSTox_CID_25952; DSSTox_RID_81248; DSSTox_GSID_45952; Topotecan hydrochloride (USAN); SKF 104864A (Hydrochloride);NSC 609669 (Hydrochloride); TOPOTECANHYDROCHLORIDE; CHEMBL1607; Hycamptamine hydrochloride; Topotecan monohydrochloride; (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; SMR000466344; CAS-119413-54-6; SK&F-S-104864A; NSC 609669; DRG-0288; 9-Dimethylaminomethyl-10-hydroxycamptothecin.; Evotopin; Evotropin; Topotecan teva; nogitecan HCl; Topotecan Hospira; Potactasol (TN); (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione Hydrochloride; (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione monohydrochloride; Topotecan HCl - Hycamtin; SCHEMBL7247; Topotecan (as hydrochloride); Hycamtin (TN) (GlaxoSmith); MLS000759456; MLS001401447; SPECTRUM1505820; Nogitecan hydrochloride (JAN); DTXSID1045952; AOB6645; SKFS 104864A; HMS1922H22; Pharmakon1600-01505820; 10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; AMY24931; BCP00930; SKF-S 104864-A; Tox21_111478; CCG-37460; HY-13768A; MFCD00866235; NCGC00014925; NCI609699; NK-211; NSC759263; s1231; SK&F-S-104864-A; AKOS015900415; SK&F 104864-A; Tox21_111478_1; AC-1551; CS-1498; KS-1410; NC00177; NSC 759263; NCGC00014925-06; NCGC00095189-02; NCGC00095189-03; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, monohydrochloride, (S)-; SW197557-5; T-160; D02168; 413T546; E-89/001; 9-Dimethylaminomethyl-10-hydroxycamptothecin, HCl salt; Q27271753; (S)-10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride; (S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[l,2-b]quinoline-3,14(4H,12H)-dione monohydrochloride; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	609699	.	.	.	.	457.9	C23H24ClN3O5	103	867	.	32	3	7	3	"InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl	DGHHQBMTXTWTJV-BQAIUKQQSA-N
DG50493	Alocrest	60780	"vinorelbine; alocrest; 71486-22-1; methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate; NSC-760087; inx-0125; SCHEMBL1653160; SCHEMBL16786345; Pharmakon1600-01502272; NSC760087; NCGC00386325-01; NCGC00482514-01; J-525161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760087	.	.	.	.	778.9	C45H54N4O8	134	1690	3.6	57	2	11	10	"InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28 ,37-,38+,39+,42+,43+,44-,45-/m0/s1"	CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC	GBABOYUKABKIAF-BXZSYHTRSA-N
DG50494	Bizelesin	60794	"BIZELESIN; 129655-21-6; UNII-L0O9OBI87E; U-77779; L0O9OBI87E; NSC-615291; Bizelesin [USAN:INN]; 1,3-bis(2-((S)-1-(chloromethyl)-5-hydroxy-8-methyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-1H-indol-5-yl)urea; U 77779; U-77,779; NSC 615291; Bizelesin (USAN/INN); SCHEMBL4433; 1,3-Bis(2-(((S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)indol-5-yl)urea; CHEMBL284642; DTXSID00156213; NSC615291; ZINC85536995; DB12352; 1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea; Benzo(1,2-b:4,3-b')dipyrrol-4-ol, 6,6'-(carbonylbis(imino-1H-indole-5,2-diylcarbonyl))bis(8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, (S-(R*,R*))-; D03137; Q27282553; Benzo[1,3-b']dipyrrol-4-ol, 6,6'-[carbonylbis(imino- 1H-indole-5,2-diylcarbonyl)]bis[8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, [S-(R*,R*)]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615291	.	.	.	.	815.7	C43H36Cl2N8O5	185	1470	6.5	58	8	5	6	"InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1"	CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O	FONKWHRXTPJODV-DNQXCXABSA-N
DG50495	NSC133100	60907	NSC133100; 6998-60-3; 15105-92-7; MCULE-7826276250; FT-0701680	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133100	.	.	.	.	697.8	C37H47NO12	201	1330	4.9	50	6	12	3	"InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)"	CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C	HJYYPODYNSCCOU-UHFFFAOYSA-N
DG50496	Octyl gallate	61253	"Octyl gallate; 1034-01-1; Octyl 3,4,5-trihydroxybenzoate; n-Octyl gallate; Progallin O; Stabilizer GA 8; n-Octylgallate; Gallic acid octyl ester; Gallic acid, octyl ester; Gallic acid n-octyl ester; BENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTER; Oktylester kyseliny gallove; GA 8 (VAN); NSC 97419; n-Octyl ester of 3,4,5-trihydroxybenzoic acid; UNII-079IIA2811; E311; CHEMBL277346; GA 8; CHEBI:83631; 079IIA2811; Oktylester kyseliny gallove [Czech]; EINECS 213-853-0; BRN 2132305; Gallic acid octyl; Stabilizer GA-8; Gallic acid-octyl ester; Gallic acid n-octyl-ester; DSSTox_CID_20713; DSSTox_RID_79561; DSSTox_GSID_40713; SCHEMBL36234; 4-10-00-02005 (Beilstein Handbook Reference); BIDD:ER0271; WLN: QR BQ CQ EVO8; DTXSID4040713; Octyl 3,4,5-trihydroxybenzoate #; BCP15873; HY-N2011; NSC97419; ZINC1632635; Tox21_300272; BDBM50240376; MFCD00002197; NSC-97419; AKOS009031297; CCG-267265; CM10962; MCULE-8649192489; NCGC00164126-01; NCGC00164126-02; NCGC00164126-03; NCGC00254030-01; AC-20128; AC-34483; AS-10960; CAS-1034-01-1; 3,4,5-Trihydroxy-benzoic acid octyl ester; Benzoic acid,4,5-trihydroxy-, octyl ester; DB-110046; Octyl gallate, analytical reference material; CS-0018331; FT-0626598; G0206; n-Octyl ester of 3,5-trihydroxybenzoic acid; S9338; octyl 3,4,5-trihydroxybenzoate;Octyl gallate; Octyl gallate, antioxidant, >=99.0% (HPLC); A800728; J-000952; Q2317929; Octyl gallate, European Pharmacopoeia (EP) Reference Standard; 65D"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97419	.	.	.	.	282.33	C15H22O5	87	269	3.7	20	3	5	9	"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3"	CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O	NRPKURNSADTHLJ-UHFFFAOYSA-N
DG50497	Sudan III	62331	"Sudan III; Solvent red 23; 85-86-9; C.I. Solvent Red 23; Cerasin Red; Cerasinrot; Fettscharlach; Fettrot; Sudan Red III; Oil Red G; Rouge cerasine; Oil Red AS; Organol Scarlet; Stearix Scarlet; Fettponceau G; Pyronalrot B; Fettscharlach LB; Toney Red; Tony Red; Oil Scarlet G; Cerotinscharlach R; Fat Scarlet LB; Oil Scarlet AS; Organol Red BS; Somalia Red III; Soudan III; Motirot 2R; Certiqual Oil Red; Atul Oil Red G; Sudan 3; Fat Red HRR; Fat Red R; Fat Red RS; Sudan G III; Sudan P III; Red ZH; Silotras Scarlet TB; Fat Soluble Red ZH; Oil Red 3G; Schultz No. 31; Fast Oil Scarlet III; Brasilazina Oil Scarlet; Grasal Brilliant Red G; Grasan Brilliant Red G; C.I. 26100; Sudan Red BK; Oil Red 6566; D and C Red No. 17; Red No. 225; FD and C Red No. 17; 1-[4-(Phenylazo)phenylazo]-2-naphthol; D & C Red no. 17; 2-Naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-; Ponceau, insoluble, OLG; 111440 Red; C.I. 23; 1-(4-(Phenylazo)phenylazo)-2-naphthol; Benzeneazobenzeneazo-beta-naphthol; Cerven rozpoustedlova 23; UNII-ND733RX3JN; 1-(Phenylazophenylazo)-2-hydroxynaphthalene; Rot C; Rot G; Sudan III, G; CI 26100; Scarlet B, fat soluble; 1-((4-(Phenylazo)phenyl)azo)-2-naphthalenol; MFCD00003905; ND733RX3JN; Tetrazobenzene-.beta.-naphthol; 2-Naphthol, 1-((p-(phenylazo)phenyl)azo)-; 1-((E)-(4-((E)-phenyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; Fat Red, Bluish; Ponceau, OLG; Benzeneazobenzeneazo-.beta.-naphthol; SolventRed23; Sudan III (C.I. 26100); 1071538-45-8; 2-NAPHTHALENOL, 1-((4-(PHENYLAZO)PHENYL)AZO)-; 2-Naphthalenol, 1-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-; 1-[[p-(Phenylazo)phenyl]azo]-2-naphthol; 2-Naphthol, 1-[[p-(phenylazo)phenyl]azo]-; 1-[[4-(Phenylazo)phenyl]azo]-2-naphthalenol; 1-{[4-(phenyldiazenyl)phenyl]diazenyl}-2-naphthol; Fat Red (bluish); 1-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalen-2-ol; 1-[(E)-[4-[(E)-phenylazo]phenyl]azo]naphthalen-2-ol; Japan Red 225; Sudan III (G); Scarlet B Fat Soluble; WLN: L66J BNUNR DNUNR&& CQ; Fat Red, Bluish (VAN); Fat Ponceau G; Fat Soluble Sudan; CCRIS 7074; D & C Red #17; Cerven rozpoustedlova 23 [Czech]; 1-((4-[Phenyldiazenyl]phenyl)diazenyl)-2-naphthol; EINECS 201-638-4; NSC 65825; 1-((4-(Phenyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-((p-Phenylazo)phenyl)azo-2-naphthol; BRN 0931185; Sudanrot; 2-Naphthalenol, 1-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-; 1-[(E)-[4-[(E)-phenyldiazenyl]phenyl]diazenyl]naphthalen-2-ol; 1-[(E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl]naphthalen-2-ol; AI3-02854; Oil Red Extra; Sudan  ; Oil Red DR 126; DC Red 17; Sudan IIISolvent Red 23; Sudan III, Technical grade; SCHEMBL52298; 4-16-00-00248 (Beilstein Handbook Reference); SCHEMBL331733; SCHEMBL506289; Sudan III-(naphthyl-[d6]); Sudan III, analytical standard; CHEMBL2001927; DTXSID3041742; SCHEMBL10294618; SCHEMBL11882848; SCHEMBL11882853; SCHEMBL20138219; CHEBI:82535; NSC8995; C.I. Solvent Red 23 (8CI); HY-D0931; NSC-8995; NSC65825; NSC-65825; s5165; STL256855; Sudan Red (chromatographic standard); ZINC12358860; AKOS003581971; AKOS028109139; ZINC100463273; ZINC101109125; ZINC101109132; ZINC245189235; CCG-268054; MCULE-7983983039; Sudan 3 100 microg/mL in Acetonitrile; LS-14923; T804; DB-056885; CS-0016887; FT-0631403; S0142; C19527; E75949; 1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol; Q1187765; 1-((E)-{4-[(E)-phenyldiazenyl]phenyl}diazenyl)-2-naphthol; 1-((E)-(4-((E)-phenyldiazenyl)phenyl)diazenyl)-naphthalen-2-ol; Sudan III, certified by the Biological Stain Commission, BioXtra"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8995	.	.	.	.	352.4	C22H16N4O	69.7	508	5.9	27	1	5	4	"InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H"	C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O	FHNINJWBTRXEBC-UHFFFAOYSA-N
DG50498	Acridine orange	62344	"Acridine orange; 494-38-2; Acridine Orange Base; Solvent Orange 15; N3,N3,N6,N6-Tetramethylacridine-3,6-diamine; Waxoline Orange A; 3,6-Bis(dimethylamino)acridine; C.I. Solvent Orange 15; Brilliant Acridine Orange E; 3,6-Di(dimethylamino)acridine; Acridine Orange Free Base; Oranz akridinova; Rhoduline Orange N; C.I. 46005B; C.I. No. 46005:1; ACRIDINEORANGE; Acridine, 3,6-bis(dimethylamino)-; N,N,N',N'-Tetramethyl-3,6-acridinediamine; Acridinorange; Oranz rozpoustedlova 15; Acridine Orange NO; Rhoduline Orange NO; UNII-F30N4O6XVV; NSC 194350; 2,8-Bis(dimethylamino)acridine; 3,6-Bis-(dimethylamino)akridin; 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine; F30N4O6XVV; Rhoduline Orange N, Rhoduline Orange NO; 3,6-ACRIDINEDIAMINE, N,N,N',N'-TETRAMETHYL-; CHEMBL81880; CHEBI:87346; NSC194350; Oranz akridinova [Czech]; 2,8-Bisdimethylaminoacridine; Acridine Orange Stain; Oranz rozpoustedlova 15 [Czech]; N,N,N',N'-Tetramethylacridinediamine; BRN 0020916; 3,6-Bis-(dimethylamino)akridin [Czech]; AO; N,N,N(sup 1),N(sup 1)-Tetramethylacridinediamine; Euchrysine (Salt/Mix); Acridinediamine, N,N,N',N'-tetramethyl-; Rhoduline Orange (Salt/Mix); 4-22-00-05490 (Beilstein Handbook Reference); 3,6-Bis-dimethylaminoacridine; BIDD:GT0571; SCHEMBL297155; Basic Orange 14 (Salt/Mix); Basic Orange 3RN (Salt/Mix); 3, 6-Bis-dimethylaminoacridine; Acridine,6-bis(dimethylamino)-; Acridine Orange NO (Salt/Mix); Rhoduline Orange NO (Salt/Mix); DTXSID60197783; C.I. 46005 (Salt/Mix); ZINC4262317; BDBM50105462; MFCD00005029; Acridine Orange solution, 2% in H2O; AKOS016009859; FS-5125; MCULE-8917876301; NSC-194350; Acridine Orange base, Dye content 75 %; L916; NCI60_001622; N,N',N'-Tetramethyl-3,6-acridinediamine; DB-051628; CS-0022134; FT-0741661; WLN: T C666 BNJ EN1&1 MN1&1; C19315; F19170; [6-(dimethylamino)acridin-3-yl]-dimethyl-amine; N,N,N'',N''-Tetramethyl-acridine-3,6-diamine; A871807; Acridinediamine, N,N,N',N'-tetramethyl- (9CI); Q342717; 3,6-Acridinediamine, N,N,N',N'-tetramethyl- (9CI); N(3),N(3),N(6),N(6)-tetramethylacridine-3,6-diamine; N~3~,N~3~,N~6~,N~6~-Tetramethyl-3,6-acridinediamine; N3,N3,N6,N6-Tetramethylacridine-3,6-diamine (Acridine orange); 3,6-Bis(dimethylamino)acridine Solvent Orange 15; Acridine Orange base;"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194350	.	.	.	.	265.35	C17H19N3	19.4	298	3.4	20	0	3	2	"InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3"	CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C	DPKHZNPWBDQZCN-UHFFFAOYSA-N
DG50499	Tetradecylpyridinium bromide	62379	"1155-74-4; 1-tetradecylpyridin-1-ium bromide; TETRADECYLPYRIDINIUM BROMIDE; 1-Tetradecylpyridinium bromide; Myristylpyridinium bromide; Fixanol VR; Morpan TPB; Fylomac 90; UNII-V2WIJ52V0W; Pyridinium, 1-tetradecyl-, bromide (1:1); N-Tetradecylpyridinium bromide; 1-tetradecylpyridin-1-ium;bromide; V2WIJ52V0W; Pyridinium, 1-tetradecyl-, bromide; EINECS 214-586-2; NSC 148339; 2-Cyclopentylethylchloride; DSSTox_CID_22459; DSSTox_RID_80030; DSSTox_GSID_42459; SCHEMBL177665; CHEMBL3181920; DTXSID5042459; Tox21_301239; 2528AA; NSC148339; AKOS015891724; MCULE-5833815773; NSC-148339; NCGC00255864-01; CAS-1155-74-4; A803456; Q27291460"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148339	.	.	.	.	356.4	C19H34BrN	3.9	184	.	21	0	1	13	"InChI=1S/C19H34N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1"	CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]	HJNAJKBRYDFICV-UHFFFAOYSA-M
DG50500	"2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide"	64164	"2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide; 7020-51-1; NSC160127; Pentamethylenetetramine sulfone; NSC 160127; BRN 0012323; C5H10N4O2S; CHEMBL1993050; SCHEMBL11586299; DTXSID30220471; 2-Thia-1,3,5,7-tetrazatricyclo(3.3.1.1(sup 3,7))decane, 2,2-dioxide; NSC-160127; NCI60_001186; 2-Thia-1,5,7-tetraazaadamantane, 2,2-dioxide; 2-Thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide; 2-Thia-1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane 2,2-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	160127	.	.	.	.	190.23	C5H10N4O2S	55.5	274	-0.7	12	0	6	0	InChI=1S/C5H10N4O2S/c10-12(11)8-2-6-1-7(4-8)5-9(12)3-6/h1-5H2	C1N2CN3CN1CN(C2)S3(=O)=O	GIMJMQVYJORODJ-UHFFFAOYSA-N
DG50501	"Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-"	64376	"53743-43-4; NSC166199; Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-; NSC-166199; NSC 166199; N-[bis(aziridin-1-yl)phosphoryl]adamantan-1-amine; P,P-Bis(1-aziridinyl)-N-(1-adamantyl)-phosphinic amide; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-; CHEMBL2006487; DTXSID80202020; ZINC73370141; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo[3.3.1.1(3.7)]dec-1-yl-; NCI60_001286; Phosphinic amide,P-bis(1-aziridinyl)-N-tricyclo[3.3.1.1(3.7)]dec-1-yl-; Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo(3.3.1.1(3.7))dec-1-yl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166199	.	.	.	.	281.33	C14H24N3OP	35.1	400	1.8	19	1	4	4	"InChI=1S/C14H24N3OP/c18-19(16-1-2-16,17-3-4-17)15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10H2,(H,15,18)"	C1CN1P(=O)(NC23CC4CC(C2)CC(C4)C3)N5CC5	MXRAUZXJODDPPN-UHFFFAOYSA-N
DG50502	Mevastatin	64715	"73573-88-3; Compactin; EC 700-442-0; Mevastatin; ML-236B; Mevastatina; Mevastatine; Mevastatinum; Mevastatinum [INN-Latin]; Antibiotic ML 236B; CS 500; UNII-1UQM1K0W9X; ML 236 B; 1UQM1K0W9X; CHEMBL54440; [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate; CHEBI:34848; MFCD05662341; ML236B; Mevastatin [INN]; Compactin (penicillium); Mevastatine [INN-French]; Mevastatina [INN-Spanish]; (1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate; (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-; SMR000336944; CCRIS 4505; kompaktin; NSC-759322; NCGC00095942-01; Mevastatin- Bio-X; SCHEMBL1116; DSSTox_CID_20684; DSSTox_RID_79540; DSSTox_GSID_40684; Lopac0_000754; MLS000721804; MLS000759452; MLS001424284; MLS002207227; GTPL3031; DTXSID4040684; Mevastatin, >=96% (HPLC); HMS2052P07; HMS2089D10; HMS2232N09; HMS3262G10; HMS3268A19; HMS3412H15; HMS3676H15; HMS3713B06; ZINC3833876; Tox21_111540; Tox21_500754; BDBM50011036; CS-500; NSC779705; s4223; AKOS015994712; Mevastatin, >=95% (HPLC), powder; CCG-101174; CS-1234; DB06693; KS-1085; LP00754; NC00424; NSC 759322; NSC-779705; SDCCGSBI-0050732.P002; 7-(1,2,6,7,8,8a-Hexahydro-2-methyl-8-(2-methylbutyryloxy)naphthyl)-3-hydroxyheptan-5-olide; SMP1_000077; NCGC00025202-04; NCGC00261439-01; (1S,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl(2S)-2-methylbutanoate; BM164666; Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-; Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha(R*),7-beta,8-beta(2S*,4S*),8a-beta))-; HY-17408; I518; Mevastatin 100 microg/mL in Acetonitrile; CAS-73573-88-3; B1788; EU-0100754; M2275; H11997; M 2537; AB00588266-06; AB00588266-08; AB00588266_09; 573M883; A837861; Q414407; SR-01000729493; L-637312; SR-01000729493-4; BRD-K94441233-001-03-1; BRD-K94441233-001-17-1; (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate; (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate; (S)-2-Methyl-butyric acid (1S,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester; 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester; 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester((+)-compactin); 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(compactin)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	779705	.	.	.	.	390.5	C23H34O5	72.8	637	3.9	28	1	5	7	"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1"	CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	AJLFOPYRIVGYMJ-INTXDZFKSA-N
DG50503	Baker's Antifol	64840	"Baker's Antifol; 21321-03-9; NSC 113423; NSC113423; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; Insoluble baker's antifol; DTXSID50175595; NSC-113423; 1-[((4-Fluorosulfonyl-3-methyl-phenylaminocarbonyl)ethylene)phen-4-; 1-(4-(N-(3'-Methyl-4'-fluorosulfonyl)phenyl)propanamide)phenyl-4,6- diamino-1,2-dihydro-2,2-dimethyl-s-triazine ethanesulfonate dihydrate; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid; Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methyl-, monoethanesulfonate (9CI); Benzenesulfonyl fluoride,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methyl-, monoethanesulfonate; Ethanesulfonic acid, compd. with 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methylbenzenesulfonyl fluoride (1:1) (9CI); Ethanesulfonic acid, compd. with 4-(p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido)-o-toluenesulfonyl fluoride (1:1) (8CI); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido]-o-toluenesulfonyl fluoride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113423	.	.	.	.	570.7	C23H31FN6O6S2	214	967	.	38	4	8	7	"InChI=1S/C21H25FN6O3S.C2H6O3S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F	OGONXIUGGALDIV-UHFFFAOYSA-N
DG50504	Ursolic acid	64945	"Ursolic acid; 77-52-1; Prunol; Malol; Urson; 3beta-Hydroxyurs-12-en-28-oic acid; (3beta)-3-Hydroxyurs-12-en-28-oic acid; 3beta-Hydroxy-12-ursen-28-ic acid; ursolic-acid; NSC 167406; UNII-P3M2575F3F; (+)-Ursolic acid; CHEBI:9908; NSC-4060; CHEMBL169; P3M2575F3F; .beta.-Ursolic acid; NSC-167406; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; 3B-HYDROXYURS-12-EN-28-OIC ACID; NSC 4060; Bungeolic acid; NSC4060; MFCD00009621; SMR000445681; SR-01000779684; EINECS 201-034-0; Micromerol; TNP00103; Uosolic acid; AI3-03109; HSDB 7685; 6Q5; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Prestwick3_000089; Ursolic acid, >=90%; SCHEMBL70205; BSPBio_000018; MLS000728569; MLS002154196; MLS002207073; BPBio1_000020; N-Ethylhydroxylaminehydrochloride; DTXSID70883221; Ursolic acid, analytical standard; 3beta-Hydroxyurs-12-en-28-oate; HMS2095A20; HMS2231P19; (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; 3beta-hydroxy-Urs-12-en-28-oate; HY-N0140; ZINC3978827; 3 -Hydroxy-12-ursen-28-ic acid; BDBM50148911; 3beta-Hydroxy-12-ursen-28-oic Acid; AKOS005228010; AKOS016023773; 3.beta.-hydroxy-Urs-12-en-28-oate; CCG-208282; CS-3799; DB15588; LMPR0106180007; (3beta)-3-Hydroxyurs-12-en-28-oate; 3beta-hydroxy-Urs-12-en-28-oic acid; (3beta)-3-hydroxy-Urs-12-en-28-oate; AS-35119; 3.beta.-hydroxy-Urs-12-en-28-oic acid; (3beta)-3-hydroxy-Urs-12-en-28-oic acid; AB00513802; N1823; U0065; C08988; 009U621; A839123; Q416260; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); Q-201916; SR-01000779684-4; SR-01000779684-5; BRD-K68185022-001-02-3; BRD-K68185022-001-14-8; Ursolic acid, primary pharmaceutical reference standard; AF479D19-631E-48F1-8ABA-FB2A806046FA; (3beta,5beta,18alpha,20beta)-3-hydroxyurs-12-en-28-oic acid; Ursolic acid, European Pharmacopoeia (EP) Reference Standard; Ursolic acid, United States Pharmacopeia (USP) Reference Standard"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4060	.	.	.	.	456.7	C30H48O3	57.5	874	7.3	33	2	3	1	"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1"	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	WCGUUGGRBIKTOS-GPOJBZKASA-N
DG50505	"2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-"	64983	"30195-30-3; Ro 5-3335; Ro5-3335; Ro-5-3335; UNII-DLH4T68L7I; 7-Chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-2H-1,4-benzodiazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one; DLH4T68L7I; CHEMBL91609; MLS000736730; 7-Chloro-5-(2-pyrryl)-3H-1,4-benzodiazepin-2(H)-one; 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-; NSC66020; NSC 66020; 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-; SMR000528305; NCIOpen2_002953; CBFb-Runx1 inhibitor II; CBF -Runx1 inhibitor II; CBFbeta-Runx1 inhibitor II; MLS003370628; SCHEMBL8844868; ZINC5155; NIOSH/DF2378100; DTXSID20184270; CHEBI:131785; HMS2886K04; EX-A5723; BDBM50032828; NSC-66020; AKOS024458296; NCGC00185960-01; AS-84217; HY-108470; B7697; CS-0028862; DF23781000; 2H-1, 7-chloro-1,3-dihydro-5-pyrrol-2-yl-; Q27887134; 1,3-Dihydro-7-chloro-5-pyrrol-2-yl-2H-1,4-benzodiazepin-2-one; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-pyrrol-2-yl-; 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-1,4-benzodiazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 7-Chloro-5-(1H-pyrrol-2-yl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one; 7-chloro-5-(1H-pyrrol-2-yl)-1H-benzo[e][1,4]diazepin-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66020	.	.	.	.	259.69	C13H10ClN3O	57.2	371	1.5	18	2	2	1	"InChI=1S/C13H10ClN3O/c14-8-3-4-10-9(6-8)13(11-2-1-5-15-11)16-7-12(18)17-10/h1-6,15H,7H2,(H,17,18)"	C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3	XWNMORIHKRROGW-UHFFFAOYSA-N
DG50506	4-(2-Pyridylazo)resorcinol	65069	"4-(2-Pyridylazo)resorcinol; 1141-59-9; 4-(Pyridin-2-yldiazenyl)benzene-1,3-diol; 1,3-Benzenediol, 4-(2-pyridinylazo)-; 4-(2-Pyridlyazo)resorcinol; 4-(2-Pyridylazo)-2-resorcinol; Resorcinol, 4-(2-pyridylazo)-; 1-(2-Pyridylazo)resorcinol; UNII-N68T40H95T; NSC 148355; N68T40H95T; 1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]-; MFCD00006256; 113964-55-9; (e)-4-(pyridin-2-yldiazenyl)benzene-1,3-diol; 16593-81-0; 1,3-Benzenediol, 4-(2-(2-pyridinyl)diazenyl)-; 4-(2-Pyridylazo)resorcinol monosodium salt hydrate; 4-(2-pyridylazo)-1,3-benzenediol; EINECS 214-528-6; Bio4E6; 4(2-pyridylazo)resorcinol; 1, 4-(2-pyridinylazo)-; CBDivE_001331; 4-(2-Pyridylazo) resorcinol; SCHEMBL624305; SCHEMBL2861597; SCHEMBL4953280; DTXSID7061560; 4-(2-Pyridylazo)resorcinol, 96%; ZINC4272044; 4-(2-pyridinylazo)-1,3-benzendiol; NSC148355; NSC794455; ZINC12358850; AKOS015892101; AKOS024348854; ZINC100020159; ZINC100501557; ZINC252626980; MCULE-8230273506; NSC-148355; NSC-794455; BS-43763; U229; DB-041202; 4-(2-Pyridinyldiazenyl)-1,3-benzenediol #; FT-0616557; D88560; 1,3-Benzenediol,4-[2-(2-pyridinyl)diazenyl]-; A894267; W-108605; 4-(2-Pyridylazo)-resorcinol sodium salt (Salt/Mix); Q27284605; 4-(2-Pyridyl-azo)-resorcinol monosodium salt (Salt/Mix)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	794455	.	.	.	.	215.21	C11H9N3O2	78.1	247	2.3	16	2	5	2	"InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H"	C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O	RJNYNDHYSJRRDW-UHFFFAOYSA-N
DG50507	Neocuproine	65237	"Neocuproine; 2,9-Dimethyl-1,10-phenanthroline; 484-11-7; Neocuproin; 1,10-Phenanthroline, 2,9-dimethyl-; 2,9-Dimethylphenanthroline; 2,9-Dimethyl-o-phenanthroline; neo-Cuproin; DMPHEN; NSC4280; UNII-8E7D2SH3BV; 34302-69-7; 8E7D2SH3BV; MLS001194484; GNF-PF-5611; MFCD00004973; SMR000555011; DMPHEN; NSC 4280; Neocuproin; VUF 7738; NSC 4280; EINECS 207-601-9; 2,9-Dimethyl-1,10-phenanthroline hemihydrate, 98%; MEPHEN; 2,10-phenanthroline; Neocuproine, >=98%; 1, 2,9-dimethyl-; NCIMech_000034; Oprea1_068014; cid_65237; 484-11-7 (anhydrous); SCHEMBL124563; CHEMBL375781; DTXSID5060065; BDBM64740; CHEBI:91222; HMS2230M06; HMS3373K19; KUC107774N; ZINC119332; 2,10-dimethyl-1,9-phenanthroline; BCP18357; DNDI1343110; KSC-09-264B; NSC-4280; 2,9-di-methyl-1,10-phenanthroline; 3,6-Dimethyl-4,5-diazaphenanthrene; CCG-16034; CCG-35468; MFCD00149306; AKOS000511700; CS-W004563; MCULE-3651567163; NCGC00245843-01; AS-14894; NCI60_003986; SY010909; DB-050426; D0771; EU-0036872; FT-0610770; Neocuproine, Vetec(TM) reagent grade, 98%; F20419; 2,9-Dimethyl-1,10-phenanthroline  Neocuproine; AB00443806-10; AB00443806-12; A827529; Q409347; J-610070; BRD-K16598630-001-05-7; Z2301294930; 2,9-DIMETHYL-1,10-PHENANTHROLINE, REAGENT (ACS)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4280	.	.	.	.	208.26	C14H12N2	25.8	227	3.3	16	0	2	0	"InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3"	CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C	IYRGXJIJGHOCFS-UHFFFAOYSA-N
DG50508	2-Amino-6-methoxypurine	65275	"2-Amino-6-methoxypurine; 20535-83-5; 6-Methoxyguanine; O6-Methylguanine; 6-methoxy-9H-purin-2-amine; 6-Methoxy-7H-purin-2-amine; 6-O-Methylguanine; O-(6)-Methylguanine; 1H-Purin-2-amine, 6-methoxy-; Purine, 2-amino-6-methoxy-; 6-Methoxy-1H-purine-2-amine; O(sup 6)-Methylguanine; O-Methylguanine; UNII-9B710FV2AE; MFCD00133009; 9B710FV2AE; CHEMBL226395; NSC37364; 6-METHOXY-1H-PURIN-2-AMINE; O(6)-methylguanine; NSC 37364; 6GO; 9H-PURIN-2-AMINE, 6-METHOXY-; O6-MeG; 2-amino-6-methoxy purine; NCIMech_000186; 6-O-Methylguanine, 97%; DSSTox_CID_29365; DSSTox_RID_83480; DSSTox_GSID_49405; MLS001074870; SCHEMBL231097; BDBM5470; DTXSID9049405; CHEBI:20689; 6-Methoxy-7H-purin-2-amine #; AMY3380; O6-Substituted Guanine Deriv. 1; HMS2231D13; HMS3370E06; BCP30956; ZINC4770610; Tox21_202966; BBL101282; CCG-35441; NSC-37364; STL555078; AKOS005257755; AKOS015914255; Purine, 2-amino-6-methoxy- (8CI); CS-W014307; LS20599; MB00722; MCULE-4539018382; NCGC00247006-01; NCGC00260512-01; NCI60_003482; P393; SMR000568400; SY036172; TS-00127; 2-Amino-6-methoxypurine;6-O-Methylguanine; CAS-20535-83-5; DB-045270; A1151; FT-0638008; FT-0671802; 6-O-Methylguanine (2-Amino-6-Methoxypurine); W13855; 535A835; A814660; Q4641549; W-201791; 6-methoxy-7H-purin-2-amine;2-Amino-6-methoxypurine; BRD-K99514692-001-06-7; 6-O-Methylguanine (2-Amino-6-Methoxypurine), Pharmaceutical Secondary Standard; Certified Reference Material"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37364	.	.	.	.	165.15	C6H7N5O	89.7	166	-0.2	12	2	5	1	"InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)"	COC1=NC(=NC2=C1NC=N2)N	BXJHWYVXLGLDMZ-UHFFFAOYSA-N
DG50509	Epirubicin hydrochloride	65348	"Epirubicin hydrochloride; Pharmorubicin; 56390-09-1; Ellence; Epirubicin HCl; Farmorubicin; Farmorubicina; 4'-Epidoxorubicin hydrochloride; Epirubicin Ebewe; epirubicin (hydrochloride); IMI-28; UNII-22966TX7J5; MLS001401404; NSC 256942; Pidorubicin; 22966TX7J5; 4'-epi-Adriamycin hydrochloride; NSC-759195; SMR000466308; 56390-09-1 (HCl); (8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride; Epirubitec; Epidoxorubicin hydrochloride; (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride; CCRIS 4477; EINECS 260-145-2; 25316-40-9; Ellence (TN); 4'-epi-Doxorubicin; Epirubicin hydrochlorid; 4'-epidoxorubicin HCl; CPD000466308; Epirubicin hydrochloride [USAN:USP:JAN]; E-ADM; 4'-epi-DX; SCHEMBL3165; (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside hydrochloride; MLS000759412; 4-Epidoxorubicin hydrochloride; CHEMBL1200981; DTXSID50860297; Pharmakon1600-01505708; AMY10308; EX-A2654; Epirubicin HCl (4'-epidoxorubicin); HY-13624A; MFCD00941448; NSC759195; s1223; WP-697; Epirubicin hydrochloride (JP17/USP); BCP9000651; CCG-100950; CS-1773; NC00200; (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-; 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabinohexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-; AS-75323; Epirubicin hydrochloride, >=90% (HPLC); D02214; D83113; SR-01000763557; Q-101406; SR-01000763557-3; Q27253634; Epirubicin hydrochloride, British Pharmacopoeia (BP) Reference Standard; Epirubicin hydrochloride, European Pharmacopoeia (EP) Reference Standard; Epirubicin hydrochloride, United States Pharmacopeia (USP) Reference Standard; (8S,10S)-10-((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride; (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), (8S,10S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	759195	.	.	.	.	580	C27H30ClNO11	206	977	.	40	7	12	5	"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1"	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl	MWWSFMDVAYGXBV-FGBSZODSSA-N
DG50510	Glaziovine	65631	"Glaziovine; 17127-48-9; Glaziovina; Suavedol; Glaziovine, L-; N-Methylcrotsparine; NSC141545; NSC-146052; Crotsparine, 6-methyl-; 6'-Hydroxy-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa[2,5]diene-1,7'-cyclopenta[ij]isoquinolin]-4-one; Glaziovinum; P.M. 297; (+/-)-2',3',8',8a'-Tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one; Glaziovine [INN]; (+-)-Glaziovine; 6808-72-6; Glaziovinum [INN-Latin]; Glaziovina [INN-Spanish]; glaziovinae; NSC 146052; C09457; (.+-.)-Glaziovine; AI3-34588; AC1L9CHE; Glaziovine, (.+-.)-; SCHEMBL554440; CHEMBL1980854; AOB5615; DTXSID90864739; NSC146052; NSC-141545; NCI60_000910; 2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLBROMIDE; (1R)-2,3,8,8a-Tetrahydro-6-hydroxy-5-methoxy-1-methylspiro[cyclopent[ij]isoquinoline-7(1H),1'-[2,5]cyclohexadien]-4'-one; (1S)-2,3,8,8a-Tetrahydro-6-hydroxy-5-methoxy-1-methylspiro[cyclopent[ij]isoquinoline-7(1H),1'-[2,5]cyclohexadien]-4'-one; 11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one; Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (+-)- (9CI); Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (.+-.)-; Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141545	.	.	.	.	297.3	C18H19NO3	49.8	525	2.2	22	1	4	1	"InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3"	CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC	PNJUPRNTSWJWAX-UHFFFAOYSA-N
DG50511	Procodazole	65708	"Procodazole; 23249-97-0; 3-(1H-Benzimidazol-2-yl)propanoic acid; 2-Benzimidazolepropionic acid; Propazol; 1H-Benzimidazole-2-propanoic acid; Procodazol; UNII-SG5IU7FD3R; NSC35790; 3-(1H-benzo[d]imidazol-2-yl)propanoic acid; NSC 35790; 3-(1H-Benzoimidazol-2-yl)-propionic acid; 3-(1H-1,3-Benzodiazol-2-Yl)Propanoic Acid; NSC-35790; SG5IU7FD3R; Propionic acid, 2-(2-benzimidazolyl)-; CHEMBL596009; Propazol;2-Benzimidazolepropionic acid; AL-1241; NCGC00013414-03; Estimulocel; DSSTox_CID_25093; DSSTox_RID_80666; DSSTox_GSID_45093; Procodazole [INN]; Procodazolum; Propazole; Procodazol [INN-Spanish]; Procodazolum [INN-Latin]; CAS-23249-97-0; 2-(2-Carboxyethyl)benzimidazole; beta-(2-Benzimidazole)propionic acid; beta-(2-Benzimidazolyl)propionic acid; BRN 0156920; 2-BENZIMIDAZOLEPROPIONICACID; 4BX; Estimulocel (Salt/Mix); NCIStruc1_000049; NCIStruc2_000216; Oprea1_461552; Oprea1_527552; 5-25-04-00311 (Beilstein Handbook Reference); SCHEMBL349966; 2-benzimidazole propionic acid; 2-benzimidazole-propionic acid; IFLab1_003962; DTXSID5045093; ZINC51581; CHEBI:134840; HMS1423E02; HMS3264A18; Pharmakon1600-01506175; ALBB-016689; HY-B1056; NCI35790; 2-Benzimidazolepropionic acid, 97%; Tox21_110025; 7893AD; BBL004542; BDBM50305668; CCG-36559; MFCD00041215; NCGC00013414; NSC760399; s4408; STK387005; AKOS000200796; Tox21_110025_1; CS-4578; MCULE-3731847757; NSC-760399; .beta.-(2-Benzimidazole)propionic acid; Propionic acid, 3-(2-benzimidazolyl)-; .beta.-(2-Benzimidazolyl)propionic acid; NCGC00013414-02; NCGC00013414-04; NCGC00096529-01; NCGC00096529-02; BP-13182; CS-10157; NCI60_003248; TS-02680; 1H-Benzimidazole-2-propanoic acid (9CI); 3-(1H-Benzimidazol-2-yl)propanoic acid #; Et2-N-4,5,6,7-4HBzthiophene carboxylate; BB 0219682; FT-0688794; SW219817-1; EN300-13260; E78041; AB00442573-04; AB00442573_05; AB00442573_06; SR-01000944283; J-640101; J-800103; SR-01000944283-1; BRD-K54824716-001-01-6; Q27289198; Z57115077; F0852-0156"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35790	.	.	.	.	190.2	C10H10N2O2	66	220	1.1	14	2	3	3	"InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)"	C1=CC=C2C(=C1)NC(=N2)CCC(=O)O	XYWJNTOURDMTPI-UHFFFAOYSA-N
DG50512	Phenosafranin	65732	"Phenosafranin; 81-93-6; Phenosafranine; 3,7-diamino-5-phenylphenazin-5-ium chloride; Phenosafranine, chloride; Phenosafrinine; Phenosofranine; Phenosofrinine; 3,7-Diamino-5-phenylphenazinium chloride; Safranin B Extra; Safrinin B Extra; Schultz No. 958; UNII-47U3T2FC2W; C.I. 50200; Phenazinium, 3,7-diamino-5-phenyl-, chloride; 47U3T2FC2W; CHEBI:33601; 10-phenylphenazin-10-ium-2,8-diamine;chloride; MFCD00036335; C18H15ClN4; Phenazinium,7-diamino-5-phenyl-, chloride; WLN: T C666 BK INJ BR& EZ MZ &G; NSC 9855; EINECS 201-387-0; WLN: T C666 BK INJ BR& EZ MZ &G &9/26; NSC 215209; Phenosafranin(CI 50200); SCHEMBL41415; CHEMBL1968093; NSC9855; Phenosafranin, Dye content 80 %; DTXSID701001694; AMY22408; NSC-9855; NSC215209; AKOS015902749; MCULE-9739570815; NSC-215209; FT-0673708; X6897; Phenazinium,2,8-diamino-10-phenyl-,chloride(1:1); Phenazinium,2,8-diamino-10-phenyl-, chloride (1:1); Q11697891"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9855	.	.	.	.	322.8	C18H15ClN4	68.8	355	.	23	2	4	1	"InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H"	C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]	SOUHUMACVWVDME-UHFFFAOYSA-N
DG50513	Fotretamine	65800	"Fotretamine; Fotrin; Photrinum; Fortrin; Photrine; 37132-72-2; UNII-7Z7670589C; Monomorpholine, pentaethyleneiminotriphosphonitrile; MLS003115104; 12712-32-2; NSC-216135; NCGC00160420-01; Photrin; 7Z7670589C; 4-[2,4,4,6,6-pentakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine; Fotretamine [INN]; Fotretaminum [Latin]; Fotretamina [Spanish]; Fotretamina; Fotretaminum; NSC 216135; BRN 1057273; 2,2,4,4,6-Pentaethylenimino-6-morpholino-cyclotriphosphazatrien; DSSTox_CID_28613; DSSTox_RID_82883; DSSTox_GSID_48687; 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-; CHEMBL471525; SCHEMBL2038570; DTXSID5048687; 2,2,4,4,6-pentaethyleneimino-6-morpholinocyclotriphosphazatriene; ZINC8214568; Tox21_113075; NSC216135; STK675369; Methyl(S)-1-Boc-3-piperidineacetate; AKOS005593876; MCULE-1619516162; NCGC00160420-02; 2,2,4,4,6-Pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-1,3, 5,2,4,6-triazatriphosphorine; 2,2,4,4,6-Pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-morpholino-1,3,5,2,4,6-triazatriphosphorine; NCI60_001806; SMR001830687; CAS-37132-72-2; SR-01000884003; SR-01000884003-1; Q27269062; 1,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-; 2,2,4,4,6-pentakis(aziridin-1-yl)-6-(morpholin-4-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine; 4-[2,4,4,6,6-penta(1-aziranyl)-1,3,5,2lambda,4lambda,6lambda-triazatriphosphinin-2-yl]morpholine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	216135	.	.	.	.	431.35	C14H28N9OP3	64.599	751	0.5	27	0	10	6	"InChI=1S/C14H28N9OP3/c1-2-18(1)25(19-3-4-19)15-26(20-5-6-20,21-7-8-21)17-27(16-25,22-9-10-22)23-11-13-24-14-12-23/h1-14H2"	C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7	SCGZIPCHOAVGCL-UHFFFAOYSA-N
DG50514	Steffimycin	66363	"Steffimycin; Steffisburgensimycin; Antibiotic U 20661; 11033-34-4; NSC93419; 4-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione; U 20661; Streptomyces steffisburgensis var. steffisburgerensis sp.n. antibiotic; NSC-93419; Steffimycin(USAN; Steffisburgensimycin*; Steffimycin (USAN/INN); CHEMBL29627; NCI60_042083; D05924; 1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methylhexopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2-O-methylhexopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-; 3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 6-deoxy-2-O-methylhexopyranoside #; 4-(4,5-Dihydroxy-3-methoxy-6-methyl-tetrahydro-pyran-2-yloxy)-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydro-2H-naphthacene-1,6,11-trione; 4-(4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93419	.	.	.	.	574.5	C28H30O13	199	1040	0.3	41	5	13	5	"InChI=1S/C28H30O13/c1-9-18(30)22(34)24(38-4)27(40-9)41-23-17-13(25(35)28(2,36)26(23)39-5)8-12-16(21(17)33)20(32)15-11(19(12)31)6-10(37-3)7-14(15)29/h6-9,18,22-24,26-27,29-30,33-34,36H,1-5H3"	CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O	HWMJTJZEJBSVCG-UHFFFAOYSA-N
DG50515	Anthelmycin	66365	"Anthelmycin; Hikizimycin; 12706-94-4; NSC337588; 4-amino-1-[5-amino-6-[1-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6-pentahydroxyhexyl]-3,4-dihydroxyoxan-2-yl]pyrimidin-2-one; Antelmycin (INN); NSC-337588; CHEMBL2001051; 2(1H)-Pyrimidinone, 4-amino-1-[4-amino-6-O-(3-amino-3-deoxy-.beta.-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-.beta.-D-gluco-undecopyranosyl]-; NCI60_002962; C22192; D02951"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337588	.	.	.	.	583.5	C21H37N5O14	341	930	-8.5	40	13	16	10	"InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)"	C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(C(C(C(C(CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N)O)O	VQQSDVBOXQHCHU-UHFFFAOYSA-N
DG50516	Methylestradiol	66413	"Methylestradiol; 17-Methylestradiol; 302-76-1; UNII-08IS5358PS; 17-alpha-Methyloestradiol-17-beta; CHEMBL1627631; CHEBI:34179; 08IS5358PS; 17alpha-Methylestradiol; (8R,9S,13S,14S,17S)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol; 17.alpha.-Methylestradiol; EINECS 206-128-5; NSC 52245; SCHEMBL3867797; DTXSID401016541; NSC52245; ZINC4721763; BDBM50369743; EM-519; NSC-52245; Q27115877; Estra-1,5(10)-triene-3,17.beta.-diol, 17-methyl-; Estra-1,3,5(10)-triene-3,17beta-diol, 17-methyl- (8CI); Estra-1,5(10)-triene-3,17-diol, 17-methyl-, (17.beta.)-; Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52245	.	.	.	.	286.4	C19H26O2	40.5	422	4.2	21	2	2	0	"InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C3C=CC(=C4)O	JXQJDYXWHSVOEF-GFEQUFNTSA-N
DG50517	Xanthoxyletin	66548	"Xanthoxyletin; 84-99-1; Xanthoxylin N; 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one; UNII-69MPX4M5VD; 69MPX4M5VD; NSC 35542; Xanthoxylin N; CHEBI:69929; 5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one; Xanthoxyloin; NSC 35542; MLS000876794; CHEMBL501358; MEGxp0_001370; SCHEMBL5793283; ACon1_000545; DTXSID70232891; HMS2269F07; NSC35542; ZINC1668225; BDBM50428432; NSC-35542; AKOS032962595; MCULE-7060224168; NCGC00168976-01; NCI60_003203; SMR000440571; XX163678; 5-methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one; BRD-K28556256-001-01-3; Q27138273; 2H,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-; 2-Propenoic acid,2-dimethyl-2H-1-benzopyran-6-yl)-, .delta.-lactone; 2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5-methoxy-8,8-dimethyl-; 5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one,9CI; NCGC00168976-02!5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35542	.	.	.	.	258.269	C15H14O4	44.8	437	2.8	19	0	4	1	"InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3"	CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	JSJIIHRNDMLJGK-UHFFFAOYSA-N
DG50518	"Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-"	66662	"Antioxidant 80; 90-68-6; Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-; NSC62914; UNII-K720MI5DT8; Phenol, 2,6-bis((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methyl-; K720MI5DT8; 2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol; NSC-62914; 2,6-BIS[[3-(TERT-BUTYL)-2-HYDROXY-5-TOLYL]METHYL]-4-METHYLPHENOL; Mesitol,.alpha.6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-; 2,6-Bis((3-(tert-butyl)-2-hydroxy-5-tolyl)methyl)-4-methylphenol; Phenol,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-; NSC67516; EINECS 202-011-8; NSC 62914; NCIStruc1_001191; NCIStruc2_001350; SCHEMBL39149; CHEMBL1481029; DTXSID2059013; KUC110437N; NCI62914; ZINC1691387; CCG-37269; NCGC00013736; NSC-67516; 2,6-BIS(3-TERT-BUTYL-2-HYDROXY-5-METHYLBENZYL)-4-METHYLPHENOL; AKOS024428965; MCULE-5556861395; NCGC00013736-02; NCGC00096847-01; KSC-261-77-2; NCI60_009464; 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol; p-Cresol, 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl); 2,6-bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)-4-methylphenol; 2,6-bis(2'-hydroxy-3'-tert-butyl-5-methylbenzyl)-4-methylphenol; 2,6-di (3-tert-butyl-5-methyl-2-hydroxybenzyl) -4-methylphenol; Mesitol, .alpha.2,.alpha.6-bis(5-tert-butyl-6-hydroxy-m-tolyl)-; Mesitol, alpha2,alpha6-bis(5-tert-butyl-6-hydroxy-m-tolyl)- (8CI); 6,6'-((2-Hydroxy-5-methyl-1,3-phenylene)bis(methylene))bis(2-(tert-butyl)-4-methylphenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62914	.	.	.	.	460.6	C31H40O3	60.7	592	9.1	34	3	3	6	"InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3"	CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O	LKALLEFLBKHPTQ-UHFFFAOYSA-N
DG50519	4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide	66718	"92-76-2; 4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide; n-(4-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide; Naphthol AS-TR; Naphtanilide TR; Naphthoide TR; Azoground TR; Naphtazol TR; Solunaptol CTL; Solunaptol CTX; Brenthol CT; Acna Naphthol T; Cibanaphthol RCT; Sanatol TR; Naftolo MTR; Amarthol AS-TR; Tulathol AS-TR; Naphtol AS-TR; Daito Grounder TR; Naphtol AS-TRLL; Azoic Coupling Component 8; Anthonaphthol AS-TR; Naphtol AS-TR Supra; N-(4-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide; Amanil Naphthol AS-TR; Naphthol AS-TR Dispersible; 2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-hydroxy-; C.I. Azoic Coupling Component 8; C.I. 37525; 2-Naphtho-o-toluidide, 4'-chloro-3-hydroxy-; EINECS 202-187-6; NSC 50686; NCIOpen2_007776; SCHEMBL825861; DTXSID2059065; ZINC57431; AMY31438; N-(4-chloro-2-methyl-phenyl)-3-hydroxy-naphthalene-2-carboxamide; NSC50686; NSC59807; NSC-50686; NSC-59807; 2,2-diethoxyethylsulfanylmethylbenzene; AKOS003381950; MCULE-2719482959; s12002; C.I.37525; DB-057327; CS-0321823; FT-0631455; 3-hydroxy-2-naphthoic 4-chloro-2-methylanilide; 4\\'-Chloro-3-hydroxy-2\\'-methyl-2-naphthanilide; A844331; 2-Naphtho-o-toluidide, 4'-chloro-3-hydroxy- (8CI); 5-BROMO-6-CHLORO-3-INDOLYLBETA-D-GLUCURONIDECYCLOHEXYLAMMONIUMSALT"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50686	.	.	.	.	311.8	C18H14ClNO2	49.3	403	5.2	22	2	2	2	"InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)"	CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O	PSRNXESQSJEQMN-UHFFFAOYSA-N
DG50520	4'-Chloro-3-hydroxy-2-naphthanilide	66720	"Naphthol AS-E; 92-78-4; 4'-Chloro-3-hydroxy-2-naphthanilide; N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide; Azoic Coupling Component 10; 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-; Amanil Naphthol AS-E; Naphtanilide E; Cibanaphthol RC; Naphtoelan E; Naphtazol E; Sanatol E; Daito Grounder E; Acna Naphthol PC; Amarthol AS-E; Tulathol AS-E; Hiltonaphthol AS-E; N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide; Naphthol ACNA PC; C.I. Azoic Coupling Component 10; Naphtol AS-E Supra; nAS-E; C.I. 37510; UNII-8V561WAE43; CHEMBL65653; 8V561WAE43; N-(4-chlorophenyl)-3-hydroxy-naphthalene-2-carboxamide; EINECS 202-189-7; NSC 50684; CBMicro_013654; EC 202-189-7; Oprea1_676950; SCHEMBL2743095; DTXSID7059066; OHAXNCGNVGGWSO-UHFFFAOYSA-; ZINC291003; NSC50684; SMSF0005400; BDBM50091999; MFCD00021639; NSC-50684; NSC751298; AKOS008973402; CB05876; MCULE-5600590222; NSC-751298; 2-Naphthanilide, 4'-chloro-3-hydroxy-; BIM-0013553.P001; C.I.37510; DB-057331; HY-104068; 4'-CHLORO-3-HYDROXY-2-NAPTHANILIDE; CS-0028070; FT-0631456; 2-Naphthanilide, 4'-chloro-3-hydroxy- (8CI); 021N639; A844347; SR-01000200943; SR-01000200943-1; W-100272; N-(4-Chlorophenyl)(3-hydroxy(2-naphthyl))carboxamide; N-(4-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide; Q27271063; 3-Hydroxy-naphthalene-2-carboxylic acid (4-chloro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	751298	.	.	.	.	297.7	C17H12ClNO2	49.3	368	4.8	21	2	2	2	"InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O	OHAXNCGNVGGWSO-UHFFFAOYSA-N
DG50521	4-Chloro-3-nitrophenyl methyl sulfone	66796	"97-07-4; 4-Chloro-3-nitrophenyl methyl sulfone; 1-chloro-4-(methylsulfonyl)-2-nitrobenzene; 3-Nitro-4-chloro phenyl methyl sulfone; Benzene, 1-chloro-4-(methylsulfonyl)-2-nitro-; 1-Chloro-4-(methylsulphonyl)-2-nitrobenzene; 1-chloro-4-methylsulfonyl-2-nitrobenzene; 2-nitro-4-methylsulfonylchlorobenzene; 2-chloro-5-methylsulfonylnitrobenzene; 3-Nitro-4-chlorophenyl methyl sulfone; (4-Chloro-3-nitrophenyl) methyl sulfone; UNII-2CL5F050J7; 2CL5F050J7; 1-chloro-4-methanesulfonyl-2-nitrobenzene; 1-Chloro-4-methanesulfonyl-2-nitro-benzene; NSC25818; EINECS 202-557-7; NSC 25818; 2-MORPHOLINOPYRIDINE96; SCHEMBL1097803; DTXSID7059147; AMY3553; ALBB-023149; ZINC1509333; 4-methylsulfonyl-2-nitrochlorobenzene; MFCD00039754; NSC-25818; STL356763; 2-chloro-5-methylsulphonylnitrobenzene; 4-chloro-3-nitrophenyl-methyl sulfone; AKOS000115071; AC-4576; CS-W010324; MCULE-6557797798; 2-Chloro-5-(methylsulfonyl)nitrobenzene; Sulfone, 4-chloro-3-nitrophenyl methyl; AS-13446; I295; 3-NITRO-4-CHLORO phenylmethyl SULFONE; DB-057662; FT-0618094; 1-chloranyl-4-methylsulfonyl-2-nitro-benzene; 1-chloro-4-(methylsulfonyl)-2-nitro-benzene; EN300-01530; Sulfone, 4-chloro-3-nitrophenyl methyl (8CI); 097N074; A845679; W-100119; Q27894519; (4-chloro-3-nitrophenyl)(methyl)dioxo-lambda~6~-sulfane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25818	.	.	.	.	235.65	C7H6ClNO4S	88.3	318	1.5	14	0	4	1	"InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3"	CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]	JAANTSGNTKWLFA-UHFFFAOYSA-N
DG50522	"Bis(2,4-diamino-5-methylphenyl)methane"	66799	"97-22-3; Bis(2,4-diamino-5-methylphenyl)methane; Tetraaminoditolylmethane; Bis(2,4-TDA)methane; Methylenebis(toluenediamine); Bis(2,4-tolylenediamine)methane; 4,4'-methanediylbis(6-methylbenzene-1,3-diamine); Bis(3-methyl-4,6-diaminophenyl)methane; NSC7215; Bis-5,5'-(2,4,2',4'-tetraminotolyl)methane; UNII-MJ1JBD08F0; 4-[(2,4-diamino-5-methylphenyl)methyl]-6-methylbenzene-1,3-diamine; MJ1JBD08F0; NSC-7215; 5,4-toluenediamine); BIS-(2,4-DIAMINO-5-METHYLPHENYL)METHANE; Toluene-2, 5,5'-methylenedi-; Toluene-2, 5,5'-methylenebis-; 1, 4,4'-methylenebis[6-methyl-; NSC 37147; 4,6,6'-Tetraamino-3,3'-dimethyldiphenylmethane; BRN 3366624; 4,4',6,6'-Tetraamino-3,3'-dimethyldiphenylmethane; 5,5'-Methylenebis(2,4-toluenediamine); Bis(3-methyl-4,6-diaminophenyl) methane; Toluene-2,4-diamine, 5,5'-methylenedi-; Bis(2,4,2',4'-tetraamino-5,5'-tolyl)methane; 1,3-Benzenediamine, 4,4'-methylenebis(6-methyl-; Toluene-2,4-diamine, 5,5'-methylenebis-; NCIStruc1_000036; NCIStruc2_000228; 0-13-00-00342 (Beilstein Handbook Reference); CHEMBL1452316; SCHEMBL13498773; DTXSID70242657; NCI7215; NSC37147; ZINC1683373; CCG-37736; NCGC00013073; NSC-37147; AKOS022507305; NCGC00013073-02; NCGC00096197-01; NCI60_041537; FT-0663257; 2,2'-Methylenebis(4-methyl-1,5-benzenediamine); 1,3-Benzenediamine, 4,4'-methylenebis(6-methyl- (9CI); 4-[(2,4-DIAMINO-5-METHYL-PHENYL)METHYL]-6-METHYL-BENZENE-1,3-DIAMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7215	.	.	.	.	256.35	C15H20N4	104	268	1.8	19	4	4	2	"InChI=1S/C15H20N4/c1-8-3-10(14(18)6-12(8)16)5-11-4-9(2)13(17)7-15(11)19/h3-4,6-7H,5,16-19H2,1-2H3"	CC1=CC(=C(C=C1N)N)CC2=C(C=C(C(=C2)C)N)N	HGVQBXSOAUVVNX-UHFFFAOYSA-N
DG50523	1-Amino-5-benzoylaminoanthraquinone	67011	"1-Amino-5-benzoylaminoanthraquinone; 117-06-6; 1-Amino-5-benzamidoanthraquinone; 1-Benzamido-5-aminoanthraquinone; 5-Benzamido-1-aminoanthraquinone; Anthraquinone, 1-amino-5-benzamido-; N-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide; N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide; Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-; N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide; NSC13981; EINECS 204-169-3; NSC 13981; SCHEMBL1982461; DTXSID6059445; 1-Amino-5-benzoylaminoanthrachinon; ZINC3880275; 1-amino-5-benzoylamino-anthraquinone; NSC-13981; STK367475; AKOS001482345; MCULE-5895499517; Benzamide, N-(5-amino-1-anthraquinonyl)-; FT-0607333; AB00079346-01; 117A066; Benzamide, N-(5-amino-1-anthraquinonyl)- (8CI); W-108573; N-(5-Amino-9,10-dihydro-9,10-dioxoanthracen-1-yl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13981	.	.	.	.	342.3	C21H14N2O3	89.3	584	4.1	26	2	4	2	"InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)"	C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N	FWEQPMZEKHHFTB-UHFFFAOYSA-N
DG50524	"N,N-Diethyl-4-nitrosoaniline"	67115	"N,N-Diethyl-4-nitrosoaniline; 120-22-9; 4-Nitroso-N,N-diethylaniline; p-Nitrosodiethylaniline; N,N-Diethyl-p-nitrosoaniline; Benzenamine, N,N-diethyl-4-nitroso-; 4-Diethylaminonitrosobenzene; N,N-Diethyl-4-nitrosobenzenamine; NSC 5418; p-Nitroso-N,N-diethylaniline; Aniline, N,N-diethyl-p-nitroso-; Diethylnitrosoaniline; CCRIS 3087; EINECS 204-379-5; BRN 2804428; AI3-15392; p-Nitrosodiathylanilin; Diethyl-p-nitrosoaniline; 4-12-00-01559 (Beilstein Handbook Reference); Aniline,N-diethyl-p-nitroso-; SCHEMBL146443; Para-nitroso-N,N-diethylaniline; DTXSID3059507; NSC5418; Benzenamine,N-diethyl-4-nitroso-; NSC-5418; ZINC3861050; 3501AA; MFCD00002064; AKOS002318224; MCULE-9001226978; BS-43856; FT-0619299; N0260; D91662; W-109442; F3099-5847"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5418	.	.	.	.	178.23	C10H14N2O	32.7	149	2.1	13	0	3	3	"InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3"	CCN(CC)C1=CC=C(C=C1)N=O	OLNMJIHADFYHAK-UHFFFAOYSA-N
DG50525	"1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-"	67192	"128-81-4; 4,11-Diamino-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone; 4,11-diaminonaphtho[2,3-f]isoindole-1,3,5,10-tetrone; UNII-YG2LVB01V3; 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-; YG2LVB01V3; 1,4-Diaminoanthraquinone-2,3-dicarboximide; 1H-Naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-; 1,3-dicarboximide; 4,11-Diamino-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone; 4,11-diamino-1h-naphtho[2,3-f]isoindole-1,3,5,10(2h)-tetrone; EINECS 204-910-0; NSC115447; NSC 115447; 1,4-Diamino-2,3-anthraquinonedicarboximide; Oprea1_367660; Oprea1_641320; 1,3-anthraquinonedicarboximide; SCHEMBL1993098; CHEMBL1982238; DTXSID0059580; ZINC208158; 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarboximide; STL329057; AKOS022135468; MCULE-5048167040; NSC-115447; NCI60_000342; 2, 1,4-diamino-9,10-dihydro-9,10-dioxo-; 4,7-Diamino-5,6-phthaloylisoindoline-1,3-dione; W-109468; 1,10-dihydro-9,10-dioxo-2,3-anthracenedicarboximide; 1H-Naphth[2,3,5,10(2H)-tetrone, 4,11-diamino-; 4,11-Diamino-1h-naphtho[2,3-f] isoindole-1,3,5,10(2h)-tetraone; 4,11-diamino-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetraone; 2,3-Anthracenedicarboximide, 1,4-diamino-9,10-dihydro-9,10-dioxo- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115447	.	.	.	.	307.26	C16H9N3O4	132	566	1.4	23	3	6	0	"InChI=1S/C16H9N3O4/c17-11-7-8(12(18)10-9(11)15(22)19-16(10)23)14(21)6-4-2-1-3-5(6)13(7)20/h1-4H,17-18H2,(H,19,22,23)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N	UOBRDAVIVQKFCM-UHFFFAOYSA-N
DG50526	Indophenol blue	67235	"Indophenol blue; 132-31-0; Naphthol blue; C.I. 49700; 1(4H)-Naphthalenone, 4-[[4-(dimethylamino)phenyl]imino]-; N-(p-Dimethylaminophenyl)-1,4-naphthoquinoneimine; Indophenol blue cyan; 4-((4-(Dimethylamino)phenyl)imino)naphthalen-1(4H)-one; UNII-IFU74WR4XQ; p-(Dimethylamino)phenyl-1,4-naphthoquinoneimine; IFU74WR4XQ; 4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one; NSC 132125; N-(4-Dimethylaminophenyl)-1,4-naphthoquinomeimine; MFCD00041739; NSC132125; NSC-132125; 1,4-Naphthoquinone imine, N-(p-(dimethylamino)phenyl)-; N-(4-Dimethylaminophenyl)-1,4-naphthoquinoneimine; 1(4H)-Naphthalenone, 4-((p-(dimethylamino)phenyl)imino)-; 1(4H)-Naphthalenone, 4-((4-(dimethylamino)phenyl)imino)-; 136023-77-3; 1(4H)-Naphthalenone, 4-[[p-(dimethylamino)phenyl]imino]-; alpha-Naphthol Blue; EINECS 205-056-1; CI 49700; SCHEMBL574049; SCHEMBL1898632; DTXSID4059623; 1(4H)-Naphthalenone,4-[[4-(dimethylamino)phenyl]imino]-; 1, N-[p-(dimethylamino)phenyl]-; 6446AF; Indophenol Blue, Dye content 60 %; ZINC18099807; AKOS015894777; ZINC100060813; ZINC256124601; 1,2,3,5,6-Pentathiepane 99.0%; DB-042104; FT-0631767; I0208; D91102; A806414; J-006159; (4E)-4-(4-dimethylaminophenyl)iminonaphthalen-1-one; 4-[[4-(dimethylamino)-phenyl]imino]-naphthalen-1-one; Q34298933; 4-((4-(Dimethylamino)phenyl)imino)-1(4H)-naphthalenone; (E)-4-(4-(dimethylamino)phenylimino)naphthalen-1(4H)-one; 4-([4-(Dimethylamino)phenyl]imino)-1(4H)-naphthalenone #; (4E)-4-{[4-(Dimethylamino)phenyl]imino}naphthalen-1(4H)-one; 1(4H)-Naphthalenone, 4-((4-(dimethylamino)phenyl)imino)-, (E)-; 1(4H)-Naphthalenone, 4-((p-(dimethylamino)phenyl)imino)- (8CI); (17-acetoxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132125	.	.	.	.	276.3	C18H16N2O	32.7	444	4	21	0	3	2	"InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3"	CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23	VRZJGENLTNRAIG-UHFFFAOYSA-N
DG50527	3-Hydroxy-N-1-naphthyl-2-naphthamide	67241	"132-68-3; Naphthol AS-BO; 3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide; Acco Naphthol AS-BO; Cibanaphthol RN; Naphtanilide BO; Azonaphtol AN; Dragonthol BO; Naphthoide BO; Naphtoelan BO; Solunaptol ANL; Brenthol AN; Acna Naphthol F; Naphthol Acna F; Naphtol AS-boll; Sanatol BO; Naftolo MBO; Naphtazol 3B; Celcot RN; Azotol ANF; Amarthol AS-BO; Tulathol AS-BO; Ultrazol VII-BO; Naphtol AS-BO; 3-Hydroxy-N-1-naphthyl-2-naphthamide; Hiltonaphthol AS-BO; Mitsui naphthozol BO; Naphtanilide BO Supra; Amanil naphthol AS-BO; Anthonaphthol M 3B; C.I. Azoic Coupling Component 4; 1-(2',3'-Hydroxynaphthoylamino)naphthalene; C.I. 37560; 2-Naphthalenecarboxamide, 3-hydroxy-N-1-naphthalenyl-; Anthonaphthol M3B; NSC 37202; 3-Hydroxy-N-(1-naphthyl)-2-naphthamide; 2-Naphthamide, 3-hydroxy-N-1-naphthyl-; 3-Hydroxy-N-(naphthalen-1-yl)-2-naphthamide; 3-Hydroxy-2-naphthoic-.alpha.-naphthalide; Azonaphthol AN; 3-hydroxy-N-(naphthalen-1-yl)naphthalene-2-carboxamide; 3-Hydroxy-2-naphthoic-alpha-naphthalide; EINECS 205-075-5; BRN 1824371; naphthol as bo; 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide; 2-Hydroxy-3-naphthoic Acid 1-Naphthylamide; Azoic Coupling Component 4; Oprea1_463132; Oprea1_541435; 4-12-00-03097 (Beilstein Handbook Reference); SCHEMBL2743115; DTXSID8051671; 2-Naphthamide, 3-hydroxy-N-1-naphthyl- (6CI,7CI,8CI); ZINC391026; NSC37202; MFCD00043900; NSC-37202; STK367408; 3-hydroxy-n-1-naphtyl-2-naphthamide; AKOS005443921; MCULE-3390960284; AS-65781; R272; C.I.37560; 1-HYDROXY-3-NAPHTHOYL-1-NAPHTHAMINE; 3-Hydroxy-N-(1-naphthyl)-2-naphthamide #; CS-0324554; H0318; A806473; W-108312"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37202	.	.	.	.	313.3	C21H15NO2	49.3	451	5.5	24	2	2	2	"InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O	QGZGJNPVHADCFM-UHFFFAOYSA-N
DG50528	5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide	67275	"135-63-7; 5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide; Naphthol AS-KB; n-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthamide; Naphtanilide KB; Naphtol AS-KB; Acco Naphthol AS-KB; Naphthanilid KB; Naphtazol C; N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide; 2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-; Hiltonaphthol AS-KB; Acco Naf-Sol AS-KB; Amanil Naphthol AS-KB; C.I. Azoic Coupling Component 21; Azoic Coupling Component 21; MLS000738149; C.I. 37526; SMR000393909; N-(5-chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide; EINECS 205-207-1; NSC 37187; EC 205-207-1; cid_67275; 2-hydroxy-3-naphthoyl-(2'-methyl-5'-choro)aniline; SCHEMBL5319772; CHEMBL1544847; DTXSID1059654; BDBM61845; ZINC393856; NSC37187; MFCD00021636; NSC-37187; AKOS016008967; MCULE-1900023845; NCGC00246935-01; AS-68768; T235; C.I.37526; DB-042301; CS-0207041; FT-0631788; 2-Naphtho-o-toluidide, 5'-chloro-3-hydroxy-; D89491; N-(5-Chloro-o-tolyl)-3-hydroxy-2-naphthamide; 5'-Chloro-N-(3-hydroxy-2-naphthoyl)-o-toluidine; A806961; W-109483; 2-Naphtho-o-toluidide, 5'-chloro-3-hydroxy- (8CI); N-(5-chloro-2-methyl-phenyl)-3-hydroxy-2-naphthamide; N-(5-chloranyl-2-methyl-phenyl)-3-oxidanyl-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37187	.	.	.	.	311.8	C18H14ClNO2	49.3	403	5.2	22	2	2	2	"InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)"	CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O	XZOACPDZZYNJER-UHFFFAOYSA-N
DG50529	3-Hydroxy-3'-nitro-2-naphthanilide	67277	"135-65-9; 3-Hydroxy-3'-nitro-2-naphthanilide; 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide; Azoic Coupling Component 17; Naphthol AS-BS; Cibanaphthol RM; Irganaphthol RM; Naphtanilide BS; Naphthol AS-BS Supra; Dragonthol BS; Naphtazol B; Naphthanil BS; Naphthoide BS; Naphtoelan BS; Azoground BS; Azonaphtol MNA; Solunaptol MNL; Brenthol MN; Acna Naphthol M; Kambothol ASBS; Diathol BS; Celcot RM; Naftolo MBS; Azotol MNA; Azotol NMA; Amarthol AS-BS; Tulathol AS-BS; Ultrazol IV-BS; Naphtol AS-BS; Daito Grounder BS; 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide; Anthonaphthol AS-BS; Hiltonaphthol AS-BS; Mitsui Naphthozol BS; Naptanilide BS Supra; Acco Naphthol AS-BS; Naphtol AS-BS Supra; Amanil Naphthol AS-BS; C.I. Azoic Coupling Component 17; Naphthol AS-BS Dispersible; 2-Naphthalenecarboxamide, 3-hydroxy-N-(3-nitrophenyl)-; UNII-8K775B2J7E; CHEMBL65374; MLS000738144; C.I. 37515; 8K775B2J7E; C17H12N2O4; NSC37168; 2-naphthanilide; EINECS 205-209-2; NSC 37168; NAPHTHOLAS-BS; DSSTox_CID_24544; DSSTox_RID_80305; DSSTox_GSID_44544; Oprea1_145295; cid_67277; SCHEMBL2743106; DTXSID3044544; HMS2750J18; ZINC247785; Tox21_301464; BDBM50091995; MFCD00021637; NSC-37168; PNU-26370; 2-Hydroxy-3-Naphthoyl-m-Nitroaniline; 3-hydroxy-2-naphthoic m-nitroanilide; 3-Hydroxy-3\\'-nitro-2-naphthanilide; AKOS015914160; MCULE-2961526303; 2-Naphthanilide, 3-hydroxy-3'-nitro-; NCGC00246934-01; NCGC00255765-01; CAS-135-65-9; P683; SMR000393904; 2-Hydroxy-3-naphthoic Acid m-Nitroanilide; 3-HYDROXY-3'-NITRO-2-NAPTHANILIDE; C.I.37515; CS-0206908; H0314; MLS000738144-02; 2-Naphthanilide, 3-hydroxy-3'-nitro- (8CI); D90835; MLS-0292193.0001; 135H659; A806967; SR-01000200944; SR-01000200944-1; W-108261; (3-Hydroxy(2-naphthyl))-N-(3-nitrophenyl)carboxamide; Q27270667; 3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37168	.	.	.	.	308.29	C17H12N2O4	95.2	450	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O	YZJSKRBKHCLMQC-UHFFFAOYSA-N
DG50530	Laurolinium acetate	67354	"Laurolinium acetate; Laurodin; 146-37-2; 4-Amino-1-dodecylquinaldinium acetate; UNII-R01EZP92PU; N-Dodecyl-4-aminoquinaldinium acetate; R01EZP92PU; 1-dodecyl-2-methylquinolin-1-ium-4-amine;acetate; NSC-66214; Laurolinii acetas; Acetate de laurolinium [INN-French]; Acetato de laurolinio; Laurolinii acetas [INN-Latin]; Laurolinium acetate [INN:BAN]; Acetate de laurolinium; EINECS 205-668-9; Acetato de laurolinio [INN-Spanish]; NSC 66214; 1-Dodecyl-4-aminoquinaldinium acetate; lauroliniumacetat; Quinaldinium, N-dodecyl-4-amino-, acetate; 4-Amino-1-dodecyl-2-methylquinolinium acetate; Quinaldinium, acetate; Quinaldinium, 4-amino-1-dodecyl-, acetate; SCHEMBL1649412; CHEMBL2106374; DTXSID10163251; NSC66214; WLN: T66 BKJ B12 C1 EZ & Q & OV1; Q27287583; Quinolinium, 4-amino-1-dodecyl-2-methyl-, acetate (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66214	.	.	.	.	386.6	C24H38N2O2	70	343	.	28	1	3	11	"InChI=1S/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)"	CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]	WFENCVFYUBXRSH-UHFFFAOYSA-N
DG50531	5H-Quinindoline	67484	"6H-indolo[2,3-b]quinoline; 5H-Quinindoline; 243-38-9; 11H-10,11-Diaza-benzo[b]fluorene; 6h-indolo(2,3-b)quinoline; quinindoline; EINECS 205-954-3; NSC687969; Neuro_000432; 6H-indolo[2,3-b]chinolin; CHEMBL119830; SCHEMBL2422471; DTXSID00179028; ZINC1847615; MFCD01106359; STK354736; AKOS002302320; MCULE-1868267678; NSC-687969; AC-20952; NCI60_031753; CS-0200127; FT-0688225; A918774"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	687969	.	.	.	.	218.25	C15H10N2	28.7	291	3.8	17	1	1	0	"InChI=1S/C15H10N2/c1-3-7-13-10(5-1)9-12-11-6-2-4-8-14(11)17-15(12)16-13/h1-9H,(H,16,17)"	C1=CC=C2C(=C1)C=C3C4=CC=CC=C4NC3=N2	RDFSPMPXDYGXHP-UHFFFAOYSA-N
DG50532	Sulbentine	67686	"Sulbentine; Dibenzthione; 350-12-9; Carbothialdine; Dibenzthion; Afungin; Dibenzothione; Fungiplex; Refungine; Sulbentin; Noticin; Mecal; Carbothialdin D47; Sulbentine [INN]; D 47; UNII-D0NR12WK9J; 3,5-dibenzyl-1,3,5-thiadiazinane-2-thione; D0NR12WK9J; MLS003106337; CHEMBL151803; CHEBI:31477; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(phenylmethyl)-; Sulbentine (INN); NSC-150555; NCGC00160606-01; Sulbentinum; Sulbentina; Sulbentinum [INN-Latin]; Sulbentina [INN-Spanish]; SMR000040461; EINECS 206-497-2; NSC 150555; BRN 0544719; Dibenzthion (JAN); Cyto8C8; DIBENZATHIONE; 3,5-Dibenzyltetrahydro-2H-1,3,5-thiadiazine-2-thione; Tetrahydro-3,5-dibenzyl-2H-1,3,5-thiadiazine-2-thione; 3,5-Dibenzyl-2-thion-tetrahydro-1,3,5-thiadiazin [German]; Maybridge4_003705; DSSTox_CID_26257; DSSTox_RID_81484; DSSTox_GSID_46257; 3,5-Dibenzylperhydro-1,3,5-thiadiazine-2-thione; MLS001249428; MLS001249466; MLS006011652; SCHEMBL155101; 3,5-Dibenzyl-2-thion-tetrahydro-1,3,5-thiadiazin; DTXSID7046257; 2H-1,3,5-Thiadiazine-2-thione, 3,5-dibenzyltetrahydro-; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dibenzyl-; HMS1531I09; HMS2875M06; HY-B1133; Tox21_111932; BDBM50084132; NSC150555; ZINC19909326; AKOS002098909; CCG-199943; CS-4738; DB13671; MCULE-7852563562; CAS-350-12-9; 3,5-Dibenzyl-[1,3,5]thiadiazinane-2-thione; D01335; Q2364327; BRD-K72384124-001-01-5; BRD-K72384124-001-07-2; 2H-1,5-Thiadiazine-2-thione, 3,5-dibenzyltetrahydro-; 2H-1,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150555	.	.	.	.	314.5	C17H18N2S2	63.9	336	4.3	21	0	3	4	"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2"	C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3	QFVAWNPSRQWSDU-UHFFFAOYSA-N
DG50533	Melicopidine	68060	"Melicopidine; 475-91-2; NSC34757; 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; UNII-38R6F4CJ0M; MLS002702837; 38R6F4CJ0M; 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one; 4,11-Dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one; 4,11-Dimethoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one; 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; EINECS 207-502-0; NSC 34757; BRN 0335565; Melicopidene; NCIMech_000790; 4-27-00-06649 (Beilstein Handbook Reference); CHEMBL1864207; DTXSID3075410; CHEBI:167835; ZINC4522584; CCG-36017; CCG-36117; NSC-34757; NCI60_003089; SMR001566662; FT-0744683; [4-(Dimethylamino)phenyl]diazenesulfonicacidsodiumsalt; 1,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-; 4,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34757	.	.	.	.	313.3	C17H15NO5	57.2	472	2.9	23	0	6	2	"InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15(21-3)17-16(14(11)20-2)22-8-23-17/h4-7H,8H2,1-3H3"	CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC	TZZNUDMEMFBPQI-UHFFFAOYSA-N
DG50534	Isopimpinellin	68079	"Isopimpinellin; 482-27-9; 5,8-Dimethoxypsoralen; 5,8-Dimethoxypsoralene; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4,9-dimethoxypsoralen; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-; UNII-20GCF755G6; 5,8-Dimethoxy-6,7-furanocoumarin; NSC401288; 4,9-Dimethoxy-7H-furo(3,2-G) (1)benzopyran-7-one; CHEBI:28853; 20GCF755G6; 7H-Furo[3, 4,9-dimethoxy-; MFCD00017407; CCRIS 4347; NSC 217988; NSC 401288; Dimethylpsoralen; Spectrum_000624; SpecPlus_000154; 5, 8-Dimethoxypsoralene; Spectrum2_000308; Spectrum3_001232; Spectrum4_001442; Spectrum5_000023; Oprea1_132007; Oprea1_593894; BSPBio_002704; KBioGR_001923; KBioSS_001104; SPECTRUM300012; MLS000876836; DivK1c_006250; SCHEMBL498907; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; SPBio_000276; CHEMBL140796; MEGxp0_000706; ACon1_002361; DFMAXQKDIGCMTL-UHFFFAOYSA-; HSDB 8477; KBio1_001194; KBio2_001104; KBio2_003672; KBio2_006240; KBio3_002204; DTXSID30197457; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI); HMS2270M12; Isopimpinellin, analytical standard; ZINC314951; HY-N0769; BDBM50361386; CCG-38585; NSC217988; s9291; STK368476; AKOS000278000; Isopimpinellin (4,9-Dimethoxypsoralen); MCULE-5163280216; NSC-217988; NSC-401288; SDCCGMLS-0066520.P001; NCGC00095569-01; NCGC00095569-02; NCGC00095569-03; AC-34959; BS-16832; NCI60_003765; SMR000440593; 4,9-Dimethoxy-7-oxofuro[3,2-g]chromene; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; DB-051533; CS-0009794; FT-0603412; I0861; W1277; 5,9-dimethoxy-2H-furo[3,2-g]chromen-2-one; C02162; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one #; Isopimpinellin - Angelica archangelica (angelica); SR-01000778471; Q-100529; Q6086206; SR-01000778471-2; BRD-K72253829-001-02-8; BRD-K72253829-001-03-6; BRD-K72253829-001-07-7; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401288	.	.	.	.	246.21	C13H10O5	57.9	366	1.9	18	0	5	2	"InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3"	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	DFMAXQKDIGCMTL-UHFFFAOYSA-N
DG50535	"4H-Furo(3,2-g)(1)benzopyran-4,7,9-trione"	68083	"483-36-3; 4H-Furo(3,2-g)(1)benzopyran-4,7,9-trione; Bergaptenquinone; furo[3,2-g]chromene-4,7,9-trione; Psoralen quinone; 4H-Furo[3,2-g][1]benzopyran-4,7,9-trione; NSC401268; 5,8-dioxopsoralen; 4H-Furo[3,7,9-trione; CHEMBL1972913; SCHEMBL13781443; DTXSID90197478; ZINC1593954; NSC 401268; NSC-401268; 4H-Furo[3,2-g]chromene-4,7,9-trione; NCI60_003764; 4H-Furo[3,2-g]chromene-4,7,9-trione #; FT-0667637; 2-Propenoic acid, 3-(4,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, .delta.-lactone; 2-Propenoic acid,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, .delta.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401268	.	.	.	.	216.15	C11H4O5	73.6	471	1.1	16	0	5	0	InChI=1S/C11H4O5/c12-7-2-1-5-8(13)6-3-4-15-10(6)9(14)11(5)16-7/h1-4H	C1=CC(=O)OC2=C1C(=O)C3=C(C2=O)OC=C3	HKQPXEAYQPNPHV-UHFFFAOYSA-N
DG50536	"2,6-Dimethoxy-1,4-benzoquinone"	68262	"2,6-Dimethoxy-1,4-benzoquinone; 530-55-2; 2,6-Dimethoxy-p-benzoquinone; 2,6-Dimethoxyquinone; 2,6-Dimethoxybenzoquinone; 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione; 2,6-Dimethoxy-p-quinone; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-; 2,6-Dimethoxysemiquinone anions; NSC 24500; UNII-1Z701W789S; p-Benzoquinone, 2,6-dimethoxy-; 2,6-Dimethoxybenzo-1,4-quinone; 2,6-Dimethoxysemiquinone radicals; NSC24500; ghl.PD_Mitscher_leg0.4; MLS002207260; 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione; NSC 56336; NSC-56336; 1Z701W789S; SMR001306787; p-Benzoquinone,6-dimethoxy-; 2,4-dione, 2,6-dimethoxy-; DIMETHOXYBENZOQUINONE,6-; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9CI); 3,5-Dimethoxy-1,4-benzoquinone; 3,5-Dimethoxybenzoquinone; NSC 24500; DMBQ; EINECS 208-484-7; Spectrum_000723; 2, 6-Dimethoxyquinone; Maybridge1_002628; Spectrum2_000781; Spectrum3_000177; Spectrum4_001608; Spectrum5_000335; Quinone, 2,6-dimethoxy-; 2,6-Dimetoxy-p-benzoquinone; BSPBio_001673; KBioGR_001955; KBioSS_001203; SPECTRUM200413; cid_68262; DivK1c_001380; SCHEMBL570683; SPBio_000882; 2, 6-Dimethoxy-p-benzoquinone; CHEMBL448515; BDBM80763; HMS548P10; KBio2_001203; KBio2_003771; KBio2_006339; KBio3_001173; OLBNOBQOQZRLMP-UHFFFAOYSA-; 2,6-dimethoxy[1,4]benzoquinone; 3,5-Dimethoxy-1,4-benzoquinone; HMS1922P16; ZINC137119; 2, 6-Dimethoxy-1,4-benzoquinone; 2,6-dimethoxy-[1,4]benzoquinone; DIMETHOXYBENZOQUINONE,2,6-; NSC56336; CCG-40159; MFCD00016368; NSC-24500; AKOS015851594; FS-4243; MCULE-5661538939; SDCCGMLS-0066389.P001; CDS1_000340; 2,6-Dimethoxy-1,4-benzoquinone, 97%; NCGC00095215-01; NCGC00095215-02; NCGC00095215-03; NCGC00095215-04; 26547-64-8; NCI60_001958; DB-020224; D2706; FT-0610674; W2131; D90101; A829370; SR-05000002399; Q4596807; SR-05000002399-1; 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-); KIA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24500	.	.	.	.	168.15	C8H8O4	52.6	259	-0.1	12	0	4	2	"InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3"	COC1=CC(=O)C=C(C1=O)OC	OLBNOBQOQZRLMP-UHFFFAOYSA-N
DG50537	Azure B	68275	"Azure B; 531-55-5; Azure I; Methylene azure B; 3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium chloride; AZUR I; Trimethylthionine chloride; Methyleneazure; N,N,N'-Trimethylthionin; C.I. 52010; UNII-7C8BEL8WQV; Azure A chloride; Azure B (chloride); Azure b, tech grade; CHEBI:87639; 7C8BEL8WQV; 3-(Dimethylamino)-7-(methylamino)-phenothiazin-5-ium chloride; 3-(Dimethylamino)-7-(methylimino)-3H-phenothiazine hydrochloride; 3-Methylamino-7-dimethylaminophenzathonium chloride; Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride; CHEMBL3330736; Azure B (C.I. 52010); n-methyl-n-[7-(methylamino)-3h-phenothiazin-3-ylidene]methanaminium chloride; MFCD00011935; AzureB; Methylene Azure (VAN); N-methyl-N-(7-(methylamino)-3H-phenothiazin-3-ylidene)methanaminium chloride; Phenothiazin-5-ium,3-(dimethylamino)-7-(methylamino)-, chloride (1:1); Modr Kresylova BB [Czech]; Modr Kresylova BB; 1231958-32-9; AZUR B; NSC 9598; EINECS 208-511-2; Methylene Azure; azure-b; CCRIS 9314; Azzurro B; N,N,N' Trimethylthionin; SCHEMBL41927; SCHEMBL1814421; 3H-Phenothiazine, hydrochloride; CHEMBL1817784; DTXSID7040158; Azure B chlorideAzure B chloride; DTXSID40944111; NSC9598; AMY22372; HY-D0004; NSC-9598; 3H-Phenothiazine, 3-(dimethylamino)-7-(methylimino)-, hydrochloride; BDBM50055938; AKOS005287416; AKOS016011170; Azure B, prepared by direct synthesis; M001; CS-0009900; FT-0622539; A-9990; A870807; Q4058459; WLN: T C666 BS EY INJ EUN1 MN1&1 &GH; Azure B, certified by the Biological Stain Commission; WLN: T C666 BN ISJ FN1&1 LM1 &G &12/26; 7-(dimethylamino)-3-(methylamino)phenothiazin-5-ium chloride; Azure B, United States Pharmacopeia (USP) Reference Standard; N,N-Dimethyl-7-(methylamino)-3H-phenothiazin-3-iminium chloride; Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9598	.	.	.	.	305.8	C15H16ClN3S	52.7	498	.	20	1	4	1	"InChI=1S/C15H15N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H"	CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]	DNDJEIWCTMMZBX-UHFFFAOYSA-N
DG50538	Suberosin	68486	"Suberosin; 581-31-7; 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one; NSC31869; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)-; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)-; CHEMBL1928409; CHEBI:69041; 2H-1-Benzopyran-2-one, 7-methoxy-6-(3-methyl-2-butenyl)- (9CI); 7-Methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; NSC 31869; 7-methoxy-6-prenylcoumarin; MEGxp0_001424; SCHEMBL6273982; ACon1_000574; DTXSID20206820; HY-N1196; ZINC1664037; BDBM50361375; NSC-31869; AKOS028108564; MCULE-9562140872; AC-34687; NCI60_002737; CS-0016488; FT-0777160; W1275; Coumarin, 7-methoxy-6-(3-methyl-2-butenyl)- (8CI); Q27137382; 7-Methoxy-6-(3-methyl-2-butenyl)-2H-chromen-2-one #; 7-Methoxy-6-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; NCGC00168948-02!7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31869	.	.	.	.	244.28	C15H16O3	35.5	366	3.8	18	0	3	3	"InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3"	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	RSZDAYHEZSRVHS-UHFFFAOYSA-N
DG50539	Econazole nitrate	68589	"Econazole nitrate; 24169-02-6; Ifenec; Pevaryl; 68797-31-9; Epi-pevaryl; Gyno-pevaryl; Econazole (nitrate); Spectazole; Econazole nitrate salt; (+-)-Econazole nitrate; Gyno-Pevaryl 150; Palavale; NSC 243115; R 14827; MFCD00058160; R 14,827; SQ 13050; Econazole nitrate (Spectazole); MLS000028626; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid; NSC-243115; 24169-02-6 (NITRATE); SMR000058732; DSSTox_CID_5226; 1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; nitric acid; DSSTox_RID_77708; DSSTox_GSID_25226; Econazole mononitrate; EcoNail; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate; CCRIS 6031; NSC243115; 1-(2-[(4-Chlorophenyl)methoxy]-2-[2,4-dichlorophenyl]ethyl)-1H-imidazole; SR-01000003142; NCGC00018258-03; EINECS 246-053-5; Micogin; Ecoza; C18H16Cl3N3O4; 1-(2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate; 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate; Spectazole (TN); Prestwick_191; GYNORYL; Ecoza (TN); Econazole nitrate [USAN:USP:BAN:JAN]; Econazole Nitrate,(S); 1-[2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate; Opera_ID_1393; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate; CAS-24169-02-6; 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid; SCHEMBL36213; MLS001076561; MLS002222182; MLS002415728; Econazole nitrate (JAN/USP); SPECTRUM1501185; REGID_for_CID_68589; CHEMBL1201049; DTXSID6025226; HMS500F15; HMS1568N10; HMS1921P03; HMS2092L03; HMS2095N10; HMS2235C19; HMS3656C14; HMS3712N10; Pharmakon1600-01501185; BCP12552; HY-B0453; Tox21_110852; Tox21_200771; Tox21_303391; CCG-38966; NSC757882; s2535; AKOS015895218; Tox21_110852_1; AB02338; AC-1113; NSC 757882; NSC-757882; SQ13050; 1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazolium nitrate; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate; NCGC00018258-10; NCGC00089813-02; NCGC00094926-01; NCGC00094926-02; NCGC00094926-03; NCGC00094926-04; NCGC00257500-01; NCGC00258325-01; AS-13263; H755; SQ-13050; E0957; FT-0625644; FT-0630510; SW196500-3; VU0239797-5; C08069; D00881; R14827; 1H-Imidazole,4-dichlorophenyl]ethyl)-, nitrate; A817124; A836253; 1H-Imidazole,4-dichlorophenyl)ethyl]-, mononitrate; J-015380; SR-01000003142-2; SR-01000003142-3; Q27279621; 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate; Imidazole,4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-, mononitrate; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate (8CI); 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate;Econazole nitrate; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	757882	.	.	.	.	444.7	C18H16Cl3N3O4	93.1	404	.	28	1	5	6	"InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)"	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]	DDXORDQKGIZAME-UHFFFAOYSA-N
DG50540	Oxiperomide	68634	"Oxiperomide; 5322-53-2; Peromide; R 4714; UNII-WRO75M6RW2; 1-[1-(2-phenoxyethyl)piperidin-4-yl]-1,3-dihydro-2h-benzimidazol-2-one; 3-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-benzimidazol-2-one; WRO75M6RW2; MLS003115925; NSC313681; NSC-313681; R-4714; 1-(1-(2-Phenoxyethyl)-4-piperidyl)-2-benzimidazolinone; Oxiperomida; Oxiperomidum; Oxiperomide [USAN:INN]; Oxiperomidum [INN-Latin]; 1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone; Oxiperomida [INN-Spanish]; NSC 313681; Oxiperomide (USAN/INN); MLS006011550; SCHEMBL123291; ZINC1873; CHEMBL2059304; DTXSID30201306; 2-Benzimidazolinone, 1-[1-(2-phenoxyethyl)-4-piperidyl]-; BDBM50388674; PDSP1_000049; PDSP2_000049; AKOS008293760; MCULE-3614562036; SMR001831487; SMR004703316; CS-0077190; D02676; L000881; Q21547163; Z130192198; {1-[1-(2-Phenoxyethyl)-4-piperidyl]-2-benzimidazolinone}; 3-[1-(2-phenoxyethyl)-4-piperidyl]-1H-benzimidazol-2-one; 2-Benzimidazolinone, {1-[1-(2-phenoxyethyl)-4-piperidyl]-}; 2-Benzimidazolinone, 1-(1-(2-phenoxyethyl)-4-piperidyl)- (8CI); 1-(1-(2-Phenoxyethyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(1-(2-phenoxyethyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one; 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(2-phenoxyethyl)-4-piperidinyl)-; 2H-Benzimidazol-2-one,3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-; 1-(1-(2-phenoxyethyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 1-[1-(2-phenoxyethyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one; 2H-Benzimidazol-2-one, 1, {3-dihydro-1-[1-(2-phenoxyethyl)-4-piperidinyl]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313681	.	.	.	.	337.4	C20H23N3O2	44.8	444	3.6	25	1	3	5	"InChI=1S/C20H23N3O2/c24-20-21-18-8-4-5-9-19(18)23(20)16-10-12-22(13-11-16)14-15-25-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,21,24)"	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4	NVDBBGBUTKLRSN-UHFFFAOYSA-N
DG50541	Clanfenur	68684	"Clanfenur; 51213-99-1; UNII-KAM54NKT1Q; Clanfenur [INN]; KAM54NKT1Q; MLS002701735; Clanfenur (INN); NSC603108; NSC 603108; n-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide; Clanfenurum; N-((4-chlorophenyl)carbamoyl)-2-(dimethylamino)-6-fluorobenzamide; Clanfenurum [Latin]; NCIMech_000538; SCHEMBL93573; ZINC1167; CHEMBL1876799; DTXSID40965487; BCP20752; CCG-35671; AKOS032947354; NSC-603108; NCI60_004586; SMR001565331; N16879; Q27282152; 1-(p-Chlorophenyl)-3-(6-fluoro-N,N-dimethylanthraniloyl)urea; 1-(4-CHLOROPHENYL)-3-[2-(DIMETHYLAMINO)-6-FLUOROBENZOYL]UREA; N-[(4-Chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603108	.	.	.	.	335.76	C16H15ClFN3O2	61.4	428	3.9	23	2	4	3	"InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)"	CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl	SRLPZQAEBMZCIJ-UHFFFAOYSA-N
DG50542	Zoledronic acid	68740	"Zoledronic acid; Zoledronate; 118072-93-8; Zometa; Reclast; Aclasta; (1-Hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl)diphosphonic acid; CGP 42446; (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid; Zoledronic Acid Anhydrous; (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid; Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-; ZOL; CGP-42446; [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid); Orazol; UNII-70HZ18PH24; C5H10N2O7P2; ZOL 446; Anhydrous Zoledronic Acid; Reclast (TN); Zometa (TN); CHEMBL924; CHEBI:46557; [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid; 70HZ18PH24; CGP-42446A; NSC-721517; NCGC00159521-02; (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid; Zoledronic acid [USAN:INN:BAN]; Phosphonic acid, (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bis-; Zomera; 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid; Bisphosphonate 3; Zometa (Novartis); Aclasta and Reclast; Zoledronic Acid Teva; AK-156; Zoledronic Acid Medac; Zoledronic acid (INN); [1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bisphosphonic acid; zoledronic-acid; BPH 91; Zoledronate hydrate; Zoladrona acid mylan; ZOLEDRONIC; Zoledronic acid accord; [1-HYDROXY-2-(1H-IMIDAZOL-1-YL)-ETHYLIDENE]BISPHOSPHONIC ACID; Zoledronic Acid, Anhydrous; DSSTox_CID_22668; DSSTox_RID_80065; Zoledronic acid, Zoledronate; BIDD:PXR0134; DSSTox_GSID_42668; SCHEMBL19054; BIDD:GT0292; Zoledronic Acid (Zoledronate); GTPL3177; JMC515594 Compound 55; DTXSID0042668; BDBM12578; CGP42446A; HMS2089O09; BCP22750; CGP-4244; ZINC3803652; Tox21_111739; MFCD00867791; NSC721517; s1314; STL452893; AKOS005145739; AB07564; AC-1092; CS-1829; DB00399; HS-0091; MCULE-1604726355; NSC 721517; NCGC00159521-03; NCGC00159521-04; NCGC00159521-05; NCGC00159521-09; NCGC00159521-18; HY-13777; CAS-118072-93-8; FT-0601384; Y1607; D08689; H11422; S00092; AB01273947-01; AB01273947-02; AB01273947-03; AB01273947_04; 072Z938; A803876; Q218507; SR-05000001436; Q-201946; SR-05000001436-1; 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid; Z1691545083"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	721517	.	.	.	.	272.09	C5H10N2O7P2	153	327	-4.3	16	5	8	4	"InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)"	C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	XRASPMIURGNCCH-UHFFFAOYSA-N
DG50543	Imexon	68791	"Imexon; 59643-91-3; BM-06002; 4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one; MLS002702958; 4-Imino-1,3-diazabicyclo-[3.1.0]hexan-2-one; NSC313425; NSC-313425; NCGC00181304-01; Imexon (USAN/INN); DSSTox_CID_26895; DSSTox_RID_81997; DSSTox_GSID_46895; SCHEMBL154584; CHEMBL146428; GTPL8273; Amplimexon (proposed trade name); HMS3264B05; Tox21_112779; NSC714597; AKOS006273819; AOP-990001; CCG-213631; DB05003; NSC-714597; NCGC00389454-01; NCI60_002705; SMR001566772; BM 06 002; CAS-59643-91-3; 4-CHLORO-(ALPHA-PHENYL)-CINNAMICACID; D08932; AB01013867_03; 4-Imino-1,3-diazabicyclo-[3.1.0]-hexan-2-one; 643I913"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	714597	.	.	.	.	111.1	C4H5N3O	58.5	186	-1.4	8	1	1	0	"InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)"	C1C2N1C(=O)N=C2N	BIXBBIPTYBJTRY-UHFFFAOYSA-N
DG50544	4-Demethoxyadriamycin HCl	68837	"4-Demethoxyadriamycin HCl; 64363-63-9; NSC256438; NSC-256438; Medorubicin hydrochloride; 4 DMA HCl; CHEMBL1997266; DTXSID90867068; 3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside; 5, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-, hydrochloride; 5, 7-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-, hydrochloride, (7S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256438	.	.	.	.	513.5	C26H27NO10	197	929	1.3	37	6	11	4	"InChI=1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O	XVXGYZFARCOVHS-UHFFFAOYSA-N
DG50546	"1-Naphthalenol, 4-nitroso-"	69064	"4-nitrosonaphthalen-1-ol; 4-Nitroso-1-naphthol; 1-Naphthalenol, 4-nitroso-; 605-60-7; 1-Naphthol, 4-nitroso-; 4965-30-4; BRN 1946063; Naphthochinonoxim; 4-nitrosonaphthol; NSC5417; 4-Nitroso-(1)naphthol; 4-07-00-02424 (Beilstein Handbook Reference); SCHEMBL1032621; SCHEMBL2913621; DTXSID40209237; DTXSID70876193; NSC 5417; NSC-5417; NSC239653; ZINC17047101; NSC-239653; N-OH-1,4-NAPHTHOQUINONEMONIMINE; (4e)-4-(hydroxyimino)naphthalen-1(4h)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5417	.	.	.	.	173.17	C10H7NO2	49.7	195	2.7	13	1	3	0	"InChI=1S/C10H7NO2/c12-10-6-5-9(11-13)7-3-1-2-4-8(7)10/h1-6,12H"	C1=CC=C2C(=C1)C(=CC=C2O)N=O	ZVNOVIBCAIDQOE-UHFFFAOYSA-N
DG50547	"1,3-Benzenediol, 5-methyl-4-[(4-nitrophenyl)azo]-"	69095	"607-96-5; 4-Nitrobenzene-azo-orcinol; 1,3-Benzenediol, 5-methyl-4-[(4-nitrophenyl)azo]-; 4-(4-Nitrophenylazo)orcinol; NSC5066; 2,4-Dihydroxy-6-methyl-4'-nitroazobenzene; 5-methyl-4-[(4-nitrophenyl)diazenyl]benzene-1,3-diol; 4-(4-Nitrophenylazo)-5-methylresorcinol; 1,3-Benzenediol, 5-methyl-4-((4-nitrophenyl)azo)-; 1,3-Benzenediol, 5-methyl-4-(2-(4-nitrophenyl)diazenyl)-; 5-Methyl-4-(4-nitrophenylazo)resorcinol; 1,3-Benzenediol, 5-methyl-4-[2-(4-nitrophenyl)diazenyl]-; NSC 5066; EINECS 210-150-0; SCHEMBL2436862; CHEMBL1999169; DTXSID6060557; NIOSH/VH2180000; Orcinol, 6-(p-nitrophenylazo)-; NSC-5066; MFCD00014710; AKOS024332960; ZINC100742497; ZINC104041767; ZINC254598478; MCULE-5395736443; 1, 5-methyl-4-[(4-nitrophenyl)azo]-; NCI60_004221; 5-Methyl-6-((p-nitrophenyl)azo)resorcinol; 2, 4-Dihydroxy-6-methyl-4'-nitroazobenzene; N0324; VH21800000; Resorcinol, 5-methyl-6-((p-nitrophenyl)azo)-; T72693; 1,3-Benzenediol, 5-methyl-6-((4-nitrophenyl)azo)-; 1,3-Benzenediol, {5-methyl-4-[(4-nitrophenyl)azo]-}; 5-methyl-4-[(E)-(4-nitrophenyl)azo]benzene-1,3-diol; (E)-5-methyl-4-((4-nitrophenyl)diazenyl)benzene-1,3-diol; 5-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-1,3-benzenediol; 4-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-1,3-benzenediol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5066	.	.	.	.	273.24	C13H11N3O4	111	363	3.2	20	2	6	2	"InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3"	CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O	XDOOUKIUNUWEFT-UHFFFAOYSA-N
DG50548	Resorufin	69462	"Resorufin; 635-78-9; 7-Hydroxy-3H-phenoxazin-3-one; 7-Hydroxyphenoxazin-3-one; Resorufine; 3H-Phenoxazin-3-one, 7-hydroxy-; NSC 12097; NSC12097; MFCD00128991; Resorufin, High purity standard; CHEBI:51602; EINECS 211-241-8; BRN 0174850; Hydroxyphenazone; Resorufin-[d6]; Resorufin, 95%; US9216974,Resorufin; SCHEMBL8066; 4-27-00-02263 (Beilstein Handbook Reference); Resorufin, Dye content 95 %; CHEMBL1185321; DTXSID3060906; BCBcMAP01_000141; 7-Hydroxy-3H -phenoxazin-3-one; BDBM195591; 7-Hydroxy-3H-phenoxazin-3-one #; ZINC4428361; 6073AF; CCG-36357; NSC-12097; AKOS015916378; FS-5650; MCULE-2512838184; SMP1_000256; NCI60_000493; HY-123533; CS-0082928; R0012; T72749; A937219; Q27122674"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12097	.	.	.	.	213.19	C12H7NO3	58.9	422	1.1	16	1	4	0	"InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H"	C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2	HSSLDCABUXLXKM-UHFFFAOYSA-N
DG50549	Phenyl p-tolyl sulfone	69497	"Phenyl p-tolyl sulfone; 640-57-3; Benzene, 1-methyl-4-(phenylsulfonyl)-; 1-Methyl-4-(phenylsulfonyl)benzene; Sulfone, phenyl p-tolyl; 4-Methylphenyl phenyl sulfone; 1-(benzenesulfonyl)-4-methylbenzene; 4-Methyldiphenylsulfone; NSC633012; p-Tolyl phenyl sulfone; p-(Phenylsulphonyl)toluene; Phenylp-tolylsulfone; NSC 2724; EINECS 211-364-7; NSC 91059; NSC 633012; BRN 1872872; AI3-08945; 1-Benzenesulfonyl-4-methyl-benzene; 1-(benzenesulfonyl)-4-methyl-benzene; phenyl-4-tolyl sulfone; 4MePh-SO2-Ph; Phenyl p-tolyl sulphone; 4-Methyldiphenyl sulfone; PHENYL 4-TOLYLSULFONE; 4-06-00-02171 (Beilstein Handbook Reference); SCHEMBL891138; CHEMBL453261; DTXSID0060937; Phenyl (4-methylphenyl) sulfone; 1-benzenesulfonyl-4-methylbenzene; NSC2724; ZINC394735; NSC-2724; NSC91059; MFCD00025038; NSC-91059; 1-Methyl-4-(phenylsulfonyl)benzene #; AKOS003678637; MCULE-6045619082; NSC-633012; AS-57843; DB-054599; A8796; CS-0153043; FT-0632722; E75917"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2724	.	.	.	.	232.3	C13H12O2S	42.5	301	3.1	16	0	2	2	"InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2	YBRXHRWLEFCFEG-UHFFFAOYSA-N
DG50550	"2,1,3-Benzothiadiazol-4-amine"	69845	"767-64-6; 2,1,3-Benzothiadiazol-4-amine; 4-Aminobenzo-2,1,3-thiadiazole; 4-Amino-2,1,3-benzothiadiazole; 4-Aminopiazthiole; Benzo[c][1,2,5]thiadiazol-4-amine; Benzo[1,2,5]thiadiazol-4-ylamine; 2,1,3-Benzothiadiazole, 4-amino-; 7-Amino-2,1,3-benzothiadiazole; 2,1,3-Benzothiadiazole, 7-amino-; NSC73013; UNII-N93ZR5H5L1; N93ZR5H5L1; MFCD00005810; NSC-73013; 2,1,3-Benzothiadiazol-4-ylamine; EINECS 212-186-2; NSC 73013; BRN 0003551; AI3-60012; BTE; 2,1,3-Benzothiadiazol-4(1H)-imine; Maybridge1_004938; NCIStruc1_000017; NCIStruc2_000083; Oprea1_286470; WLN: T56 BNSNJ FZ; 2,1,3-benzothiadiazol-amine; 4-27-00-08093 (Beilstein Handbook Reference); MLS000762975; 2,3-Benzothiadiazol-4-amine; SCHEMBL396206; 4-Amino-2,3-benzothiadiazole; 7-Amino-2,3-benzothiadiazole; CHEMBL1447590; HMS555I10; DTXSID60227498; 2,3-Benzothiadiazole, 4-amino-; 2,3-Benzothiadiazole, 7-amino-; HMS2805B22; ZINC161237; ALBB-000349; AMY18769; CCG-36285; GEO-00070; NCGC00013801; STK091796; 4-Amino-2,1,3-benzothiadiazole-SIV; AKOS000111093; MCULE-3676154129; SDCCGMLS-0066137.P001; WT81959; 4-Amino-2,1,3-benzothiadiazole, 98%; NCGC00013801-02; NCGC00096911-01; 78902-11-1; BP-11190; K992; NCI60_041592; SMR000438262; TS-01998; DB-000211; A1385; BB 0217037; FT-0617556; J3.665.764B; 767A646; A838820; SR-01000597187; SR-01000597187-1; SR-01000597187-2; W-200501; Q27458542; F0266-1247; N-(2,5-dimethoxybenzyl)-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73013	.	.	.	.	151.19	C6H5N3S	80	130	1.1	10	1	4	0	"InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2"	C1=CC2=NSN=C2C(=C1)N	DRLGIZIAMHIQHL-UHFFFAOYSA-N
DG50551	Decafluorobenzophenone	70068	"Decafluorobenzophenone; 853-39-4; Bis(perfluorophenyl)methanone; Perfluorobenzophenone; Benzophenone, decafluoro-; Methanone, bis(pentafluorophenyl)-; Bis(2,3,4,5,6-pentafluorophenyl)methanone; C13F10O; decafluorbenzophenon; NSC96914; EINECS 212-717-8; Perfluorobenzophenone, 98%; SCHEMBL661258; CHEMBL2001102; DTXSID60234501; ZINC6827671; 0754AF; MFCD00000295; NSC 96914; NSC-96914; AKOS007930379; MCULE-5131818973; AS-41149; NCI60_042160; DB-056863; D1631; FT-0624475; Bis(2,3,4,5,6-pentafluorophenyl)methanone #; Q63395717"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96914	.	.	.	.	362.12	C13F10O	17.1	406	4.3	24	0	11	2	InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17	C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F	WWQLXRAKBJVNCC-UHFFFAOYSA-N
DG50552	"1,3,5-Triacryloylhexahydro-1,3,5-triazine"	70397	"959-52-4; 1,3,5-Triacryloylhexahydro-1,3,5-triazine; Triacrylformal; Fixierer P; Triacryloylhexahydro-s-triazine; Triacryloylperhydrotriazine; Triacryloylhexahydrotriazine; Tri(N-acryloyl)hexahydrotriazine; Tris(N-acryloyl)hexahydrotriazine; Tris(acryloyl)hexahydro-s-triazine; 1,3,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-; 1,3,5-Triacryloyl-s-triazine; EK-8694; 1,3,5-Triacryloylhexahydrotriazine; 1,3,5-Triacryloylhexahydro-s-triazine; Hexahydro-1,3,5-triacryloyl-s-triazine; s-Triazine, 1,3,5-triacryloylhexahydro-; NSC 8185; 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one; Hexahydro-1,3,5-triacryloyltriazine; UNII-P69A1S76RB; NSC 63839; 1,3,5-Triacryloyltrimethylenetriamine; Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine; 1,3,5-Tris(acryloyl)hexahydro-s-triazine; s-Triazine, hexahydro-1,3,5-triacryloyl-; P69A1S76RB; NSC63839; DU 801;NSC 8185;Fixierer P; 1,3,5-triacryloyl-hexahydro-s-triazine; 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)trisprop-2-en-1-one; 2-Propen-1-one, 1,1',1''-(1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris-; 1,5-Triacryloyl-s-triazine; 1,5-Triacryloylhexahydrotriazine; Hexahydro-1,5-triacryloyltriazine; 1,5-Triacryloyltrimethylenetriamine; 1,5-Triacryloylhexahydro-s-triazine; Hexahydro-1,5-triacryloyl-s-triazine; s-Triazine,3,5-triacryloylhexahydro-; 1,5-Tris(acryloyl)hexahydro-s-triazine; Triacryloylhexa-1,3,5-hydrotriazine; 1,5-Triacryloylhexahydro-1,3,5-triazine; EINECS 213-501-6; BRN 0225908; 1,5-Triazine, hexahydro-1,3,5-tris(1-oxo-2-propenyl)-; AI3-50778; Hexahydro-1,3,5-tris(1-oxo-2-propenyl)-1,3,5-triazine; EC 213-501-6; NCIOpen2_002638; 4-26-00-00012 (Beilstein Handbook Reference); SCHEMBL214239; DTXSID8052645; ZINC62264; NSC8185; 1-(3,5-diacryloyl-1,3,5-triazinan-1-yl)-2-propen-1-one; HMS1667F02; AMY12551; NSC-8185; 1,3, 5-Triacryloylhexahydrotriazine; 1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one; CCG-51428; MFCD00035738; NSC-63839; STK696230; AKOS005524478; Hexahydro-1,3, 5-triacryloyltriazine; 1,3, 5-Triacryloyltrimethylenetriamine; MCULE-5012829636; 1,3,5-Triacryloyl-1,3,5-triazinane; BS-43826; 1,3,5-Triacryloyl-1,3,5-triazinane #; 1,3, 5-Tris(acryloyl)hexahydro-s-triazine; T1000; 1,3, 5-Triacryloylhexahydro-1,3,5-triazine; E78999; SR-01000089822; 1,3,5-Triacryloylhexahydro-1,3,5-triazine, 98%; SR-01000089822-1; SR-01000089822-2; Q27286283; 1,3,5-Triazine, hexahydro-1,3, 5-tris(1-oxo-2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63839	.	.	.	.	249.27	C12H15N3O3	60.9	343	0.6	18	0	3	3	"InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2"	C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C	FYBFGAFWCBMEDG-UHFFFAOYSA-N
DG50553	1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile	70418	972-20-3; 1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile; 1-benzyl-4-(4-chloroanilino)piperidine-4-carbonitrile; 1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrile; NSC73396; EINECS 213-545-6; SCHEMBL654710; DTXSID10242772; ZINC393833; NSC 73396; NSC-73396; AKOS024323084; MCULE-1874470927; 1-BENZYL-4-(4-CHLOROANILINO)-4-CYANOPIPERIDINE; 1-Benzyl-4-(4-chloro-phenylamino)-piperidine-4-carbonitrile; 1-Benzyl-4-[(4-chlorophenyl)amino]-4-piperidinecarbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73396	.	.	.	.	325.8	C19H20ClN3	39.1	408	4.2	23	1	3	4	"InChI=1S/C19H20ClN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2"	C1CN(CCC1(C#N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3	VVMOFVNFPBAHLP-UHFFFAOYSA-N
DG50554	3-Bromopyruvic acid	70684	"3-bromopyruvic acid; bromopyruvic acid; 1113-59-3; 3-bromo-2-oxopropanoic acid; 3-Bromo-2-oxopropionic acid; bromopyruvate; 3-bromopyruvate; Pyruvic acid, bromo-; Propanoic acid, 3-bromo-2-oxo-; UNII-63JMV04GRK; .beta.-Bromopyruvic acid; MFCD00002587; 63JMV04GRK; 3-bromo-2-oxo-propionic acid; Bromopyruvicacid; C3H3BrO3; 3-BrPA; EINECS 214-206-5; NSC 11731; NSC 62343; BRN 1746786; BPV; bromo-2-oxopropanoic acid; SCHEMBL8126; NCIOpen2_000241; 3-BP; 3-bromo-2-keto-propionic acid; CHEMBL177837; 3-Bromo-2-oxopropanoic acid #; 3-Bromopyruvic acid hydrate,98; DTXSID7040940; CHEBI:95046; CHEBI:131461; Hexokinase II Inhibitor II;3-BP; HMS3741K19; HMS3866H13; ACT09279; Hexokinase II Inhibitor II, 3-BP; NSC11731; NSC62343; ZINC1718542; NSC-11731; NSC-62343; NSC782120; s5426; Bromopyruvic acid, >=97.0% (T); AKOS015892643; AM84337; CCG-266336; CS-5517; MCULE-4768170572; NSC-782120; AS-16146; DA-15474; HY-19992; S691; B1153; FT-0623262; EN300-67360; Bromopyruvic acid; 3-bromo-2-oxopropanoic acid; 3-bromo-2-oxopropanoic acid;3-Bromopyruvic acid; J-511892; J-650255; Q3608257; BRD-K92980438-001-01-7; Hexokinase II Inhibitor II, 3-BP - CAS 1113-59-3; Z2690354216"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62343	.	.	.	.	166.96	C3H3BrO3	54.4	98.4	0.5	7	1	3	2	"InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)"	C(C(=O)C(=O)O)Br	PRRZDZJYSJLDBS-UHFFFAOYSA-N
DG50555	"2,2':6',2''-Terpyridine"	70848	"2,2':6',2''-Terpyridine; 1148-79-4; Tripyridyl; Tripyridine; 2,6-Bis(2-pyridyl)pyridine; terpy; 2,6-dipyridin-2-ylpyridine; TERPYRIDINE; 2,2',2''-Terpyridyl; 2,2',2''-Tripyridyl; 2,2',2''-Terpyridine; 2,2',2''-Tripyridine; Ba 2799; 2,6-Di(2-pyridyl)pyridine; 2,2'2''-Tripyridyl; TCMDC-123985; NSC 3905; UNII-G5E357ISH5; NSC 36755; 2,6-Di(pyridin-2-yl)pyridine; alpha,alpha',alpha''-Tripyridyl; NSC3905; [2,2';6',2'']Terpyridine; 2,2'6',2'-terpyridine; MLS000048666; G5E357ISH5; GNF-PF-4776; alpha,alpha',alpha''-Terpyridine; CHEBI:245199; NSC36755; 2,2''-Terpyridyl; 2,2''-Tripyridyl; 2,2''-Terpyridine; 2,2''-Tripyridine; SMR000060049; 1(2),2(2):2(6),3(2)-terpyridine; .alpha.,.alpha.''-Tripyridyl; 2,2':6',2''-Terpyridine;2,2':6',2''-Terpyridine; CCRIS 3429; EINECS 214-559-5; Alpha,Alpha,Alpha-Tripyridyl; 2,2/':6/',2/'/'-Terpyridine; a,a',a''-Tripyridyl; 6',2'']Terpyridine; Enamine_000115; 2,2:6,2-terpyridine; NCIMech_000074; 2,6-dipyridin-2-ylpyridin; SCHEMBL57442; YSWG795; cid_70848; CHEMBL89445; 2,2'6',2''-terpyridine; 2,2',6',2 -Terpyridine; 2,2':6',2'-Terpyridine; alp.,alp.',alp.'-Tripyridyl; 2,6-bis(2-pyridinyl)pyridine; ZINC9065; DTXSID2061567; BDBM38924; HMS1394F05; HMS2456B12; KUC105324N; BCP33988; NSC-3905; CCG-35469; KSC-8-139; MFCD00006213; NSC-36755; STK721799; 2,2\\':6\\',2\\'\\'-terpyridine; AKOS001032185; AM84346; CS-W004573; MCULE-7869708671; SC11759; 2,2',6',2''-TERPYRIDINE; .alpha.,.alpha.',.alpha.''-Tripyridyl; 2,2':6',2''-Terpyridine, 98%; .alpha.,.alpha.',.alpha.''-Terpyridine; CS-13012; NCI60_003699; DB-050437; FT-0600048; T0024; Z3407; 2,2'':6'',2''''-TERPYRIDINE; 2,2',2''-TERPYRIDINE, 98+ %; F11629; 148T794; Q408228; J-400124; 2,2':6',2''-Terpyridine, for spectrophotometric det. of Ag, Fe, Ru, >=98.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36755	.	.	.	.	233.27	C15H11N3	38.7	232	2.4	18	0	3	2	InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H	C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3	DRGAZIDRYFYHIJ-UHFFFAOYSA-N
DG50556	"1,2-Dibenzoylbenzene"	70875	"1,2-Dibenzoylbenzene; 1159-86-0; 1,2-Phenylenebis(phenylmethanone); 2-Benzoylbenzophenone; (2-benzoylphenyl)(phenyl)methanone; (2-benzoylphenyl)-phenylmethanone; Methanone, 1,2-phenylenebis[phenyl-; ortho-Dibenzoylbenzene; NSC6145; MLS000736538; Methanone, 1,2-phenylenebis(phenyl-; o-DIBENZOYLBENZENE; Phthalophenon; EINECS 214-597-2; o-benzoylbenzophenone; o--Dibenzoyl benzene; Benzene, o-dibenzoyl-; Maybridge4_002067; 1,2-bis(benzoyl)benzene; Methanone,1,1'-(1,2-phenylene)bis[1-phenyl-; Methanone, 1,1'-(1,2-phenylene)bis[1-phenyl-; MLS001181982; SCHEMBL700595; CHEMBL1719543; (2-benzoylphenyl)-phenylmethanon; OJLABXSUFRIXFL-UHFFFAOYSA-; DTXSID90151217; HMS1526N21; HMS2794G15; HMS2865D09; NSC 6145; NSC-6145; ZINC1036880; [2-(benzoyl)phenyl]-phenylmethanone; 2609AA; MFCD00003078; AKOS015839033; CCG-237437; MCULE-9155254238; NCGC00176957-01; AS-66434; SMR000445964; SMR000567712; DB-041299; FT-0611295; AE-641/00433012; BRD-K35692746-001-01-5; BRD-K35692746-001-09-8; Z1636233568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6145	.	.	.	.	286.3	C20H14O2	34.1	351	4.7	22	0	2	4	InChI=1S/C20H14O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14H	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3	OJLABXSUFRIXFL-UHFFFAOYSA-N
DG50557	"4,4'-Bis(dimethylamino)thiobenzophenone"	71045	"1226-46-6; 4,4'-Bis(dimethylamino)thiobenzophenone; Michler's thione; Methanethione, bis[4-(dimethylamino)phenyl]-; Michler's thioketone; Bis[4-(dimethylamino)phenyl]methanethione; p,p'-Bis(dimethylamino)thiobenzophenone; Thiomichler's Ketone; Bis(4-(dimethylamino)phenyl)methanethione; NSC 30656; UNII-P27X4MS4EV; P27X4MS4EV; Benzophenone, 4,4'-bis(dimethylamino)thio-; C17H20N2S; NSC30656; Methanethione, bis(4-(dimethylamino)phenyl)-; Bis(4-(dimethylamino)phenyl)methanethione (Sensitive spectrophotometric reagent for Au.etc, use for the determination of residual chlorine); N,N,N',N'-Tetramethyl-4,4'-diaminothiobenzophenone; Thio-michler's ketone; EINECS 214-962-6; Thiomicoler's ketone; bis(4-dimethylaminophenyl)methanethione; 4,4-Bis(Dimethylamino)Thiobenzophenone; 4,4'-bis-(Dimethylamino)thiobenzophenone; Maybridge3_002856; Oprea1_168625; Oprea1_556887; SCHEMBL196733; DTXSID3061633; HMS1439B18; ZINC162123; MFCD00040477; NSC-30656; STK368897; Thiomichler's ketone, technical grade; AKOS005444624; p,p'-Tetramethyldiaminothiobenzophenone; AM84359; CCG-237420; MCULE-8432101443; Benzophenone,4'-bis(dimethylamino)thio-; IDI1_014243; 4,4'-Bis(Dimethylamino)Thio Benzophenone; 4,4/'-Bis(dimethylamino)thiobenzophenone; 4,4\\'-Bis(dimethylamino)thiobenzophenone; FT-0617018; Z3745; Benzophenone, 4, 4'-bis(dimethylamino)thio-; 4,4'-Bis(dimethylamino)thiobenzophenone, 85%; Methanethione, {bis[4-(dimethylamino)phenyl]-}; 226B466; A891087; Benzophenone, 4,4'-bis(dimethylamino)thio- (8CI); W-108427; Q17173074; 4,4-Bis-(dimethylamino)thiobenzophenone; Thiomichlers ketone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30656	.	.	.	.	284.4	C17H20N2S	38.6	281	4.5	20	0	3	4	"InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3"	CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C	KFUJUTFTRXYQMG-UHFFFAOYSA-N
DG50558	Naphthol AS-BI	71060	"Naphthol AS-BI; 1237-75-8; 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide; 2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-; MLS000766261; 7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide; NSC-367089; SMR000528861; Naphthol AS BI; NAPHTHOLAS-BI; EINECS 214-980-4; NSC 367089; AI3-50089; cid_71060; Naphthol AS-BI, 94.0%; SCHEMBL6430894; Naphthol AS-BI,CI 37566; CHEMBL1543865; DTXSID3061637; BDBM50747; HMS2880I21; ZINC642588; Naphthol as-bi,c.i. no. 37566; MFCD00004077; NSC367089; AKOS015916258; MCULE-2178833165; Naphthol AS-Bi, C.I. no. 37566; NCGC00246802-01; LS-14621; C.I.37566; DB-041743; FT-0633505; F15102; N-1900; N-1901; A851428; 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthamide #; 7-Bromo-3-hydroxy-2-(N-2-methoxyphenyl)-naphthalenecarboxamide; 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide; 7-bromanyl-N-(2-methoxyphenyl)-3-oxidanyl-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367089	.	.	.	.	372.2	C18H14BrNO3	58.6	419	4.9	23	2	3	3	"InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)"	COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O	JIEINYQEXWLMCU-UHFFFAOYSA-N
DG50559	Vinburnine	71203	"Vinburnine; (-)-Eburnamonine; 4880-88-0; Vincamone; eburnamonine; l-Eburnamonine; Eburnal; Eburnamonine (-); Vinburnine [INN]; Eburnamonine (-)-form; UNII-G54D0HMY25; CH-846; CHEBI:4740; G54D0HMY25; 2580-88-3; Vinburnine (INN); NSC322920; NSC-322920; (+/-)-Eburnamonine; Eburnal ritardo; cis-Vincamone; DSSTox_CID_25119; DSSTox_RID_80685; DSSTox_GSID_45119; (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one; Vincamona [Spanish]; Vinburnina; Vinburninum; Vincanorine; Vincamona; DL-Eburnamonine; Vinburninum [INN-Latin]; Vinburnina [INN-Spanish]; (-)-Eburnamonina; (-)-Eburnamonina [Spanish]; (-)-Vincamone; 3-alpha,16-alpha-Eburnamonine; (+/-)-Vincamone; MLS000758467; EINECS 225-490-5; Vinburnine, (+/-)-; CH 846; NSC 322920; 3alpha,16alpha-Eburnamonine; Eburnalritardo; Vinburnine base; (3alpha,16alpha)-Eburnamenin-14(15H)-one; (3-alpha,16-alpha)-Eburnamin-14(15H)-one; Eburnamonine (+/-)-form [MI]; NCGC00014750-02; Cervoxan (TN); Prestwick_189; CAS-4880-88-0; Eburnamenin-14(15H)-one, (+/-)-; Spectrum_000379; Prestwick0_000607; Prestwick1_000607; Prestwick2_000607; Prestwick3_000607; Spectrum2_001504; Spectrum3_001199; Spectrum4_000751; Spectrum5_000938; NCIStruc1_000941; NCIStruc2_000870; BSPBio_000514; BSPBio_002877; GTPL345; KBioGR_001102; KBioSS_000859; MLS002153906; DivK1c_000411; SCHEMBL456385; SPBio_001547; SPBio_002733; BPBio1_000566; MEGxp0_001871; CHEMBL1892145; DTXSID6045119; ACon1_000004; HMS501E13; KBio1_000411; KBio2_000859; KBio2_003427; KBio2_005995; KBio3_002377; AOB5555; NINDS_000411; 3.alpha.,16.alpha.-eburnamonine; HMS1569J16; HMS2096J16; HMS2233K13; HMS3713J16; ACT03251; BCP02373; HY-B1180; Tox21_110060; CCG-36740; NCI322920; s5681; ZINC19796061; AKOS015896486; Tox21_110060_1; CS-4789; DB13793; FD10193; MCULE-1030644698; MCULE-3457597200; IDI1_000411; NCGC00262533-02; NCGC00262533-03; AC-26459; BS-16859; NCI60_002800; SMR001233255; (3 ,16 )-Eburnamenin-14(15H)-one; SBI-0051740.P002; Eburnamenin-14(15H)-one, (3a,16a)-; W6490; C09149; D08676; A871877; Q2526386; BRD-K40227168-001-03-8; BRD-K40227168-001-06-1; Eburnamin-14(15H)-one, (3-alpha,16-alpha)- (9CI); UNII-64UB2942IE component WYJAPUKIYAZSEM-MOPGFXCFSA-N; NCGC00262533-03_C19H22N2O_(3alpha,16alpha)-14,15-Dihydroeburnamenin-14-one; (31S,6aS)-6a-ethyl-31,4,5,6,6a,7-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-8(2H)-one; (41S,13aS)-13a-Ethyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one; (41S,13aS)-13a-Ethyl-41-methyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322920	.	.	.	.	294.4	C19H22N2O	25.2	492	3	22	0	2	1	"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1"	CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2	WYJAPUKIYAZSEM-MOPGFXCFSA-N
DG50560	Anaxirone	71218	"Anaxirone; 77658-97-0; 1,2,4-Triglycidylurazol; NSC-332488; UNII-36R61Y789T; 1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione; 36R61Y789T; TGU; Triglycidylurazole; Anaxirone [INN]; Anaxironum [Latin]; Anaxirona [Spanish]; Anaxironum; Anaxirona; EINECS 278-745-8; NSC 332488; Triglycidylurazol; triglycidyl urazole; Tris(2,3-epoxypropyl)bicarbamimide; N,N',N''-Triglycidyl-1,2,4-triazolidine-3,5-dione; 1,2,4-Triazolidine-3,5-dione, 1,2,4-tri(oxiranylmethyl)-; 1,2,4-Tris(oxiranylmethyl)-1,2,4-triazolidine-3,5-dione; 1,2,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-; 1,2,4-triglycidyl urazole; SCHEMBL93704; CHEMBL2105991; DTXSID10868451; NSC332488; DS-008196; Q27256591; 1,4-Triazolidine-3,5-dione, 1,2,4-tri(oxiranylmethyl)-; 1,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-; 1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-; 1,2,4-Tris[(oxiran-2-yl)methyl]-1,2,4-triazolidine-3,5-dione; 1,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-, .alpha.-isomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332488	.	.	.	.	269.25	C11H15N3O5	81.4	399	-1.4	19	0	5	6	"InChI=1S/C11H15N3O5/c15-10-12(1-7-4-17-7)11(16)14(3-9-6-19-9)13(10)2-8-5-18-8/h7-9H,1-6H2"	C1C(O1)CN2C(=O)N(N(C2=O)CC3CO3)CC4CO4	ZTXDHEQQZVFGPK-UHFFFAOYSA-N
DG50561	Dexrazoxane	71384	"Dexrazoxane; 24584-09-6; Zinecard; (S)-4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione); Cardioxane; ICRF-187; Dextrorazoxane; Dexrazoxanum; Dexrazoxano; Dexrazoxanum [INN-Latin]; Dexrazoxano [INN-Spanish]; ADR 529; ICRF 187; (+)-(S)-4,4'-Propylenedi-2,6-piperazinedione; Dexrazone; 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; (+)-1,2-Bis(3,5-dioxo-1-piperazinyl)propane; ADR-529; Desrazoxane; UNII-048L81261F; NSC169780; CHEBI:50223; 2,6-Piperazinedione, 4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-; NSC-169780; NSC 169780; MFCD00866449; Razoxanum [INN-Latin]; Razoxana [INN-Spanish]; 048L81261F; 4-[(2S)-1-(3,5-dioxopiperazin-1-yl)propan-2-yl]piperazine-2,6-dione; (S)-1,2-Bis(3,5-dioxo-1-piperazinyl)propane; DSSTox_CID_20647; DSSTox_RID_79520; DSSTox_GSID_40647; (S)-4,4'-(Propane-1,2-diyl)-bis(piperazine-2,6-dione); (+)-dexrazoxane; CAS-24584-09-6; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; HSDB 7319; 2,6-Piperazinedione, 4,4'-propylenedi-, (+)-; SR-01000883995; Dexrazoxane HCl (ICRF-187, ADR-529); BRN 5759131; Soluble ICRF (L-isosomer); Dexrazoxane [USAN:INN:BAN]; CCRIS 9394; Razoxane, d-; NCGC00164737-01; Dexrazoxane- Bio-X; Razoxane, (s)-; CHEMBL1738; Dexrazoxane ((S)-Razoxane); SCHEMBL18400; MLS006010158; BIDD:GT0068; Dexrazoxane (JAN/USAN/INN); (S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(2S)-propane-1,2-diyldipiperazine-2,6-dione; GTPL7330; DTXSID3040647; Dexrazoxane, >=95% (HPLC); AMY39004; HY-B0581; Tox21_112256; 2, 4,4'-propylenedi-, (+)-; s5651; ZINC87515509; AKOS015896392; Tox21_112256_1; (+)-1,5-dioxopiperazin-1-yl)propane; CCG-267131; DB00380; DS-1394; NCGC00263544-01; NCGC00263544-02; BD164365; Dexrazoxane, analytical reference material; NCI60_001367; SMR002529680; (S)-(+)-1,5-dioxopiperazin-1-yl)propane; D4227; D03730; J90038; AB01273932-01; AB01273932-02; AB01273932_03; 2,4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-; 584D096; A817380; Q524995; 2,4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-; J-015579; J-520219; SR-01000883995-1; SR-01000883995-2; SR-01000883995-5; (S)-4,4'-(propane-1,2-diyl)dipiperazine-2,6-dione; BRD-K07265709-003-01-5; (S)-4,4-(Propane-1,2-diyl)bis(piperazine-2,6-dione); 4,4'-[(2S)-1,2-Propanediyl]di(2,6-piperazinedione); UNII-5AR83PR647 component BMKDZUISNHGIBY-ZETCQYMHSA-N; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+)- (9CI); 6-hydroxy-4-[(2S)-2-(5-hydroxy-3-oxo-1,2,3,6-tetrahydropyrazin-1-yl)propyl]-2,3,4,5-tetrahydropyrazin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169780	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1"	C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-ZETCQYMHSA-N
DG50562	Etibendazole	71745	"Etibendazole; 64420-40-2; UNII-1XU086MM3H; 1XU086MM3H; NSC-313432; R-34,803; Etibendazol; Etibendazolum; Carbamic acid, (5-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-1H-benzimidazol-2-yl)-, methyl ester; Etibendazol [Spanish]; Etibendazolum [Latin]; Etibendazole [USAN:INN]; Etibendazole (USAN/INN); SCHEMBL635506; R 34,803; CHEMBL2104600; DTXSID00867074; ZINC5386462; NSC313432; Methyl 5-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)-2-benzimidazolecarbamate; NSC 313432; methyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate; D04094; R34803; R 34803; R-34803; Q27253122; Carbamic acid,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]-, methyl ester; [5-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamic acid methyl ester; methyl {6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl}carbamate; Methyl(5-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)-1H-benzimidazole-2-yl)carbamate; methyl{ 5-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl}carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313432	.	.	.	.	357.3	C18H16FN3O4	85.5	509	2.5	26	2	6	4	"InChI=1S/C18H16FN3O4/c1-24-17(23)22-16-20-14-7-4-12(10-15(14)21-16)18(25-8-9-26-18)11-2-5-13(19)6-3-11/h2-7,10H,8-9H2,1H3,(H2,20,21,22,23)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(OCCO3)C4=CC=C(C=C4)F	PEVOWKBJMJVUSV-UHFFFAOYSA-N
DG50563	Daniquidone	71750	"Daniquidone; Batracylin; 67199-66-0; 8-Aminoisoindolo[1,2-b]quinazolin-12(10H)-one; Bay H 2049; NSC-320846; NSC320846; UNII-E780TX33D2; 8-Amino-10H-isoindolo[1,2-b]quinazolin-12-one; Isoindolo(1,2-b)quinazolin-12(10H)-one, 8-amino-; CHEMBL114283; E780TX33D2; 8-Aminoisoindolo(1,2-b)quinazolin-12(10H)-one; Daniquidona; Daniquidonum; Daniquidonum [INN-Latin]; Daniquidona [INN-Spanish]; NSC 320846; CCRIS 6840; BAY H-2049; Daniquidone [INN:BAN]; BRN 0667315; d3-Batracylin; d4-Batracylin; D7-Batracylin; 8-aminoisoindolo(1,2-b)quinazolin-12(10H)one; Isoindolo[1, 8-amino-; NCIMech_000548; DSSTox_CID_31591; DSSTox_RID_97475; DSSTox_GSID_57802; SCHEMBL93613; ZINC3827; DTXSID3057802; Quinazolin-12(10H)-one der.; BAY-H 2049; BAY-H-2049; Tox21_113867; BDBM50037511; CCG-35968; NSC751453; NSC751454; NSC752895; DB12804; NSC-751453; NSC-751454; NSC-752895; NCGC00253752-01; NCI60_002776; CAS-67199-66-0; Q27276962; [1,2,3,4,6,7,9-D7]-8-amino-10,12-dihydro-isoindolo[1,2-b]quinazolin-12(10H)-one(11)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320846	.	.	.	.	249.27	C15H11N3O	58.7	433	1.4	19	1	3	0	"InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2"	C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43	SRIOCKJKFXAKHK-UHFFFAOYSA-N
DG50564	Mitozolomide	71766	"Mitozolomide; Azolastone; 85622-95-3; Mitozolamide; CCRG 81010; NSC 353451; NSC-353451; UNII-E3U7286V3W; M & B 39565; 8-Carbamoyl-3-(2-chloroethyl)imidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one; MLS003171125; E3U7286V3W; NSC353451; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide; Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; Mitozolomidum [Latin]; Mitozolomida; Mitozolomida [Spanish]; Mitozolomidum; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide; EINECS 287-943-3; Mitozolomide [INN:BAN]; BRN 3618072; M&B-39565; 8-carbamoyl-3-(2-chloroethyl)imidazo[5,1-d]-1,2,3,5-tetrazin-4(3h)-one; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide; Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; SCHEMBL97695; CHEMBL435951; DTXSID40234862; CCRG-81080; ZINC1433280; 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 46241-RP; NCI60_003169; SMR001875033; DB-056878; FT-0630937; Q6881926; 3-(2-chloroethyl)-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 8-Carbamoyl-3-(2-chloroethyl)-imidazo[5,1-d]-1,2,3,5-tetrazin-4-one; {Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,} 3-(2-chloroethyl)-3,4-dihydro-4-oxo-; 3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide; 3-(2-Chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetraazine-8-carboxamide #; 3-(2-chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; Imidazo[5,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353451	.	.	.	.	242.62	C7H7ClN6O2	106	348	-0.5	16	1	5	3	"InChI=1S/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)"	C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N	QXYYYPFGTSJXNS-UHFFFAOYSA-N
DG50565	Hydrastinine Hydrochloride	71833	"Hydrastinine Hydrochloride; 4884-68-8; HYDRASTININE HCL; Hydrastinine (hydrochloride); HYDRASTININE HCL(RG); 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;hydrochloride; NSC-93766; NSC-755892; SR-05000001543; Hydrastinine hydrochloride [NF]; Prestwick_920; EINECS 225-497-3; Hydrastininum muriaticum; Hydrastinine hydrochloirde; CAS-4884-68-8; DSSTox_CID_27854; DSSTox_RID_82607; C11H13NO3.HCl; DSSTox_GSID_47878; SPECTRUM310006; CHEMBL1517651; DTXSID0047878; HMS1568H11; Pharmakon1600-00310006; HY-B1181; NSC93766; Tox21_200396; 5864AF; CCG-40133; NSC 93766; NSC755892; CS-4790; NCGC00095862-01; NCGC00257950-01; SW197038-2; SR-05000001543-2; Q27289032; 1,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	755892	.	.	.	.	243.68	C11H14ClNO3	41.9	248	.	16	2	4	0	"InChI=1S/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H"	CN1CCC2=CC3=C(C=C2C1O)OCO3.Cl	DLNQCQJCIITVHC-UHFFFAOYSA-N
DG50566	Sicanina	71902	"siccanin; UNII-L702S858Z6; 22733-60-4; NSC 135048; L702S858Z6; NSC-135048; Sicanina; Siccanine; Siccaninum; NSC135048; Siccanin [INN:JAN]; Sicanina [INN-Spanish]; Siccanine [INN-French]; Siccaninum [INN-Latin]; CHEMBL3989494; CHEBI:32128; Q27282791; (13aS)-1,2,3,4,4abeta,5,6,6a,11bbeta,13bbeta-Decahydro-4,4,6abeta,9-tetramethyl-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol; 13H-Benzo(a)furo(2,3,4-mn)xanthen-11-ol, 1,2,3,4,4a,5,6,6a,11b,13b-decahydro-4,4,6a,9-tetramethyl-, (4aS-(4aalpha,6aalpha,11balpha,13aR*,13balpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135048	.	.	.	.	342.5	C22H30O3	38.7	560	4.9	25	1	3	0	"InChI=1S/C22H30O3/c1-13-10-14(23)17-15(11-13)25-21(4)9-6-16-20(2,3)7-5-8-22(16)12-24-18(17)19(21)22/h10-11,16,18-19,23H,5-9,12H2,1-4H3/t16-,18-,19-,21-,22-/m0/s1"	CC1=CC(=C2[C@H]3[C@H]4[C@](CC[C@@H]5[C@]4(CCCC5(C)C)CO3)(OC2=C1)C)O	UGGAILYEBCSZIV-ITJSPEIASA-N
DG50567	7-Hydroxystaurosporine	72271	"7-Hydroxystaurosporine; UCN-01; Ucn 01; 112953-11-4; UNII-7BU5H4V94A; UCN01; KRX-0601; (5s,6r,7r,9r,16r)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one; UCN-02; 7BU5H4V94A; NSC638850; NSC-638850; (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one; UCN; KW-2401; (5S,6R,7R,9R,16R)-16-Hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[; (5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14(5H)-one; NSC 638850; 1okz; 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)triinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-; GTPL7907; SCHEMBL1551632; CHEMBL1236539; BDBM17054; DTXSID20150238; KRX0601; ZINC3814435; (+)-UCN-01; DB01933; 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-beta,10-alpha,11-alpha,13-beta)-(+)-; NCI60_012974; hydroxy-methoxy-methyl-(methylamino)[ ]one; J-002880; Q27074035; 2,10,11,12,13-Hexahydro-3-hydroxy-10-methoxy-9-methyl- 11-(methylamino)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]-benzodiazonin-1-one; 9,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo [3,4-j][1,7]-benzodiazonin-1-one, 2,3,10,11,12,13- hexahydro-3-hydroxy-10-methoxy-9-methyl- 11-(methylamino)-, [3R-(3.alpha., 9.beta., 10.alpha.,11.alpha., 13.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638850	.	.	.	.	482.5	C28H26N4O4	89.7	935	2.7	36	3	5	2	"InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1"	C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC	PBCZSGKMGDDXIJ-HQCWYSJUSA-N
DG50568	Honokiol	72303	"Honokiol; 35354-74-6; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; NSC 293100; 3,5'-Diallyl-4,2'-dihydroxybiphenyl; Honokiol,(S); UNII-11513CCO0N; 3',5-Diallylbiphenyl-2,4'-diol; C18H18O2; CPD000387107; CHEMBL16901; CHEBI:5759; 3',5-diallyl-[1,1'-biphenyl]-2,4'-diol; 4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol; 11513CCO0N; 5,3'-Diallyl-biphenyl-2,4'-diol; MFCD00016674; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propenyl-; 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol; 2-(4-hydroxy-3-prop-2-enyl-phenyl)- 4-prop-2-enyl-phenol; 2-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol; SMR000387107; 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol; Honokiol, HO; 3',5-diallyl-2,4'-biphenyldiol; 5,3&prime; Honokiol - 95%; Honokiol, analytical standard; cid_72303; MLS000759481; MLS001048916; MLS001423980; MLS006011755; SCHEMBL133034; REGID_for_CID_72303; ZINC1536; GTPL11610; DTXSID30188845; 3',1'-biphenyl)-2,4'-diol; HMS2051C12; HMS2271J07; HMS3393C12; HMS3656G03; AMY40657; BCP28282; HY-N0003; 3',5'-Diallyl-2,4'-biphenyldiol; AC-486; BBL027819; BDBM50157304; NSC293100; s2310; STK801954; 3'',5-diallylbiphenyl-2,4''-diol; Honokiol, >=98% (HPLC), powder; 3,5'-diallyl-2',4-dihydroxybiphenyl; AKOS005622639; 3',5-Diallyl-2,4'-dihydroxybiphenyl; ACN-035410; CCG-100864; CS-1696; MCULE-5001549020; NC00114; NSC-293100; 5,3''-Diallyl-biphenyl-2,4''-diol; SMP2_000040; NCGC00163567-01; NCGC00163567-02; NCGC00163567-03; NCGC00163567-08; AS-15333; O900; XH163752; 5,3''''-Diallyl-biphenyl-2,4''''-diol; FT-0601638; H1309; N1672; SW197494-3; J10347; 354H746; A822747; SR-01000758208; Q-100425; Q5896650; SR-01000758208-5; {1,1'-Biphenyl]-2,4'-diol, 3,5-di-2-propenyl-; 3'',5-di-2-propenyl-1,1''-biphenyl-2,4''-diol; BRD-K98493452-001-01-6; 3',5-Di-2-propen-1-yl[1,1'-biphenyl]-2,4'-diol; Honokiol, European Pharmacopoeia (EP) Reference Standard; [1,1'-Biphenyl]-2,4'-diol, 3',5-di-2-propen-1-yl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293100	.	.	.	.	266.3	C18H18O2	40.5	325	5	20	2	2	5	"InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2"	C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C	FVYXIJYOAGAUQK-UHFFFAOYSA-N
DG50569	Chelerythrine chloride	72311	"Chelerythrine chloride; 3895-92-9; Chelerythrine hydrochloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride; UNII-7IC98TZ0PZ; Chelerythrine (chloride); 7IC98TZ0PZ; CHEMBL258893; MFCD00060717; Chelerythrinechloride; 1,2-Dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride; 3895-92-9 (chloride); 34316-15-9 (cation).; C21H18ClNO4; 1,2-Dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride; 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridiniumchloride; Chelerythrine HCl; 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride; NSC646662; 1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride; Chelerythrine, chloride; EINECS 223-444-9; NSC 36405; SR-01000075750; Chelerythrine cloride; Chelerythrine, hydrochloride; SCHEMBL195109; DTXSID70893481; BCPP000287; HMS3229C07; HMS3260B04; HMS3672K05; NSC36405; Tox21_500241; NSC-36405; AKOS016010038; BCP9000516; CCG-206741; CS-0205; LP00241; NSC-646662; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride (9CI); NCGC00093703-01; NCGC00260926-01; AC-34993; AS-17480; HY-12048; BCP0726000282; DB-049354; Chelerythrine Chloride - CAS 3895-92-9; EU-0100241; FT-0602998; V0358; Chelerythrine, hydroxide, hydrochloride (8CI); C 2932; Q-100414; Q-200824; Q-200825; SR-01000075750-1; Q27268347; [1,6-c]phenanthridinium, 1,2-dimethoxy-12-methyl-, chloride; 1,2-dimethoxy-n-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride; 1,2-Dimethoxy-12-methyl-[1,3]dioxolo[4\\',5\\':4,5]benzo[1,2-c]phenanthridin-12-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36405	.	.	.	.	383.8	C21H18ClNO4	40.8	516	.	27	0	5	2	"InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1"	C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]	WEEFNMFMNMASJY-UHFFFAOYSA-M
DG50570	Coptisine chloride	72321	"COPTISINE CHLORIDE; 6020-18-4; Coptisine, chloride; Coptisine (chloride); Coptisine hydrochloride; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, chloride; 6020-18-4 (chloride); NSC-119754; C19H14ClNO4; Q-100696; 6,7-dihydro-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,5-g]isoquinolin-5-ium chloride; Coptisin Chloride; Coptisine-chloride; NSC 119754; SCHEMBL154528; CHEMBL498722; Coptisine chloride, HPLC Grade; DTXSID00975628; BCP25760; EX-A4900; HY-N0736; MFCD00016676; NSC119754; AKOS015903376; Coptisine Chloride, >=98% (HPLC); CCG-268102; Coptisine chloride, analytical standard; CS-4825; Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride (8CI); AC-34919; Bis(methylenedioxy)protoberberine chloride; BS-17288; FT-0665166; N1701; X1110; A14541; Bis[1,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, chloride; 6,7-Dihydro-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium Chloride; Berbinium,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-, chloride (9CI); Q-100696; Q100696; Q 100696; NSC-119754; NSC119754; NSC 119754; 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chloride; 6,7-Dihydro-2H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119754	.	.	.	.	355.8	C19H14ClNO4	40.8	502	.	25	0	5	0	"InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1"	C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]	LUXPUVKJHVUJAV-UHFFFAOYSA-M
DG50571	Betulin	72326	"Betulin; 473-98-3; Betulinol; Trochol; Betuline; Betulol; Lup-20(29)-ene-3b,28-diol; Betulinic alcohol; Lup-20(29)-ene-3beta,28-diol; Lup-20(30)-ene-3beta,28-diol; UNII-6W70HN7X7O; NSC 4644; 6W70HN7X7O; CHEBI:3086; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; NSC-4644; MFCD00016802; (3beta)-lup-20(29)-ene-3,28-diol; (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; SR-05000002167; EINECS 207-475-5; lup-20(29)-ene-3 beta,28-diol; NSC4644; Betulinalkohol; AI3-62999; NSC692218; Lup-20(29)-ene-3,28-diol, (3beta)-; Betulinol (obsol.); Betulin, 23; Betulin, >=98%; Prestwick3_000990; Betulinol (obsol pound(c); Betulin, analytical standard; BSPBio_001059; CHEMBL23236; SCHEMBL131739; BPBio1_001165; MEGxp0_001726; ACon1_000091; BDBM23207; DTXSID101019934; HMS2098E21; EX-A3354; HY-N0083; ZINC3978650; s4754; Lup-20(29)-en-3 ,28-diol; Lup-20(29)-ene-3 ,28-diol; AKOS005267212; Lup-20(29)-ene-3beta ,28-diol; Lup-20(30)-ene-3beta ,28-diol; ACN-035289; CCG-208619; CS-6156; GS-3254; LMPR0106140005; NSC-692218; NCGC00168803-01; NCGC00168803-02; NCGC00168803-04; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; AB00513988; B0803; N1290; V0184; (3.beta.)-Lup-20(29)-ene-3,28-diol; C08618; Lup-20(29)-ene-3,28-diol, (3beta )-; 473B983; A827211; Q419726; Q-100501; SR-05000002167-2; SR-05000002167-3; BRD-K64874225-001-01-3; NCGC00168803-04_C30H50O2_Lup-20(29)-ene-3,28-diol, (3beta)-; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3 a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; (3aS,5bR,9S,11aR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol;Betulin"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4644	.	.	.	.	442.7	C30H50O2	40.5	786	8.3	32	2	2	2	"InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1"	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO	FVWJYYTZTCVBKE-ROUWMTJPSA-N
DG50572	"Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)"	72332	"26833-87-4; NSC141633; Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester); SCHEMBL14698329; HSCI1_000363; BRD-A82300017-001-01-1; O1-(methoxy[ ]yl) O4-methyl 2-hydroxy-2-(4-hydroxy-4-methyl-pentyl)butanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141633	.	.	.	.	545.6	C29H39NO9	124	968	0.8	39	2	10	11	"InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25+,28-,29 /m0/s1"	CC(C)(CCCC(CC(=O)OC)(C(=O)O[C@H]1[C@@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HYFHYPWGAURHIV-ZEDNPHJLSA-N
DG50573	Tubulosine	72341	"Tubulosine; Marckine; 2632-29-3; CHEBI:9775; 10,11-Dimethoxytubulosan-8'-ol; Tubulosan-8'-ol, 10,11-dimethoxy-; UNII-112A6Z7SN5; 112A6Z7SN5; NSC131547; (1R)-1-[[(2S,3R,11bS)-3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol; 10,11-Dimethoxytubulosanol; NSC-131547; Tubulosine (8CI); NSC 131547; NCIStruc1_001471; NCIStruc2_001820; CHEMBL518568; SCHEMBL1920742; Tubulosan-8'-ol,11-dimethoxy-; ZINC3954386; BDBM50480281; NCI131547; (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol; NCI60_000694; Tubulosan-8'-ol, 10,11-dimethoxy- (9CI); C09248; SR-02000000201-1; Q27108491; 1H-Pyrido[3, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro- 9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]- 2,3,4,9-tetrahydro-, (1R)-; 1H-Pyrido[3,4-b]indol-6-ol, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-, (1R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131547	.	.	.	.	475.6	C29H37N3O3	69.8	723	4.6	35	3	5	5	"InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1"	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC	JRVWIILYWSBUMC-PRUVNFMMSA-N
DG50574	Nobiletin	72344	"Nobiletin; 478-01-3; Hexamethoxyflavone; 3',4',5,6,7,8-Hexamethoxyflavone; 5,6,7,8,3',4'-Hexamethoxyflavone; UNII-D65ILJ7WLY; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC-76751; D65ILJ7WLY; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; CHEMBL76447; Nobiletin (Hexamethoxyflavone); CHEBI:7602; NSC76751; MFCD03273560; Flavone, 5,6,7,8,3',4'-hexamethoxy; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; SMR000156231; CCRIS 9012; NSC 76751; CPD000156231; Nobiletin, >=97%; Spectrum2_001697; Spectrum3_000921; Spectrum4_001020; KBioGR_001519; MLS000574877; MLS000759462; MLS000877030; MLS001424129; Nobiletin, analytical standard; SCHEMBL244029; SPECTRUM1505268; SPBio_001654; MEGxp0_000930; ACon1_000921; KBio3_001922; DTXSID30197275; 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; HMS2051D09; HMS2234A09; HMS3373C14; HMS3393D09; HMS3651G20; HY-N0155; ZINC1531669; 3'4'5,6,7,8-Hexamethoxyflavone; 3,4,5,6,7,8-Hexamethoxyflavone; BDBM50338976; CCG-38781; LMPK12111468; NSC618903; STL565829; AKOS015965334; NOBILETIN, 20% (Technical Grade); AC-1023; CS-5518; MCULE-1015144950; NC00186; NSC-618903; SDCCGMLS-0066776.P001; NCGC00095703-01; NCGC00095703-02; NCGC00095703-06; NCGC00169228-01; 5,6,7,8,3'',4''-hexamethoxyflavone; AS-17452; NCI60_041691; DB-050181; FT-0686667; N0871; N1311; S2333; SW197566-2; V0181; A827343; SR-01000712262; Q-100511; Q2402963; SR-01000712262-5; BRD-K06753942-001-02-0; 2-(3,4-Dimethoxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one; 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]oxazole; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 9CI; 3 inverted exclamation mark ,4 inverted exclamation mark ,5,6,7,8-HEXAMETHOXYFLAVONE; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76751	.	.	.	.	402.4	C21H22O8	81.7	593	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3"	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	MRIAQLRQZPPODS-UHFFFAOYSA-N
DG50575	Berberine iodide	72350	"Berberine iodide; 4263-84-7; Berberine, iodide; SCHEMBL1376273; CHEMBL1985435; DTXSID80962617; NSC150446; AKOS000277098; NSC 150446; NSC-150446; Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, iodide; 9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium iodide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150446	.	.	.	.	463.3	C20H18INO4	40.8	488	.	26	0	5	2	"InChI=1S/C20H18NO4.HI/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1"	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[I-]	COKBTDHQMKTDCJ-UHFFFAOYSA-M
DG50577	5-Iminodaunorubicin	72400	"5-Iminodaunorubicin; 72983-78-9; 5-iminodaunorubicin hydrochloride; UNII-P910685S6G; 5-Iminodaunomycin; P910685S6G; (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one; CCRIS 5676; BRN 4069837; NSC254681; 5(8H)-Naphthacenone der.; 5-ID; CHEMBL3304020; NSC833900; NSC-833900; 5(8H)-Naphthacenone, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, (8S-cis)-; HY-138645; Q27286385; (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one; (8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-(hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-5(8H)-naphthacenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	833900	.	.	.	.	526.5	C27H30N2O9	193	963	1.4	38	6	11	4	"InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,23+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O	BLLIIPIJZPKUEG-HPTNQIKVSA-N
DG50578	9-Aminocamptothecin	72402	"9-Aminocamptothecin; 91421-43-1; aminocamptothecin; 9-Amino-camptothecin; 9-Amino-cpt; 9-AMINO-20(S)-CAMPTOTHECIN; 9-Amino-20-(S)-camptothecin; UNII-5MB77ICE2Q; NSC603071; NSC-603071; 5MB77ICE2Q; CHEMBL274070; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; CHEBI:80755; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]-indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Camptothecin, 9-amino-; (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; (S)-10-amino-4-ethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione; 10-amino-4(s)-4-ethyl-4-hydroxy-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione; 10-Amino-4(S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; MLS002702905; NSC 603071; IDEC-132; NSC-629971; 9-aminocamptothecan; 9-amino camptothecin; 9-NH2-Camptothecin; 9-amino-2(S)-camptothecin; SCHEMBL26578; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; cid_72402; MLS000728575; DTXSID10873202; HMS2220K11; HMS3339H11; HMS3749C03; 10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; BCP09002; EX-A4335; 9-amino-CPT (9-Aminocamptothecin); BDBM50008936; MFCD00909855; s2653; ZINC37866089; AKOS015896595; CS-7784; DB12515; NCGC00247552-01; 1H-Pyrano(3;,4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-; AC-33991; AS-14292; K664; NCI60_004578; SMR000445687; HY-100309; F11420; 421A431; A843867; J-504140; BRD-K09291936-001-07-5; Q27149808; (S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-nitro-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603071	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	FUXVKZWTXQUGMW-FQEVSTJZSA-N
DG50579	"10,11-Methylenedioxy-20S-camptothecin"	72403	"135415-73-5; 10,11-Methylenedioxy-20S-camptothecin; Mdo-cpt; 10,11-Methylenedioxycamptothecin; 10,11-Methylenedioxy-20-camptothecin; 104155-89-7; CHEMBL307794; NSC634724; compound 5z [PMID: 8410981]; (5S)-5-ethyl-5-hydroxy-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(13),2,4(9),14,16,21,23-heptaene-6,10-dione; 10H-1,3-Dioxolo(4,5-g)pyrano(3,4:6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-; NSC 634724; 10,11-Methylenedioxy-20-(RS)-camptothecin; 10,11-(Methylenedioxy)-20(S)-camptothecin; 10,11-CH2O2-Camptothecin; GTPL8893; SCHEMBL18296600; DTXSID20908832; ZINC597856; 10,11-Methylenedioxy-camptothecin; EX-A4324; BDBM50036133; NSC-634724; NCI60_011589; A935094; Q27076760; (S)-7-ethyl-7-hydroxy-10,13-dihydro-11H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H)-dione; (S)-7-Ethyl-7-hydroxy-7H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(10H,13H)-dione; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (+-)-; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7-ethyl-7-hydroxy-, (7S)-; 10H-1,5-g]pyrano[3',4':6,7]indolizino[1,2-b] quinoline-8,11(7H,12H)-dione, 7-ethyl-7-hydroxy-, (S)-; 7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[4,5-g]pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-8,11-dione; 7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'''',4'''':6,7]indolizino[1,2-b]quinoline-8,11-dione; 7-Ethyl-7-hydroxy-2H,10H-[1,3]dioxolo[4,5-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11(7H,13H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634724	.	.	.	.	392.4	C21H16N2O6	98.2	852	0.8	29	1	7	1	"InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O	RPFYDENHBPRCTN-NRFANRHFSA-N
DG50580	Picropodophyllin	72435	"Picropodophyllin; Picropodophyllotoxin; 477-47-4; AXL1717; Picropodophyllin (PPP); 17434-18-3; AXL-1717; UNII-0F35AOI227; AXL1717 (Picropodophyllotoxin); AXL 1717; NSC36407; (-)PPP; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; CHEBI:75251; 0F35AOI227; NSC-36407; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-; cyclolignan PPP; picro-podophyllin; IGF-1R Inhibitor, PPP; NSC 36407; (5R,5aS,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one; (5R,5aS,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; BRN 0099161; Spectrum_001636; Picropodophyllin (8CI); Spectrum2_000520; Spectrum3_001671; Spectrum4_001836; Spectrum5_000631; BSPBio_003481; KBioGR_002538; KBioSS_002116; SCHEMBL159598; SPECTRUM1504410; SPBio_000479; Podophyllotoxin picropodophyllin; CHEMBL283120; GTPL7873; KBio2_002116; KBio2_004684; KBio2_007252; KBio3_002701; DTXSID80197245; HMS1923O05; BCP18482; EX-A4921; ZINC4098919; CCG-39920; MFCD01742647; NSC799342; s7668; AKOS015965529; CS-1184; DB12802; NSC-799342; SDCCGMLS-0066757.P001; NCGC00161923-01; NCGC00161923-02; NCGC00161923-04; NCGC00161923-29; Picropodophyllotoxin;Picropodophyllin;PPP; AC-20289; BS-16874; HY-15494; X1203; Picropodophyllotoxin, >=96% (HPLC), powder; BRD-K81829253-001-02-9; BRD-K81829253-001-03-7; Q27088385; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JQ; (10R,11S,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0 , .0  ,  ]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aS,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; 118627-04-6; 5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, [5R-(.alpha.-5a.alpha.,8a.alpha.,9.alpha.)]; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.alpha.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36407	.	.	.	.	414.4	C22H22O8	92.7	629	2	30	1	8	4	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O	YJGVMLPVUAXIQN-HAEOHBJNSA-N
DG50581	Methylbenzoprim	72438	"Methylbenzoprim; 118344-71-1; CHEMBL56170; MLS002701717; 5-[4-[benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine; NSC382035; NSC-382035; 2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl)amino]-3-nitrophenyl]-; 2,4-Pyrimidinediamine, 6-ethyl-5-(4-(methyl(phenylmethyl)amino)-3-nitrophenyl)-; NSC 382035; Neuro_000220; cid_72438; SCHEMBL8590014; DTXSID70152101; ZINC3777839; BDBM50058420; ZINC03777839; NCI60_003643; SMR001565314; 2, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]-; 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine; 5-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine; (methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382035	.	.	.	.	378.4	C20H22N6O2	127	509	3.3	28	2	7	5	"InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]	NUFNKYNBZYIQDG-UHFFFAOYSA-N
DG50582	Bromochloromethotrexate	72439	"Bromochloromethotrexate; UNII-89MS4IXM22; 89MS4IXM22; NSC98579; NSC-98579; 3'-Bromo-5'-chloromethotrexate; ZINC1643915; NSC 98579; (2S)-2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid; 1-[(4-{[(2,4-Diaminopteridin-6-yl)methyl]methylamino}-5-bromo-3-chlorophenyl)carbonylamino]propane-1,3-dicarboxylic acid; Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; L-Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9CI); N-[3-Bromo-5-chloro-4-[[(2,4-diaminopteridin-6-yl)methyl]methylamino]benzoyl]-L-glutamic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98579	.	.	.	.	567.8	C20H20BrClN8O5	211	784	0	35	5	12	9	"InChI=1S/C20H20BrClN8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1"	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl	AKDWTVCYSZSYQZ-LBPRGKRZSA-N
DG50583	Chlorsulfaquinoxaline	72462	"Chlorsulfaquinoxaline; chloroquinoxaline sulfonamide; 97919-22-7; 4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide; NSC-339004; 4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide; UNII-O0408QB48D; MLS002701830; NSC339004; Benzenesulfonamide, 4-amino-N-(5-chloro-2-quinoxalinyl)-; CQS; O0408QB48D; Benzenesulfonamide,4-amino-N-(5-chloro-2-quinoxalinyl)-; SMR001565423; CCRIS 689; NSC 339004; BRN 0312075; Benzenesulfonamide, 4-amino-N-[5-chloro-2-quinoxalinyl]-; NCIMech_000335; 4-25-00-02607 (Beilstein Handbook Reference); cid_72462; SCHEMBL6375915; CHEMBL1905073; BDBM97028; DTXSID10243340; ZINC1578344; CCG-35544; DB12921; NCI60_002995; HY-106662; CS-0026291; A901225; Q27285146; 4-azanyl-N-(5-chloranylquinoxalin-2-yl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339004	.	.	.	.	334.8	C14H11ClN4O2S	106	476	2.3	22	2	6	3	"InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)"	C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N	CTSNHMQGVWXIEG-UHFFFAOYSA-N
DG50584	Nagilactone C	72505	"Nagilactone C; 24338-53-2; NSC211500; NSC 117884; NSC 211500; CHEMBL487996; DTXSID401019971; ZINC5015081; NSC117884; dihydroxy-isopropyl-dimethyl-[ ]dione; NSC-117884; Podolactone B, 7, 8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (7.beta.)-; (1aR,2R,2aR,4aS,4bR,5R,9bS,9cS)-2,5-dihydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,5,9b,9c-octahydro-3H,8H-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione; 3J2; Podolactone B, 7,8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (1alpha,2alpha,7beta)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211500	.	.	.	.	362.4	C19H22O7	106	811	-0.2	26	2	7	1	"InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1"	CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	DGNOPGIIPQKNHD-RSKPZANQSA-N
DG50585	Piperidinium pentamethylenedithiocarbamate	72508	"98-77-1; Piperidinium pentamethylenedithiocarbamate; Piperidine piperidine-1-carbodithioate; Accelerator 552; PMP (accelerator); Piperidine pentamethylenedithiocarbamate; Piperidinium piperidine-1-carbodithioate; NSC1906; 1-Piperidinecarbodithioic acid, compd. with piperidine (1:1); 522 Rubber accelerator; Piperidinium piperidinedithiocarbamate; UNII-7K715ND7EP; piperidine;piperidine-1-carbodithioic acid; Piperidinium pentamethylene dithiocarbamate; NSC 4712; Nocceler PPD; 7K715ND7EP; Piperidinium N,N-pentamethylenedithiocarbamate; 1-Piperidinecarbodithioic acid piperidine salt; 1-Piperidinecarbodithioic acid, piperidine salt; Piperidinecarbodithioic acid, piperidinium salt; NSC4712; Pipecolinium pipecolyldithiocarbamate; Pip-Pip; WLN: T6NTJ AYUS & SH & T6MTJ; PMP (VAN); piperidine; piperidine-1-carbodithioic acid; NSC 1906; NSC 4712; EINECS 202-698-4; AI3-03659; PMP(VAN); Maybridge3_003536; Pentamethyleneammonium pentamethylenedithiocarbamate; 1-Piperidinecarbodithioic acid, compd. with piperidine; CHEMBL1970659; DTXSID90883288; HMS1441A16; 1-Piperidinecarbodithioic acid, compound with piperidine (1:1); NSC-1906; NSC-4712; CCG-35467; AKOS025312456; 3-FLUORO-3,5-DICHLOROBIPHENYL; MCULE-9173625423; IDI1_014923; AS-77071; NCI60_001590; DB-057748; FT-0631514; P0630; SR-01000645528-1; 1-Piperidinecarbodithioic acid, piperidine salt (6CI); Q27268449"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1906	.	.	.	.	246.4	C11H22N2S2	48.4	139	.	15	2	3	0	"InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2"	C1CCNCC1.C1CCN(CC1)C(=S)S	PVFZKRMYBKEXBN-UHFFFAOYSA-N
DG50586	9-Methoxyellipticine	72512	"9-Methoxyellipticine; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; 10371-86-5; Methoxyelliptione; Methoxyellipticine; 9-Methoxyellipticin; ICI 180 base; Ellipticine, 9-methoxy-; AT 181; ICIG 772; NSC69187; NSC 69187; B 656501 K003; 9-Methoxy-Ellipticine; UNII-U0924292N9; 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; CHEMBL19954; 6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-; MLS000736760; NSC-69187; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-; U0924292N9; B 656501K003; EINECS 233-812-0; BRN 0279742; O-Methylellipticine; 9-methoxy ellipticine; NCIMech_000308; Neuro_000029; 5-23-12-00543 (Beilstein Handbook Reference); cid_72512; ELLIPTICINE, 9-METHOXY; SCHEMBL1005968; DTXSID50146028; HMS2269C04; BDBM50174412; CCG-35479; ZINC37866067; NCGC00246863-01; NCI60_032986; SMR000528314; Q27290521; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole9-OCH3-E; 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl- (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69187	.	.	.	.	276.3	C18H16N2O	37.9	387	4.8	21	1	2	1	"InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C	BKRMCDAOAQWNTG-UHFFFAOYSA-N
DG50587	3'-Hydroxydaunorubicin	72518	"64842-75-7; 3'-Hydroxydaunorubicin; NSC 284682; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; NSC284682; CHEMBL3230211; (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,6-dideoxy-alpha-L-lyxo-hexopyranoside; (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 5,12-Naphthacenedione, 8-acetyl-10-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284682	.	.	.	.	528.5	C27H28O11	180	955	2.1	38	5	11	4	"InChI=1S/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)O	QAFPIRVGDWNCDV-VGBVRHCVSA-N
DG50588	Nonactin	72519	"nonactin; 6833-84-7; Antibiotic from Actinomycete; UPJOHN 170T, high melting; Werramycin-A; UNII-TTP24WX8P7; 5342 PFW 19; A 4426; Upjohn 170t (high melting); TTP24WX8P7; CHEBI:7614; 4,13,22,31,37,38,39,40-Octaoxapentacyclo(32.2.1.1(sup 7,10).1(sup 16,19).1(sup 25,28))tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, (1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*))-; GNF-PF-1094; NSC52141; TA-25-M-I; E-79-C; NSC 52141; NSC 56409; N-329-A; Ammonium ionophore; 3584-A; A-5584; Ammonium ionophore I; 4,13,22,31,37,38,39,40-Octaoxapentacyclo(32.2.1.17,10.116,19.125,28)tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl- (8CI); EINECS 229-911-3; BRN 0076434; 4,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-; 4,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-; Macrotetrolide analogue; bmse000763; SCHEMBL82710; 5-19-12-00751 (Beilstein Handbook Reference); CHEMBL415914; DTXSID10218477; NSC56409; NSC-52141; NSC-56409; ZINC85552238; AKOS024457138; CCG-208315; MCULE-1711527138; 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-; NCI60_004265; B7082; SR-05000002313; Q7049170; SR-05000002313-2; (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-Octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone; (1S,2S,5S,7S,10R,11R,14R,16R,19S,20S,23S,25S,28R,29R,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone; 4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52141	.	.	.	.	736.9	C40H64O12	142	1040	6.6	52	0	12	0	"InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-"	C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C	RMIXHJPMNBXMBU-QIIXEHPYSA-N
DG50589	Echinosporin	72542	"Echinosporin; XK 213; 79127-35-8; NSC357683; Antibiotic XK 213; UNII-B85B6W425C; NSC 357683; B85B6W425C; CHEBI:189178; NSC789943; XK-213; ZINC100303204; NSC-789943; 1,5-(Epoxymethano)cyclopenta(c)pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1S-(1-alpha,4a-beta,5-beta,7a-beta))-; (1S,4S,7R,8S)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide; 1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1S,4aR,5S,7aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357683	.	.	.	.	223.18	C10H9NO5	98.8	454	-0.6	16	2	5	1	"InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)/t4-,5+,8+,10+/m1/s1"	C1=C[C@@]2([C@@H]3[C@@H]1[C@@H](OC(=C3)C(=O)N)OC2=O)O	OXSZHYWOGQJUST-YYZSKVJKSA-N
DG50590	"5-Methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole"	72564	"71712-16-8; NSC350102; CHEMBL10703; 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole; 1,3-Benzodioxole, 5-methoxy-6-(1-(4-methoxyphenyl)ethyl)-; 1,3-Benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-; 5-Methoxy-6-[1-[4-methoxyphenyl]ethyl]-1,3-benzodioxole; NSC 350102; 1,3-Benzodioxole der.; Neuro_000183; Oprea1_026637; SCHEMBL7709780; BDBM50230626; NSC-350102; NCI60_003119; 1, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-; J-2710; 1, 5-methoxy-6-[(1-(4-methoxyphenyl)ethyl]-; 1,3-Benzodioxole, 5-methoxy-6-((1-(4-methoxyphenyl)ethyl)-; (alpha-Methyl-4-methoxybenzyl)-3,4-methylenedioxy-6-methoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350102	.	.	.	.	286.32	C17H18O4	36.9	327	3.9	21	0	4	4	"InChI=1S/C17H18O4/c1-11(12-4-6-13(18-2)7-5-12)14-8-16-17(21-10-20-16)9-15(14)19-3/h4-9,11H,10H2,1-3H3"	CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OC)OCO3	NBIHTBVOSDHTJS-UHFFFAOYSA-N
DG50591	Redoxal	72571	"Redoxal; 52962-95-5; MLS000736810; NSC73735; 2-[4-[4-(2-carboxyanilino)-3-methoxyphenyl]-2-methoxyanilino]benzoic acid; UNII-Q0VK2156M5; Q0VK2156M5; SMR000528333; 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid; 2-[4-[4-(2-carboxyanilino)-3-methoxy-phenyl]-2-methoxy-anilino]benzoic acid; Benzoic acid, 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-; N,N'-BIS(o-CARBOXYPHENYL)-o-DIANISIDINE; NSC 73735; cid_72571; SCHEMBL1720516; CHEMBL1340633; BDBM50646; DTXSID90201004; HMS2852O22; KUC112424N; ZINC1699287; NSC-73735; 2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bisbenzoic acid; AKOS024429314; MCULE-9435664253; NCGC00246948-01; NCI60_041614; KSC-285-109-1; B 3845; Benzoic acid,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)diimino]bis-; 2-[[4-[4-[(2-carboxyphenyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]amino]benzoic acid; 2-{[4'-(2-carboxyanilino)-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]amino}benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73735	.	.	.	.	484.5	C28H24N2O6	117	675	6.7	36	4	8	9	"InChI=1S/C28H24N2O6/c1-35-25-15-17(11-13-23(25)29-21-9-5-3-7-19(21)27(31)32)18-12-14-24(26(16-18)36-2)30-22-10-6-4-8-20(22)28(33)34/h3-16,29-30H,1-2H3,(H,31,32)(H,33,34)"	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4=CC=CC=C4C(=O)O	IQZIRNIZQHVBMB-UHFFFAOYSA-N
DG50592	7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid	72574	7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid; 7-Oxo-7H-benzo(e)perimidine-4-carboxylic acid; 65359-16-2; NSC84167; UNII-B1A8BPF5U8; B1A8BPF5U8; 7-oxobenzo[e]perimidine-4-carboxylic acid; MLS000077061; CHEMBL166209; SMR000008738; 7-Oxo-7h-benzo[e]perimidine-4-carboxylicacid; EINECS 265-715-4; NSC 84167; cid_72574; SCHEMBL7142147; BDBM32001; DTXSID90215686; HMS1675E21; HMS2187N08; ZINC335846; NSC-84167; STK530189; AKOS000592634; MCULE-5493142562; NCGC00033933-03; 7-oxo-4-benzo[e]perimidinecarboxylic acid; 7-ketobenzo[e]perimidine-4-carboxylic acid; DB-008915; FT-0721109; SR-01000314383; 7-oxidanylidenebenzo[e]perimidine-4-carboxylic acid; SR-01000314383-1; W-111257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84167	.	.	.	.	276.25	C16H8N2O3	80.2	466	2.2	21	1	5	1	"InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)"	C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)O	NARZOZMHJMTCGC-UHFFFAOYSA-N
DG50593	Zaluzanin C	72646	"Zaluzanin C; 16838-87-2; CHEBI:10103; NSC177851; (3AS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one; NSC 177851; CHEMBL462318; DTXSID40168557; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; C09606; Q27108584; 3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide; 3beta,6alpha-Dihydroxy-1beta-guaia-4(15),10(14),11(13)-trien-12-oic acid, gamma-lactone; (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177851	.	.	.	.	246.3	C15H18O3	46.5	462	1.3	18	1	3	0	"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1"	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C	XFVLNEYIZGZDHP-PEDHHIEDSA-N
DG50594	Coumarin 337	72654	"Coumarin 337; 55804-68-7; Coumarin 523; UNII-7PZP222LOZ; 7PZP222LOZ; NSC338968; 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; 11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile; 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile; 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile; 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile; 1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; EINECS 259-827-2; NSC 338968; SCHEMBL2844010; CHEMBL1998632; DTXSID4069054; ZINC395534; MFCD00051332; AKOS000813906; NSC-338968; AS-56413; NCI60_002993; CS-0358073; D89539; 804C687; 1H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo-; (2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]-benzopyrano[6,7,8-ij]quinolizine-10-carbonitrile)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338968	.	.	.	.	266.29	C16H14N2O2	53.3	518	2.7	20	0	4	0	"InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2"	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1	LGDDFMCJIHJNMK-UHFFFAOYSA-N
DG50595	Morpholine-N-dithiocarbamate	72675	"Morpholine-N-dithiocarbamate; 5327-10-6; NSC4114; morpholine morpholine-4-carbodithioate; Morpholinium 4-morpholinecarbodithioate; Morpholinium morpholine-N-dithiocarbamate; Morpholinium morpholine-N-dithiocarboxylate; Morpholinium-N-oxydiethylenedithiocarbamate; morpholine; morpholine-4-carbodithioic acid; CHEMBL1994109; DTXSID00201393; 4-Morpholinecarbodithioic acid, compd. with morpholine (1:1); NSC 4114; NSC-4114; CCG-35471; Morpholinium-morpholin-4-dithiocarboxylat; NCI60_003933; AI3-08278; FT-0628995; Morpholine-4-carbodithioic acid - morpholine (1:1); 4-Morpholinecarbodithioic acid, compound with morpholine (1:1); 4-Morpholinecarbodithioic acid, compd. with morpholine (1:1) (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4114	.	.	.	.	250.4	C9H18N2O2S2	66.8	146	.	15	2	5	0	"InChI=1S/C5H9NOS2.C4H9NO/c8-5(9)6-1-3-7-4-2-6;1-3-6-4-2-5-1/h1-4H2,(H,8,9);5H,1-4H2"	C1COCCN1.C1COCCN1C(=S)S	MQYWTQLRFOFUSI-UHFFFAOYSA-N
DG50596	Orcein	72685	"Orcein; 1400-62-0; Pacein; NSC610930; CHEBI:90290; CHEMBL1418094; 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione; NSC 610930; NSC-610930; 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; UNII-655WAW52F4; EINECS 215-750-6; C.I. Natural Red 28; NCIStruc1_000110; NCIStruc2_001941; SCHEMBL23484447; 655WAW52F4; DTXSID901014576; ZINC1611596; BDBM50525251; CCG-38289; NCGC00014927; NCI610930; 2,8-bis(2,4-dihydroxy-6-methyl-anilino)-1,9-dimethyl-dibenzofuran-3,7-dione; AKOS024348924; MCULE-4944628462; CID 5386447; NCGC00014927-02; NCGC00098027-01; 4,12-bis[(2,4-dihydroxy-6-methylphenyl)amino]-3,13-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1,3,6,9,12-pentaene-5,11-dione; AS-80300; NCI60_004804; 400O620; J-007349; W-201188; Q27162452; 2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; 2,8-Bis((2,4-dihydroxy-6-methylphenyl)amino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione; 8-(2,4-dihydroxy-6-methylanilino)-2-(2,4-dihydroxy-6-methylphenyl)imino-7-hydroxy-1,9-dimethyldibenzofuran-3-one; 885460-53-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610930	.	.	.	.	500.5	C28H24N2O7	152	1010	3.9	37	6	9	3	"InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3"	CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O	QFIIYGZAUXVPSZ-UHFFFAOYSA-N
DG50597	9-Hydroxyphenylfluoron	72722	"salicyl fluorone; 3569-82-2; 9-Hydroxyphenylfluoron; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one; 9-HPF; MLS000737903; NSC9037; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3h-xanthen-3-one; NSC-9037; 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-; SMR000528081; Salicylfluoron; Salicylfluorone; NSC 9037; CBDivE_010284; cid_72722; CHEMBL1451216; CHEMBL1939685; SCHEMBL13320834; BDBM51252; DTXSID00189203; HMS2885F24; AKOS002268859; ZINC100037549; MCULE-8950766477; NCGC00246915-01; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)fluorone; 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3-xanthenone; 9-(2-hydroxyphenyl)-2,6,7-tris(oxidanyl)xanthen-3-one; F0777-0978; 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-, (15alpha)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9037	.	.	.	.	336.3	C19H12O6	107	675	2.1	25	4	6	1	"InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H"	C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O	GRWQEXZZWRVXDZ-UHFFFAOYSA-N
DG50598	Alantolactone	72724	"Alantolactone; helenine; helenin; Eupatal; 546-43-0; Alant camphor; Inula camphor; Elecampane camphor; UNII-M7GSN5Q1M6; CHEBI:2540; AI3-31147; NSC93131; M7GSN5Q1M6; CHEMBL136356; (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one; NSC 93131; Alantic anhydride; (+)-Alantolactone; (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one; EINECS 208-899-3; NSC 302289; Alantcamphor; Spectrum_000297; Spectrum2_000297; Spectrum3_001358; Spectrum4_001772; Spectrum5_000383; Epitope ID:119691; BSPBio_003175; KBioGR_002284; KBioSS_000777; SPECTRUM310010; SCHEMBL155169; SPBio_000234; KBio2_000777; KBio2_003345; KBio2_005913; KBio3_002395; DTXSID90877864; Alantolactone, >=98% (HPLC); (3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one; HY-N0038; ZINC3881905; BDBM50096873; CCG-39639; NSC-93131; s8318; AKOS015906135; CS-3595; LMPR0103190013; SDCCGMLS-0066583.P001; NCGC00178225-01; NCGC00178225-02; NCGC00178225-05; (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one; (3AR-(3aalpha,5beta,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylenenaphtho(2,3-b)furan-2(3H)-one; AC-31414; BS-17042; Naphtho(2,3-b)furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR-(3a alpha,5beta,8a beta,9a alpha))-; NCI60_042073; N2660; C09289; Q21099633; 4.alpha.H-Eudesma-5, 8.beta.-hydroxy-, .gamma.-lactone; 4alphaH-Eudesma-5,11(13)-dien-12-oic acid, 8beta-hydroxy-, gamma-lactone (8CI); Naphtho[2, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, [3aR-(3a.alpha.,5.beta.,8a.beta.,9a.alpha.)]-; Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-; Naphtho[2,3-b]furan-2(3H)-one,3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-,(3aR,5S,8aR,9aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93131	.	.	.	.	232.32	C15H20O2	26.3	421	3.7	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1"	C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C	PXOYOCNNSUAQNS-AGNJHWRGSA-N
DG50599	2-Amino-3H-phenoxazin-3-one	72725	"2-Amino-3H-phenoxazin-3-one; Questiomycin A; 2-Aminophenoxazin-3-one; 1916-59-2; 3-Aminophenoxazone; 2-Aminophenoxazon; 2-Aminophenoxazone; 2-Amino-3-phenoxazone; 3H-Phenoxazin-3-one, 2-amino-; Isophenoxazine; 2-amino-phenoxazin-3-one; NSC 94945; MLS000736964; 2-aminophenoxazine-3-one; CHEBI:17293; SMR000528446; BRN 0014215; Questinomycine A; AV toxin C; 2-Aminophenoxazinone; Phx-3 cpd; Phx-3; 2-amino-3-phenoxazinone; 2-azanylphenoxazin-3-one; Acrospermum viticola toxin C; NCIOpen2_006212; 4-27-00-05519 (Beilstein Handbook Reference); cid_72725; CHEMBL146710; SCHEMBL2609261; 3H-Phenoxazin-3-one,2-amino-; BDBM76155; DTXSID60172691; HMS2270F19; BAA91659; NSC94945; ZINC4095812; MFCD00207317; NSC-94945; 2-acetylamino-(3h)-phenoxazin-3-one; AKOS027339724; NCGC00246903-01; AS-47041; C02161; F11662; J-012388; BRD-K66640612-001-05-8; Q15424786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94945	.	.	.	.	212.2	C12H8N2O2	64.7	434	1	16	1	4	0	"InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2"	C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N	RDJXPXHQENRCNG-UHFFFAOYSA-N
DG50600	Dermocybin	72742	"Dermocybin; DERMOCYLIN; 7229-69-8; NSC257450; UNII-262A24QZT8; CHEMBL1973073; 1,3,4,5-tetrahydroxy-2-methoxy-7-methylanthracene-9,10-dione; 262A24QZT8; Anthraquinone, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; NSC 257450; SCHEMBL10908267; DTXSID60222620; 1,3,4,5-Tetrahydroxy-2-methoxy-7-methyl-9,10-anthracenedione; 9,10-Anthracenedione, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; ZINC5412537; BDBM50174550; NSC-257450; NCI60_002067; 9, 1,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; WLN: L C666 BV IVJ DQ EO1 FQ GQ KQ M1; Anthraquinone,3,4,5-tetrahydroxy-2-methoxy-7-methyl-; 3-methyl-1,5,7,8-tetrahydroxy-6-methoxy-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	257450	.	.	.	.	316.26	C16H12O7	124	507	2.9	23	4	7	1	"InChI=1S/C16H12O7/c1-5-3-6-8(7(17)4-5)12(19)10-9(11(6)18)14(21)16(23-2)15(22)13(10)20/h3-4,17,20-22H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)OC)O	WZDHOIZUFUBGHK-UHFFFAOYSA-N
DG50601	"9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-"	72743	"65271-79-6; NSC278467; UNII-473QE2FF2G; 473QE2FF2G; NSC-278467; 9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-; 1,4-Bis({3-[(2-hydroxyethyl)amino]propyl}amino)anthra-9,10-quinone; NSC 278467; CHEMBL117522; SCHEMBL15277979; DTXSID40215595; ZINC5374358; 1,4-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; 1,4-Bis((3-((2-hydroxyethyl)amino)propyl)amino)-9,10-anthracenedione; NCI60_002266; 9, 1,4-bis[[3-[(2-hydroxyethyl)amino]propyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278467	.	.	.	.	440.5	C24H32N4O4	123	540	2.4	32	6	8	14	"InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-8-20(28-12-4-10-26-14-16-30)22-21(19)23(31)17-5-1-2-6-18(17)24(22)32/h1-2,5-8,25-30H,3-4,9-16H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCNCCO)NCCCNCCO	SIDWSIHMDVGHMD-UHFFFAOYSA-N
DG50602	"3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride"	72769	"C.I. Basic Yellow 9; Euchrysin; Euchrysine RRX; Euchrysine GGNX; Phosphine GRNA; Phosphine GRNTN; Basic Yellow HG; 4215-95-6; Chrysophosphine 2G; Leather Yellow HG; 3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride; 2,7,9-Trimethylacridine-3,6-diamine monohydrochloride; C.I. 46040; 2,7,9-trimethylacridine-3,6-diamine;hydrochloride; 3,6-Acridinediamine, 2,7,9-trimethyl-, hydrochloride (1:1); SP 15 Lemon Yellow; Euchryeine; Basic yellow 9; EINECS 224-148-2; NSC 115905; 2,7,9-trimethylacridine-3,6-diamine hydrochloride; DTXSID1063358; NSC115905; NSC-115905; 3, 2,7,9-trimethyl-, monohydrochloride; BASIC YELLOW 9 (PHOSPHINE GRNA C.I. 46040); Acridine,6-diamino-2,7,9-trimethyl-, monohydrochloride; Acridine, 3,6-diamino-2,7,9-trimethyl-, monohydrochloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115905	.	.	.	.	287.79	C16H18ClN3	64.9	302	.	20	3	3	0	"InChI=1S/C16H17N3.ClH/c1-8-4-11-10(3)12-5-9(2)14(18)7-16(12)19-15(11)6-13(8)17;/h4-7H,17-18H2,1-3H3;1H"	CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C.Cl	NOFPXGWBWIPSHI-UHFFFAOYSA-N
DG50603	"5-Methyl-1,10-phenanthroline"	72791	"5-Methyl-1,10-phenanthroline; 3002-78-6; 1,10-Phenanthroline, 5-methyl-; 5-Methylphenanthroline; CHEMBL98682; 5-Methyl-1,10-phenanthroline Hydrate [for Colorimetric Determination of Iron]; NSC 4272; EINECS 221-099-9; MFCD00004982; SCHEMBL371564; DTXSID4062771; 5-Methyl-[1,10]phenanthroline; UJAQYOZROIFQHO-UHFFFAOYSA-; NSC4272; ZINC120047; NSC-4272; BDBM50401345; AKOS015899630; CS-W004552; MCULE-2835878219; 5-Methyl-1,10-phenanthroline, >=99%; AC-29167; AS-59411; DB-050453; FT-0620583; M0300; A846127; 2-BROMO-5-(2,5-DIMETHYL)PYRROLIDYLPYRIDINE; J-200078; iron(+2) cation; 5-methyl-1,10-phenanthroline; sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4272	.	.	.	.	194.23	C13H10N2	25.8	229	2.8	15	0	2	0	"InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3"	CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2	UJAQYOZROIFQHO-UHFFFAOYSA-N
DG50604	"4,7-Dimethyl-1,10-phenanthroline"	72792	"4,7-Dimethyl-1,10-phenanthroline; 3248-05-3; 4,7-Dimethyl-o-phenanthroline; 1,10-Phenanthroline, 4,7-dimethyl-; 4,7-DIMETHYL-[1,10]PHENANTHROLINE; UNII-P3YJ54Z8ZO; P3YJ54Z8ZO; CHEMBL593442; MFCD00004979; Oprea1_825186; SCHEMBL182930; DTXSID9062932; NSC4281; ZINC120461; 5-Fluoro-l-(2-furanidinyl)-4-(trimethylsilyloxy)-2-pyrimidone; ALBB-023379; NSC 4281; NSC-4281; EINECS 221-827-5; BDBM50401348; AKOS003369115; CS-W004562; DB02586; DS-2431; NCGC00247283-01; SY037737; DB-050425; D0772; FT-0634746; 4,7-dimethy-1,10-phenathroline(monohydrate); 1,10-phenanthroline, 4,7-dimethyl-, hydrate; C74659; 248D053; Q27093559"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4281	.	.	.	.	208.26	C14H12N2	25.8	227	3.2	16	0	2	0	"InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3"	CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C	JIVLDFFWTQYGSR-UHFFFAOYSA-N
DG50605	"1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-"	72802	"63931-90-8; UNII-9LC3489KIW; 9LC3489KIW; 1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-; NSC 307500; BRN 0674496; NSC307500; 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide; CHEMBL1972487; DTXSID40213753; ZINC1568652; 1H-1,2,4-Benzotriazepine-3-carboxamide,4,5-dihydro-5-oxo-4-phenyl-; NSC-307500; NCI60_002630; DS-002854"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307500	.	.	.	.	280.28	C15H12N4O2	87.8	457	2.1	21	2	4	2	"InChI=1S/C15H12N4O2/c16-13(20)14-18-17-12-9-5-4-8-11(12)15(21)19(14)10-6-2-1-3-7-10/h1-9,17H,(H2,16,20)"	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N	SYLXSYKPLOSTDX-UHFFFAOYSA-N
DG50606	"1,10-Phenanthroline-5,6-dione"	72810	"1,10-Phenanthroline-5,6-dione; 27318-90-7; [1,10]Phenanthroline-5,6-dione; UNII-8JD7KXA2W0; 8JD7KXA2W0; MLS003171048; LDN-73794; MFCD00014473; Phen-5,6-dione; 1,10-Pad; Stahl phd oxidant; NSC346882; NSC 346882; 1 10-PHENANTHROLINE-5 6-DIONE; cid_72810; SCHEMBL460433; CHEMBL235504; BDBM22860; GTPL11323; AMY7204; DTXSID60181763; 1,2-Dione-Based Compound, 17; BCP22583; CS-D0379; ZINC1580384; STK681092; AKOS005068282; AC-7578; GS-4495; LS40062; MCULE-6208792454; NSC-346882; 1,10-Phenanthroline-5,6-dione, 97%; SMR001874957; SY019736; T5-8; DB-005603; 5,6-dihydro-1=10-phenantroline-5,6-dione; C3352; FT-0600329; P1973; W5042; 5,6-dihydro-1,10-phenanthroline-5,6-dione; 1 10-PHENANTHROLINE-5 6-DIONE  97; 318P907; A819012; SR-01000899541; J-400086; SR-01000899541-2; Fmoc-(R)-3-Amino-3-(4-cyano-phenyl)-propionicacid; [1,10]Phenanthroline-5,6-dione ; 1,10-Phenanthroline-5,6-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	346882	.	.	.	.	210.19	C12H6N2O2	59.9	297	0.5	16	0	4	0	InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H	C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1	KCALAFIVPCAXJI-UHFFFAOYSA-N
DG50607	"4,7-Diphenyl-1,10-phenanthroline"	72812	"Bathophenanthroline; 4,7-Diphenyl-1,10-phenanthroline; 1662-01-7; 1,10-Phenanthroline, 4,7-diphenyl-; BPhen; 1,10-Bathophenanthroline; Bathophenanthrolin; MFCD00004976; NSC 637659; UNII-4A2B091F0G; 4,7-Diphenyl-1,10-diazaphenanthrene; GNF-Pf-4554; CHEBI:77995; 4A2B091F0G; NSC637659; 4,7-Diphenyl-1,10-phenanthroline;4,7-Diphenyl-1,10-phenanthroline; Bathophenanthrolin [German]; 4,7-Diphenyl-1,10-phenanthroline, 98.5%; EINECS 216-767-1; BRN 0261048; CCRIS 9382; EINECS 269-684-8; Cyto4A11; Bathophenanthroline, 97%; Bathophenanthroline, 99%; 4,7-diphenyl-phenanthroline; SCHEMBL28868; YSWG753; 5-23-10-00274 (Beilstein Handbook Reference); BIDD:GT0407; 4,7-Diphenyl-o-phenanthroline; CHEMBL583162; DTXSID7061857; QCR-265; BCP11187; HY-D0006; ZINC1625284; 4,7-Diphenyl-1,10-phenanthroline, nickel complex, tetrafluoroborate; BBL103744; STL557554; AKOS015895314; 4, 7-Diphenyl-1, 10-phenanthroline; AM62649; CS-6274; MCULE-2261797567; NSC-637659; 68309-97-7; AS-13730; L608; NCI60_012508; Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, bis(tetrafluoroborate(1-)); Nickel(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, tetrafluoroborate(1-) (1:2); SY007928; B2695; Bathophenanthroline (purified by sublimation); D0905; FT-0600613; B-0400; F16258; J10196; A810705; J-610041; Q27147578; 4,7-Diphenyl-1,10-phenanthroline, >/=99.9%(HPLC); 1,10-Phenanthroline, 4,7-diphenyl- (6CI,7CI,8CI,9CI); Bathophenanthroline, for spectrophotometric det. of Fe in serum, >=99.0%; Tris(4,7-diphenyl-1,10-phenanthroline-N1,N10)nickel(2+) bis(tetrafluoroborate(1-))"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637659	.	.	.	.	332.4	C24H16N2	25.8	409	5.7	26	0	2	2	InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H	C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5	DHDHJYNTEFLIHY-UHFFFAOYSA-N
DG50608	"4,5-Dichloro-2-phenylpyridazin-3-one"	72813	"1698-53-9; 4,5-dichloro-2-phenylpyridazin-3(2H)-one; 1-Phenyl-4,5-dichloro-6-pyridazone; 4,5-Dichloro-2-phenylpyridazin-3-one; 3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-; 2-Phenyl-4,5-dichloro-3-pyridazinone; 4,5-Dichloro-2,3-dihydro-2-phenylpyridazin-3-one; 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone; 1-Fenyl-4,5-dichlor-6-pyridazinon; 1-Phenyl-4,5-dichloro-5-pyridazone; NSC224369; NSC642642; 3(2H)-Pyridazinone,5-dichloro-2-phenyl-; EINECS 216-917-6; ChemDiv2_002909; NSC 224369; NSC 642642; BRN 0175852; AI3-18651; 1-Fenyl-4,5-dichlor-6-pyridazinon [Czech]; 4,5-dichloro-2-phenyl-2,3-dihydropyridazin-3-one; pyridazinone, 2-42; 4,5-Dichloro-2-phenyl-pyridazin-3-one; 3(2H)-Pyridazinone,4,5-dichloro-2-phenyl-; 5-24-02-00024 (Beilstein Handbook Reference); cid_72813; MLS000332063; CHEMBL610198; SCHEMBL1461789; BDBM33355; WLN: T6NNVJ BR& DG EG; DTXSID60168751; HMS1377E05; HMS2612K09; HMS3438D08; ZINC119689; 4,5-Dichloro-2-phenyl-pyridazinone; MFCD00006470; STK350677; 4,5-dichloro-1-phenylpyridaz-6-one; AKOS000313144; 1-phenyl-4,5-dichloropyridazin-6-one; 5M-603S; CCG-129262; MCULE-8609368943; NSC-224369; NSC-642642; QC-1630; NCGC00246299-01; AC-27715; NCI60_001850; NCI60_014437; SMR000221555; 4,5-Dichlor-2-phenyl-3(2H)-pyridazinon; 2-phenyl-4,5-dichloro-3(2H)-pyridazinone; DB-027445; 4,5-Dichloro-1-phenylpyridazin-6(1H)-one; 4,5-Dichloro-2-phenyl-2H-pyridazin-3-one; CS-0128769; FT-0617168; 1-Phenyl-4,5-dichloro-6-pyridazone, >=99%; 2(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-; 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone #; D71015; A811147; AC-907/34127045; SR-01000403864; J-640178; J-800179; SR-01000403864-1; W-109120; 4,5-dichloro-2-cyclohexa-1,3-dien-1-yl-pyridazin-3-one;4,5-Dichloro-2-phenylpyridazin-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	224369	.	.	.	.	241.07	C10H6Cl2N2O	32.7	332	2.1	15	0	2	1	InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H	C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl	VKWCOHVAHQOJGU-UHFFFAOYSA-N
DG50609	"5,6,7,8,3',4',5'-Heptamethoxyflavone"	72815	"5,6,7,8,3',4',5'-heptamethoxyflavone; 6965-36-2; 5'-Methoxynobiletin; 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; NSC67580; UNII-FE42EJY6FF; FE42EJY6FF; CHEBI:79477; NSC-67580; 2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-; 5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; NSC 67580; NCIMech_000172; CHEMBL310982; SCHEMBL6839166; DTXSID10219909; ZINC1694496; CCG-35323; LMPK12111494; 5,6,7,8-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; NCI60_026742; 3',4',5,5',6,7,8-Heptamethoxyflavone; 5 inverted exclamation mark -Methoxynobiletin; Q27148553"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67580	.	.	.	.	432.4	C22H24O9	90.9	625	3	31	0	9	8	"InChI=1S/C22H24O9/c1-24-14-8-11(9-15(25-2)17(14)26-3)13-10-12(23)16-18(27-4)20(28-5)22(30-7)21(29-6)19(16)31-13/h8-10H,1-7H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	UAELIRBOLQZEAT-UHFFFAOYSA-N
DG50610	"2H-Pyrano[3,2-g]quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-"	72818	"Coumarin 355; 68975-49-5; UNII-6HJM43VZ3W; 6HJM43VZ3W; NSC338969; 2H-Pyrano[3,2-g]quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 2H-Pyrano(3,2-g)quinolin-2-one, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 9-Ethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one; NSC 338969; CHEMBL1986007; DTXSID2071948; ZINC1578335; 9-ethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one; NSC-338969; 9-Ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one; NCI60_002994; DS-002715; 2H-Pyrano[3, 9-ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)-; 9-Ethyl-6,8,9-tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338969	.	.	.	.	297.27	C15H14F3NO2	29.5	460	3.2	21	0	6	1	"InChI=1S/C15H14F3NO2/c1-2-19-5-3-4-9-6-10-11(15(16,17)18)7-14(20)21-13(10)8-12(9)19/h6-8H,2-5H2,1H3"	CCN1CCCC2=CC3=C(C=C21)OC(=O)C=C3C(F)(F)F	FNGKJWDTEBDTNX-UHFFFAOYSA-N
DG50611	"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-"	72827	"16140-27-5; SW 6; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-; SW-6; UNII-ZOE3WN5620; MLS002702047; NSC166366; 4-(hydroxymethyl)-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one; ZOE3WN5620; 4-(Hydroxymethyl)-1-((2-(1-piperidinyl)ethyl)amino)-9H-thioxanthen-9-one; NSC-166366; SMR001565619; Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-piperidinoethyl)amino)-; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-((2-(1-piperidinyl)ethyl)amino)-; NSC 166366; BRN 1404994; Thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoethyl)amino]-; 4-(hydroxymethyl)-1-{[2-(piperidin-1-yl)ethyl]amino}-9H-thioxanthen-9-one; 4-(Hydroxymethyl)-1-((2-(piperidin-1-yl)ethyl)amino)-9H-thioxanthen-9-one; NCIStruc1_001519; NCIStruc2_001927; cid_72827; CHEMBL1437648; BDBM89486; DTXSID00167147; ZINC3954467; CCG-36952; NCGC00014469; NCI166366; AKOS037647275; NCGC00014469-02; NCGC00097574-01; AS-73124; NCI60_001293; CS-0360172; D92906; Q27295825; 4-methylol-1-(2-piperidinoethylamino)thioxanthen-9-one; 4-(hydroxymethyl)-1-[2-(1-piperidinyl)ethylamino]-9-thioxanthenone; 4-(HYDROXYMETHYL)-1-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO-9H-THIOXANTHEN-9-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166366	.	.	.	.	368.5	C21H24N2O2S	77.9	483	2.8	26	2	5	5	"InChI=1S/C21H24N2O2S/c24-14-15-8-9-17(22-10-13-23-11-4-1-5-12-23)19-20(25)16-6-2-3-7-18(16)26-21(15)19/h2-3,6-9,22,24H,1,4-5,10-14H2"	C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O	WKUYEBVLTZDQDV-UHFFFAOYSA-N
DG50612	Cyclopentenyl cytosine	72828	"cyclopentenyl cytosine; Cyclopentenylcytosine; 90597-22-1; NSC-375575; UNII-69MO0NDN8K; 4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one; NSC375575; 69MO0NDN8K; CHEMBL63647; cCyd; CPE-C; 2(1H)-Pyrimidinone, 4-amino-1-((1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-; 1-((1R,2S,3R)-4-Hydroxymethyl-2,3-dihydroxy-4-cyclopenten-1-yl)cytosine; BRN 4258358; CCRIS 1771; Ce-Cyd; 2(1H)-Pyrimidinone, 4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl]-; SCHEMBL10392960; DTXSID70238212; BDBM50421707; 2(1H)-Pyrimidinone, 4-amino-1-(4,5-dihydroxy-3-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1R-(1-alpha,4-beta,5-beta))-; NCI60_003528; Q27264364; 2(1H)-Pyrimidinone,5-dihydroxy- 3-(hydroxymethyl)-2-cyclopenten-1-yl]-; 4-Amino-1-((1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375575	.	.	.	.	239.23	C10H13N3O4	119	429	-2.4	17	4	4	2	"InChI=1S/C10H13N3O4/c11-7-1-2-13(10(17)12-7)6-3-5(4-14)8(15)9(6)16/h1-3,6,8-9,14-16H,4H2,(H2,11,12,17)/t6-,8-,9+/m1/s1"	C1=CN(C(=O)N=C1N)[C@@H]2C=C([C@H]([C@H]2O)O)CO	DUJGMZAICVPCBJ-VDAHYXPESA-N
DG50613	"4-Amino-1,2-naphthoquinone"	72908	"4-Amino-1,2-naphthoquinone; 4-aminonaphthalene-1,2-dione; 5460-35-5; NSC25028; UNII-R2URY17RR2; R2URY17RR2; CHEMBL60824; 4-Amino-[1,2]naphthoquinone; MLS002639035; CCRIS 6673; 1,2-Naphthalenedione,4-amino-; NSC 25028; cid_72908; SCHEMBL422308; 1,2-Naphthoquinone, 4-amino-; DTXSID60203035; 1,2-Naphthalenedione, 4-amino-; 4-Amino-1,2-naphthalenedione #; HMS3093P17; BDBM50115723; NSC-25028; AKOS006228888; ZINC100314659; SMR001548489; 1, 4-amino- (6CI, 7CI, 8CI); FT-0692400; 2-hydroxy-4-imino-1,4-dihydronaphthalen-1-one; 1,2-Naphthalenedione, 4-(2,2-dimethylhydrazino)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25028	.	.	.	.	173.17	C10H7NO2	60.2	293	0.5	13	1	3	0	"InChI=1S/C10H7NO2/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5H,11H2"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)N	IGONFFFOEMASIA-UHFFFAOYSA-N
DG50614	Viscosin	72937	"Viscosin; 27127-62-4; UNII-085QZ2A9M9; 085QZ2A9M9; (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid; NSC628866; (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-6,12-bis(hydroxymethyl)-9,15-diisobutyl-18-isopropyl-22-methyl-3-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoic acid; CHEMBL4059769; DTXSID40181589; Q27236372; N-[N-[N-[N-[N-[N-[N-[N-[N-[(R)-3-Hydroxy-1-oxodecyl]-L-leucyl]-D-.alpha.-glutamyl]-D-allothreonyl]-D-valyl]-L-leucyl]-D-seryl]-L-leucyl]-D-seryl]-L-isoleucine .upsilon.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628866	.	.	.	.	1126.4	C54H95N9O16	386	2020	5.1	79	13	16	27	"InChI=1S/C54H95N9O16/c1-13-15-16-17-18-19-34(66)25-41(67)55-36(22-28(3)4)47(71)56-35(20-21-42(68)69)46(70)63-45-33(12)79-54(78)44(32(11)14-2)62-51(75)40(27-65)60-48(72)37(23-29(5)6)57-50(74)39(26-64)59-49(73)38(24-30(7)8)58-52(76)43(31(9)10)61-53(45)77/h28-40,43-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,73)(H,60,72)(H,61,77)(H,62,75)(H,63,70)(H,68,69)/t32-,33+,34+,35+,36-,37-,38-,39+,40+,43+,44-,45+/m0/s1"	CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@@H](C)CC)C)O	QYEWAEAWMXRMHB-YFTUCIGFSA-N
DG50615	Methylene violet	73024	"Methylene violet; 2516-05-4; 7-(dimethylamino)phenothiazin-3-one; Dimethylthionoline; 7-(Dimethylamino)-3H-phenothiazin-3-one; 3H-Phenothiazin-3-one, 7-(dimethylamino)-; MLS003106970; UNII-Y3G6PD8NRB; Y3G6PD8NRB; CI 52041; Methylene Violet (Bernthsen); Methylene violet (biological stain); SMR001490544; Methylenviolett; 7-dimethylaminophenothiazin-3-one; Methylene violet Bernthsen; cid_73024; SCHEMBL343918; CHEMBL1713097; DTXSID9062481; SCHEMBL18913618; BDBM81275; ZINC3861522; 7-(dimethylamino)-3-phenothiazinone; EINECS 219-733-4; 6182AF; MFCD00005064; NSC187694; AKOS024282915; MCULE-3271797189; NSC 187694; NSC-187694; J-015843; Q27294218; Methylene Violet (Bernthsen), certified by the Biological Stain Commission, Dye content >=65 %"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	187694	.	.	.	.	256.32	C14H12N2OS	58	464	2.1	18	0	4	1	"InChI=1S/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=O)C=C3S2	ALJHHTHBYJROOG-UHFFFAOYSA-N
DG50616	"Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-"	73056	"Withaferin A diacetate; WITHAFERIN-A DIACETATE; 22848-79-9; NSC328416; NSC 328416; Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-; [(2S)-2-[(1S)-1-(acetoxy-dimethyl-oxo-[ ]yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate; Cyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one, 4-(acetyloxy)-9-[(1S)-1-[(2S)-5-[(acetyloxy)methyl]-3,6-dihydro-4-methyl-6-oxo-2H-pyran-2-yl]ethyl]-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydro-9a,11b-dimethyl-, (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR..."	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328416	.	.	.	.	554.7	C32H42O8	109	1220	4.4	40	0	8	7	"InChI=1S/C32H42O8/c1-16-13-25(39-29(36)21(16)15-37-18(3)33)17(2)22-7-8-23-20-14-28-32(40-28)27(38-19(4)34)10-9-26(35)31(32,6)24(20)11-12-30(22,23)5/h9-10,17,20,22-25,27-28H,7-8,11-15H2,1-6H3/t17-,20-,22+,23-,24-,25-,27-,28+,30+,31-,32+/m0/s1"	CC1=C(C(=O)O[C@@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC(=O)C)C)O5)C)COC(=O)C	KKWMXUXYPBDQQX-GCFZBUCOSA-N
DG50617	Lycoricidine	73065	"LYCORICIDINE; 19622-83-4; NSC 349155; CHEBI:6600; 7-Deoxynarciclasine; NSC349155; (2S,3R,4S,4aR)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one; 7-Deoxy-narciclasine; CHEMBL487798; SCHEMBL13271851; YYDLFVZOIDOGSO-KKBFJBPOSA-; DTXSID10173299; (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4-trihydroxy-, (2S-(2alpha,3beta,4beta,4abeta))-; C08531; Q27107264; [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4-trihydroxy-, (2S,3R,4S,4aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349155	.	.	.	.	291.26	C14H13NO6	108	494	-1.4	21	4	6	0	"InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1"	C1OC2=C(O1)C=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O	YYDLFVZOIDOGSO-KKBFJBPOSA-N
DG50618	Skyrin	73071	"Skyrin; 602-06-2; UNII-VLA1F42GXP; VLA1F42GXP; CHEMBL472851; 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione; NSC361128; (R)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; C30H18O10; 131233-49-3; CCRIS 4401; NSC 361128; Endothianin; Rhodophyscin; 1,1'-Bisemodin; (-)-R-skyrin; (+)-S-Skyrin; SCHEMBL2665352; DTXSID00208943; CHEBI:144311; ZINC5520028; BDBM50388868; BS-1239; NSC-361128; (1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (S)-; NCI60_003292; Q27291883; (-)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-1,1'-bianthraquinone; 1,1'-Bi[anthryl-9,10-dione], 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-; 2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; (S)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone; [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (1S); 35144-94-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361128	.	.	.	.	538.5	C30H18O10	190	1010	5.1	40	6	10	1	"InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O	MQSXZQXHIJMNAF-UHFFFAOYSA-N
DG50619	(3R)-Astragaluquinone	73200	"(3R)-Astragaluquinone; 158991-20-9; Astragaluquinone; CHEMBL1979745; DTXSID70936029; NSC681146; NSC-681146; 2-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-6-hydroxycyclohexa-2,5-diene-1,4-dione; NCI60_028970; 1-(7,8-Dimethoxybenzopyranyl)-4-hydroxybenzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2-(3,4-dihydro-7,8-dimethoxy-2H-1-benzopyran-3-yl)-6-hydroxy-, (R)-; 2-(7,8-Dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-6-hydroxycyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	681146	.	.	.	.	316.3	C17H16O6	82.1	563	1.6	23	1	6	3	"InChI=1S/C17H16O6/c1-21-14-4-3-9-5-10(8-23-16(9)17(14)22-2)12-6-11(18)7-13(19)15(12)20/h3-4,6-7,10,19H,5,8H2,1-2H3/t10-/m0/s1"	COC1=C(C2=C(C[C@@H](CO2)C3=CC(=O)C=C(C3=O)O)C=C1)OC	ZPNCZRGNATWPGL-JTQLQIEISA-N
DG50620	Antibiotic CC 1065	73240	"Antibiotic CC 1065; CC-1065; NSC298223; 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide; 69866-21-3; CHEMBL152578; SCHEMBL14586762; NSC617542; NSC-298223; NSC-617542; NCI60_002495; U-56314; Benzo[1,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298223	.	.	.	.	703.7	C37H33N7O8	210	1610	2.4	52	6	8	4	"InChI=1S/C37H33N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)"	CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N	UOWVMDUEMSNCAV-UHFFFAOYSA-N
DG50621	Fascaplysine	73292	"Fascaplysin; Fascaplysine; 114719-57-2; Fascaplysin chloride; CHEMBL258765; Fascaplisine; NSC622398; NSC-622398; 3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-20-one;chloride; 12,13-dihydro-13-oxo-pyrido[1,2-a:3,4-b']diindol-5-ium, monochloride; Pyrido[1,2-a:3,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-, chloride; GNF-PF-1458; SCHEMBL15531753; HMS3229G10; AKOS040694871; Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride; CCG-206840; Fascaplysin, Synthetic - CAS 114719-57-2; J-003125; Pyrido[1,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-,chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622398	.	.	.	.	306.7	C18H11ClN2O	36.7	451	.	22	1	2	0	InChI=1S/C18H10N2O.ClH/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20;/h1-10H;1H	C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O.[Cl-]	PWUOOJVYZQILBG-UHFFFAOYSA-N
DG50622	alpha-Hederin	73296	"alpha-Hederin; Helixin; Hederoside C; Tauroside E; Kalopanaxsaponin A; Koronaroside A; 27013-91-8; Sapindoside A; Prosapogenin CP3b; Glycoside L-E1; Akeboside Stc; Nepalin 2; Pulsatilla saponin A; UNII-4H15F0GLV2; 4H15F0GLV2; CHEBI:69370; .alpha.-Hederin; Akebia saponin PD; Kizuta saponin K6; Helixin (VAN); alpha-Hederin hydrate; alpha-Hederine; alpha-Hederine [French]; (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4,5-Dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; EINECS 248-166-5; NSC 106553; BRN 0076156; NSC106553; Akebiasaponin PD; Kizutasaponin K6; alpha-Hederin (8CI); Rha-Ara-3beta-hederagenin; 4-17-00-02560 (Beilstein Handbook Reference); CHEMBL447565; SCHEMBL3007691; DTXSID80909168; (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; HY-N0255; s3914; ZINC95098996; AKOS032961986; CCG-270437; CS-5690; (4alpha)-3beta-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxyolean-12-en-28-oic acid; AC-33961; Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3-beta,4-alpha)-; N2051; C08954; Q25105925; 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin; 104748-88-1; 3beta-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid; Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.alpha.-L-arabinopyranosyl]oxy]-23-hydroxy-, (3.beta., 4.alpha.)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106553	.	.	.	.	751	C41H66O12	196	1440	3.6	53	7	12	6	"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1"	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O	KEOITPILCOILGM-LLJOFIFVSA-N
DG50623	Jacaranone	73307	"Jacaranone; 60263-07-2; methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; NSC251682; Jacaramome; Jacaranon; CHEMBL469293; SCHEMBL19624651; WJZSKNRPRWCLLK-UHFFFAOYSA-; DTXSID70975675; ZINC1556409; BDBM50480311; NSC289076; NSC 289076; NSC-251682; NSC-289076; NCI60_002013; methyl (1-hydroxy-4-oxo-2,5-cyclohexandienyl)acetate; Methyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid methyl ester; methyl 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetate; 2,5-Cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251682	.	.	.	.	182.17	C9H10O4	63.6	272	0.2	13	1	4	3	"InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3"	COC(=O)CC1(C=CC(=O)C=C1)O	WJZSKNRPRWCLLK-UHFFFAOYSA-N
DG50624	Digilanide A	73383	"Adigal; Digilanide A; NSC7532; Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-3-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7532	.	.	.	.	969.1	C49H76O19	268	1840	1.8	68	7	19	12	"InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24 ,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1"	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H](C(O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O	YFGQJKBUXPKSAW-OQHPCPMASA-N
DG50625	Solanocapsine	73419	"Solanocapsine; 639-86-1; Solanocapsin; UNII-WWQ51S32N8; NSC102622; CHEBI:9189; WWQ51S32N8; NSC 102622; amino(tetramethyl)[ ]ol; CHEMBL2002365; DTXSID00980818; NSC-102622; NCI60_000071; Q14035668; 16, 3-amino-16,23-epoxy-, (3.beta.,5.alpha.,16.alpha.,22.alpha.,23.beta.,25.beta.)-; (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20R,22S,24R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol; 16,28-Secosolanidan-23-ol, 3-amino-16,23-epoxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)- (9CI); 2-Amino-4a,6a,7,10-tetramethyldocosahydronaphtho[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol; Naphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol,2-aminodocosahydro-4a,6a,7,10-tetramethyl-, (2S,4aS,4bS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102622	.	.	.	.	430.7	C27H46N2O2	67.5	730	5	31	3	4	0	"InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1"	C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O	ZPTJKUUQUDRHTL-QAQRTNARSA-N
DG50626	Fusarubin	73421	"Fusarubin; Oxyjavanicin; 1702-77-8; UNII-7O2VQR7EHB; NSC106193; 7O2VQR7EHB; 3,5,10-trihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-6,9-dione; 1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; 1H-Naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; NSC 106193; SCHEMBL2136657; CHEMBL1224816; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy-; NSC-106193; 3,4-Dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-5,10-dione; NCI60_000144; 1, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy-; 1H-Naphtho[2,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl-; 1,4-Naphthoquinone, 3-acetonyl-5,8-dihydroxy-2-(hydroxymethyl)-6-methoxy- (8CI); 3,5,10-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione #; 3,6,9-trihydroxy-7-methoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione; 1H-Naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-3,6,9-trihydroxy-7-methoxy-3-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106193	.	.	.	.	306.27	C15H14O7	113	542	1.4	22	3	7	1	"InChI=1S/C15H14O7/c1-15(20)4-6-7(5-22-15)13(18)10-8(16)3-9(21-2)14(19)11(10)12(6)17/h3,17-18,20H,4-5H2,1-2H3"	CC1(CC2=C(CO1)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)O	FKJXMYJPOKQPSS-UHFFFAOYSA-N
DG50627	Pinnatifidin	73465	"Pinnatifidin; 35730-85-9; NSC85234; NSC 85234; CHEMBL1971944; DTXSID80957144; NSC-85234; Naphtho(2,3-b)furan-2,7-dione, 3,3a,4,4a,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR-(3aalpha,4aalpha,8abeta,9aalpha))-; NCI60_041868; 5,8a-Dimethyl-3-methylidene-3,3a,4,4a,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85234	.	.	.	.	246.3	C15H18O3	43.4	488	1.8	18	0	3	0	"InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1"	CC1=CC(=O)C[C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C	VTEFIBXQBGMXNK-QVHKTLOISA-N
DG50628	Agroclavine	73484	"Agroclavine; 8,9-Didehydro-6,8-dimethylergoline; (-)-agroclavine; UNII-A8SW57GO7T; Ergoline, 8,9-didehydro-6,8-dimethyl-; (5R,10R)-agroclavine; 6,8-Dimethyl-8,9-didehydroergoline; AGROCLAVIN; 548-42-5; A8SW57GO7T; CHEBI:2519; CHEMBL449081; NSC93132; (6aR,10aR)-7,9-dimethyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline; CCRIS 2099; Indolo(4,3-fg)quinoline, 4,6,6a,7,8,10a-hexahydro-7,9-dimethyl-; EINECS 208-947-3; NSC 93132; BRN 0024966; Lopac-A-206; Biomol-NT_000066; Lopac0_000128; 4-23-00-01623 (Beilstein Handbook Reference); cid_73484; MLS001216424; SCHEMBL183368; BPBio1_001357; ZINC1604018; BDBM50016490; 8,9-Didehydro-6,8-dimethyl-ergoline; CCG-204223; NCGC00015018-01; NCGC00163164-01; SMR000544202; EU-0100128; C09023; SR-01000075354; Q4694226; SR-01000075354-1; 7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline; (6aR,10aR)-7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline; 7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline (Agroclavine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93132	.	.	.	.	238.33	C16H18N2	19	375	2.6	18	1	1	0	"InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1"	CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C	XJOOMMHNYOJWCZ-UKRRQHHQSA-N
DG50629	"N-1-Anthraquinonyl-2,3-dichloropropionamide"	73490	"63915-90-2; NSC 127763; N-1-Anthraquinonyl-2,3-dichloropropionamide; Propionamide, N-(1-anthraquinonyl)-2,3-dichloro-; NSC127763; Anthraquinone, 1-((1,2-dichloroethyl)carbonylimino)-; CHEMBL1966914; SCHEMBL15245122; NSC-127763; NCI60_000635; Propanamide,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-; N-(9,10-Dihydro-9,10-dioxoanthracen-1-yl)-2,3-dichloropropionamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127763	.	.	.	.	348.2	C17H11Cl2NO3	63.2	510	3.8	23	1	3	3	"InChI=1S/C17H11Cl2NO3/c18-8-12(19)17(23)20-13-7-3-6-11-14(13)16(22)10-5-2-1-4-9(10)15(11)21/h1-7,12H,8H2,(H,20,23)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(CCl)Cl	NMNHTHKXGSVAQT-UHFFFAOYSA-N
DG50630	Isoharringtonine	73492	"Isoharringtonine; 26833-86-3; NSC141634; NSC 141634; 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate; Cephalotaxine, 4-methyl-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), (3-(2R,3S))-; CHEMBL1969433; SCHEMBL14698126; 4-Methylcephalotaxine 2,3-dihydroxy-2-(3-methylbutyl)butanedioate ester; NSC-141634; Cephalotaxine, 4-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester); NCI60_000918; Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester); Cephalotaxine, 4-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester) (9CI); Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), [3(2R,3S)]-; Cephalotaxine,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester),[3(2R,3S)]-; O1-(methoxy[ ]yl) O4-methyl (2R,3S)-2,3-dihydroxy-2-isopentyl-butanedioate; Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), (3(2R,3S))- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141634	.	.	.	.	531.6	C28H37NO9	124	939	1.3	38	2	10	10	"InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24-,27+,28-/m1/s1"	CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O	CAOHZEUEVKYHPF-XWHOPEMDSA-N
DG50631	1-Propylagroclavine tartrate	73501	"1-Propylagroclavine tartrate; 89930-60-9; 1-Propylagroclavine hydrogen (2R,3R)-tartrate; CCRIS 2101; NSC 332292; NSC332292; 8,9-Didehydro-6,8-dimethyl-1-propylergoline tartrate; Indolo(4,3-fg)quinoline, ergoline deriv.; Ergoline, 8,9-didehydro-6,8-dimethyl-1-propyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332292	.	.	.	.	430.5	C23H30N2O6	123	563	.	31	4	7	5	"InChI=1S/C19H24N2.C4H6O6/c1-4-8-21-12-14-10-18-16(9-13(2)11-20(18)3)15-6-5-7-17(21)19(14)15;5-1(3(7)8)2(6)4(9)10/h5-7,9,12,16,18H,4,8,10-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-,18-;1-,2-/m11/s1"	CCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	QYFRKSXWBYEURI-XJKHTWGASA-N
DG50632	"(4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride"	73516	"4486-05-9; C.I. 49405; N-(4-((4-(dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; Bindschedlers grun; NSC 7811; Bindschedlers grun [German]; C16H20N3.Cl; NIOSH/BQ1922500; DTXSID60963288; NSC7811; NSC-7811; EINECS 224-773-0; 6346AF; MFCD00031669; AKOS024332831; MCULE-5143443301; DB-051255; BQ19225000; FT-0635324; N14327; Q863659; N1-(4-(DIMETHYLAMINO)PHENYL)-N4,N4-DIMETHYLBENZENE-1,4-DIAMINE HCL; (4-((4-(Dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; (4-((p-(Dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)dimethylammonium; [4-(4-Dimethylamino-phenylimino)-cyclohexa-2,5-dienyliden]-dimethyl-ammonium chloride; Ammonium, dimethyl(4-((4-dimethylaminophenyl)imino)-2,5-cyclohexadien-1-ylidene)-, chloride; Dimethyl(4-((4-dimethylaminophenyl)imino)-2,5-cyclohexadien-1-ylidene)ammonium chloride; 4-{[4-(DIMETHYLAMINO)PHENYL]IMINO}-N,N-DIMETHYLCYCLOHEXA-2,5-DIEN-1-IMINIUM CHLORIDE; Ammonium, (4-((p-(dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)dimethyl-, chloride (8CI); Methanaminium, N-(4-((4-(dimethylamino)phenyl)imino)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (9CI); N-(4-(4-(dimethylamino)phenylimino)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride; N-(4-{[4-(dimethylamino)phenyl]imino}-2,5-cyclohexadien-1-ylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7811	.	.	.	.	289.8	C16H20ClN3	18.6	375	.	20	0	3	2	"InChI=1S/C16H20N3.ClH/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4;/h5-12H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2.[Cl-]	IVNALXNJOCZGMK-UHFFFAOYSA-M
DG50633	New methylene blue	73518	"New methylene blue; Basic blue 24; 1934-16-3; New Methylene Blue N; Methylene Blue NN; UNII-5GCZ112BCN; 5GCZ112BCN; 3,7-Bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride; ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium;chloride; C.I. Basic Blue 24; NSC9605; C.I. Basic Blue 24 (VAN); NSC 9605; EINECS 217-696-9; Sigma B-4631; SCHEMBL220238; DTXSID30894752; NSC-9605; AKOS024287626; New Methylene Blue (C.I. 52030); D91677; Q8214050; Phenothiazin-5-ium,7-bis(ethylamino)-2,8-dimethyl-, chloride; Phenothiazin-5-ium, 3,7-bis(ethylamino)-2,8-dimethyl-, chloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9605	.	.	.	.	347.9	C18H22ClN3S	63.7	516	.	23	2	4	3	"InChI=1S/C18H21N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19H,5-6H2,1-4H3;1H"	CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-]	SQHOAFZGYFNDQX-UHFFFAOYSA-N
DG50634	"Strychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-"	73531	"Strychnidin-10-one, 21,22-dihydro-2,3-dimethoxy-; 21,22-Dihydrobrucine; NSC72917; 34403-90-2; NSC 72917; BRN 0102328; Dihydrobrucine; 21,22-Dihydro-2,3-dimethoxystrychnidin-10-one; 2-27-00-00795 (Beilstein Handbook Reference); 28879-93-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72917	.	.	.	.	396.5	C23H28N2O4	51.2	732	0.8	29	0	5	2	"InChI=1S/C23H28N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h8-9,12-13,18-19,21-22H,3-7,10-11H2,1-2H3/t12 ,13-,18-,19-,21-,22-,23+/m0/s1"	COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCCC6C5)OC	BETNIDISFVHOSJ-KIDVFHKFSA-N
DG50635	"Indolo[2,1-b]quinazoline-6,12-dione"	73549	"Tryptanthrin; Indolo[2,1-b]quinazoline-6,12-dione; 13220-57-0; Tryptanthrine; Couroupitine a; TCMDC-125859; GNF-PF-2691; MFCD00012073; NSC 349447; UNII-4Y6E3F2U66; CHEBI:9768; CHEMBL306946; 4Y6E3F2U66; NSC349447; Indolo(2,1-b)quinazoline-6,12-dione; SR-01000521538; Tryptantherin; Indolo[2,12-dione; Oprea1_754264; 6,12-dihydro-6,12-dioxoindole(2,1-b)quinazoline; MLS001049121; GTPL8224; SCHEMBL2426211; ZINC33299; DTXSID90157431; Tryptanthrin, >=98% (HPLC); HMS2271H05; AMY31414; HY-N6607; 5941AA; BDBM50240612; s5686; STK078931; AKOS000671350; CCG-208326; MCULE-7521697515; NSC-349447; NCGC00160337-01; NCGC00160337-02; DS-15687; NCI60_003113; SMR000386951; SY017117; NCGC00160337-01!TRYPTANTHRINE; CS-0034349; FT-0733127; J-006143; SR-01000521538-1; SR-01000521538-4; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); Q27089028"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349447	.	.	.	.	248.24	C15H8N2O2	49.7	471	2.1	19	0	3	0	InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H	C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2	VQQVWGVXDIPORV-UHFFFAOYSA-N
DG50636	Sellowin A	73589	"Sellowin A; 34198-79-3; NSC329488; (1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione; NSC 329488; CHEMBL1981967; DTXSID80955741; (14xi)-3,15-Dideoxypodolactone B; NSC-329488; NCI60_002880; c030629; (2-hydroxy-1-methyl-ethyl)-dimethyl-[ ]dione; 4-(1-Hydroxypropan-2-yl)-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2H,4H,7H-furo[2',3',4':4,5]bisoxireno[2,3:6,7]naphtho[2,1-c]pyran-2,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329488	.	.	.	.	362.4	C19H22O7	97.9	791	0.1	26	1	7	2	"InChI=1S/C19H22O7/c1-7(6-20)13-19-9(4-10(21)24-13)17(2)5-8-14(23-8)18(3)12(17)11(15(19)26-19)25-16(18)22/h4,7-8,11-15,20H,5-6H2,1-3H3/t7 ,8-,11-,12+,13+,14-,15+,17+,18+,19+/m0/s1"	CC(CO)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(C[C@H]6[C@@H]([C@@]5(C(=O)O4)C)O6)C	HFEAHCITXGPGJQ-BDCUKGRPSA-N
DG50637	Cinerubin B	73593	"Cinerubin B; Cinerubine B; Tauromycetin-III; Antibiotic MA 144B2; NSC 18335; Tavromycetin III; 35906-51-5; MA144 B2; NSC 62490; NSC18335; NSC62490; NSC243023; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10; 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydro-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-; 1-Naphthacenecarboxylic acid,4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulos-1-yl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-; HY-131054; CS-0127563; 1-Naphthacenecarboxylic acid,4-[[[2''',3''-anhydro]-O-3,6-dideoxy-.alpha.-L-erythro-hexopyranos-4-uloslyl-(1-4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-; methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[[(2S,4aS,5aS,7S,9S,9aR,10aR)-2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[[ ],[ ]][1,4]dioxin-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18335	.	.	.	.	825.8	C42H51NO16	226	1610	4	59	4	17	8	"InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O	ZBDDFHXUDIPRSM-DQCCILMQSA-N
DG50638	Neotenone	73603	"Neotenone; Neorautenone; 10091-02-8; UNII-D08G5O2Y2W; D08G5O2Y2W; NSC361413; 6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one; 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-one; 6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo(3,2-g)(1)benzopyran-5-one; NSC 361413; CHEMBL1988403; LMPK12050454; NSC-361413; 5H-Furo(3,2-g)(1)benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-; NCI60_003294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361413	.	.	.	.	338.3	C19H14O6	67.1	524	3.3	25	0	6	2	"InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3"	COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2	JZNIBAUSQWDFGE-UHFFFAOYSA-N
DG50639	4beta-Hydroxywithanolide E	73621	"4beta-Hydroxywithanolide E; 4-beta-Hydroxywithanolide E; 4beta-hydroxywithanolide; 54334-04-2; CHEMBL502563; NSC212509; 5beta,6beta-epoxy-4beta,14,17alpha,20,22R-pentahydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, -lactone; Withanolide E, 4-beta-hydroxy-; NSC 212509; 4.beta.-Hydroxywithanolide E; CHEBI:176191; BDBM50480318; WITHANOLIDE E, 4-B-HYDROXY-; NSC-212509; 5,6-Epoxy-4,14,17,20,22-pentahydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (4-beta,5-beta,6-beta,17-alpha,22R)-; NCI60_001790; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone; (17S,22R)-5,6beta-Epoxy-4beta,14,17,20,22-pentahydroxy-1-oxo-5beta-ergosta-2,24-diene-26-oic acid delta-lactone; (1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; Ergosta-2, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,17.alpha.,22R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212509	.	.	.	.	502.6	C28H38O8	137	1130	0.6	36	4	8	2	"InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O)O)C	UPBUGICUKQIKTJ-KABTZXSUSA-N
DG50640	2-Demethyl-N-trifluoroacetyl-deacetylcolchicine	73627	"NSC335989; NSC 335989; 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine; 86436-46-6; Acetamide, N-(2-hydroxy-9-oxo-1,3,10-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-2,2,2-trifluoro-; MLS002701827; BRN 4829346; CHEMBL27910; DTXSID80235550; Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; ZINC4583474; COLCHINE, N-TRIFLUORO ACETYL; NSC-335989; 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; NCI60_002948; (S)-7alpha-Trifluoroacetylamino-6,7-dihydro-2-hydroxy-1,3,10-trimethoxybenzo[a]heptalen-9(5H)-one; Acetamide,2,2-trifluoro-N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335989	.	.	.	.	439.4	C21H20F3NO6	94.1	818	1.7	31	2	9	4	"InChI=1S/C21H20F3NO6/c1-29-15-7-5-11-12(9-14(15)26)13(25-20(28)21(22,23)24)6-4-10-8-16(30-2)18(27)19(31-3)17(10)11/h5,7-9,13,27H,4,6H2,1-3H3,(H,25,28)/t13-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F	BXGLTIXFXLUVOH-ZDUSSCGKSA-N
DG50641	Tetracenomycin C	73632	"Tetracenomycin C; 71135-22-3; methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate; NSC 309451; CHEBI:9470; NSC309451; 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,10a,12, -tetrahydroxy-3, -dimethoxy-1-methyl-6,11, -trioxo-, methyl ester; methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate; C06801; Q27108403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309451	.	.	.	.	472.4	C23H20O11	177	959	0.4	34	4	11	4	"InChI=1S/C23H20O11/c1-8-14-9(6-11(32-2)15(8)21(29)34-4)5-10-16(17(14)25)20(28)22(30)13(24)7-12(33-3)19(27)23(22,31)18(10)26/h5-7,19,25,27,30-31H,1-4H3/t19-,22-,23-/m1/s1"	CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)O)OC)C(=O)OC	ULHJWHCSSAEMLW-UEVCKROQSA-N
DG50642	Hydroxyaspergillic acid	73679	"Hydroxyaspergillic acid; ASPERGILLIC ACID, HYDROXY; Aspergillic acid, hydroxy-; 4562-39-4; MLS002919939; NSC127445; 19833-47-7; Hhmmpp; BRN 0655115; NSC 127445; alpha-Ethyl-6-hydroxy-5-isobutyl-alpha-methylpyrazinemethanol 1-oxide; Pyrazinemethanol, alpha-ethyl-6-hydroxy-5-isobutyl-alpha-methyl-, 1-oxide; Pyrazinemethanol, alpha-ethyl-6-hydroxy-5-alpha-methyl-5-(2-methylpropyl)-, 1-oxide; CHEMBL1977664; DTXSID80941669; 1-Hydroxy-6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-2(1H)-pyrazinone; NSC-127445; NCI60_000625; SMR001797538; 1-Hydroxy-6-(2-hydroxybutan-2-yl)-3-(2-methylpropyl)pyrazin-2(1H)-one; 2(1H)-Pyrazinone, 1-hydroxy-6-(1-hydroxy-1-methylpropyl)-3-(2-methylpropyl)-, (11beta,16alpha)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127445	.	.	.	.	240.3	C12H20N2O3	73.1	374	1	17	2	4	4	"InChI=1S/C12H20N2O3/c1-5-12(4,16)10-7-13-9(6-8(2)3)11(15)14(10)17/h7-8,16-17H,5-6H2,1-4H3"	CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O	ARNQMQXMJRUMRP-UHFFFAOYSA-N
DG50643	Gallocyanine	73801	"GALLOCYANINE; 1562-85-2; Gallocyanin; 1-Carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride; Solid Violet; Gallocyanine BS; Gallocyanine DH; Fast Violet; Anthracene Blue SWGG; Alizarine Navy Blue AT; Brilliant Chrome Blue P; C.I. Mordant Blue 10; Mordant blue 10; C.I. 51030; UNII-8S1S2GY38K; MFCD00011926; 7-(dimethylamino)-4-hydroxy-3-oxophenoxazin-10-ium-1-carboxylic acid;chloride; 8S1S2GY38K; CHEBI:90106; NSC103779; Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride; Phenoxazin-5-ium, 1-carboxy-7-(dimethylamino)-3,4-dihydroxy-, chloride (1:1); 7-Dimethylamino-4-hydroxy-3-oxo-phenoxazine-1-carboxylic acid; NSC47701; NSC-103779; EINECS 216-345-7; NSC 47701; NSC 103779; SCHEMBL218915; CHEMBL1966521; Gallocyanine, Dye content 90 %; C.I. Mordant Blue 10 (8CI); 7833AA; NSC-47701; AKOS015903750; AKOS024319602; CCG-267875; MCULE-4934264418; AS-75495; FT-0626603; A883589; J-009292; Q19597271; Phenoxazin-5-ium,1-carboxy-7-(dimethylamino)-3,4-dihydroxy-,chloride(1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103779	.	.	.	.	336.72	C15H13ClN2O5	101	632	.	23	3	7	2	"InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H"	CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.[Cl-]	AQSOTOUQTVJNMY-UHFFFAOYSA-N
DG50644	Bis((3-pyridyl)methyl)amine	74257	"1656-94-6; 3,3'-Dipicolylamine; bis(pyridin-3-ylmethyl)amine; Bis((3-pyridyl)methyl)amine; bis(3-pyridylmethyl)amine; Bis-pyridin-3-ylmethyl-amine; Pyridine, 3,3'-(iminodimethylene)di-; 3,3'-(Iminodimethylene)dipyridine; 1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine; Bis[(3-pyridyl)methyl]amine; NSC86140; 3-Pyridinemethanamine, N-(3-pyridinylmethyl)-; N,N-bis(pyridin-3-ylmethyl)amine; NSC-86140; EINECS 216-753-5; NSC 86140; 3,3-DIPICOLYLAMINE; BRN 0162467; bis(3-pyridylmethyl) amine; NCIStruc1_000139; NCIStruc2_000137; 5-22-09-00321 (Beilstein Handbook Reference); SCHEMBL2861457; bis[(pyridin-3-yl)methyl]amine; CHEMBL1533033; FEBQXMFOLRVSGC-UHFFFAOYSA-; DTXSID50167990; alpha,alpha'-Iminodi(3-picoline); HMS1704O20; ZINC333231; Pyridine,3'-(iminodimethylene)di-; ALBB-005246; NCI86140; STR04757; 5311AD; CCG-36273; MFCD00038043; NCGC00013903; STK500585; AKOS000302502; MCULE-1991166952; SB53047; NCGC00013903-02; NCGC00097012-01; NCI60_041905; BB 0220064; D1199; FT-0753680; N-(3-Pyridinylmethyl)-3-pyridinemethanamine; 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine; pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine; T70390; 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine #; A882378; AG-390/25100010; 1-(pyridin-3-yl)-N-(pyridin-3-ylmethyl)methanamine; 3-Pyridinemethanamine, N-(3-pyridinylmethyl)- (9CI); 3-Pyridinyl-N-(3-pyridinylmethyl)methanamine, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86140	.	.	.	.	199.25	C12H13N3	37.8	154	0.8	15	1	3	4	"InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2"	C1=CC(=CN=C1)CNCC2=CN=CC=C2	FEBQXMFOLRVSGC-UHFFFAOYSA-N
DG50645	"1,4-Benzenediol, 2-octyl-"	74352	"2-octylbenzene-1,4-diol; 2-Octylhydroquinone; 1706-69-0; 1,4-Benzenediol, 2-octyl-; Hydroquinone, octyl-; octylhydroquinone; UNII-3SP3K6Z2GU; 3SP3K6Z2GU; NSC99310; 1, 2-octyl-; NCIOpen2_006593; SCHEMBL69169; DTXSID8061892; ZINC1654161; EINECS 216-945-9; NSC 99310; NSC-99310; AKOS022181500; MCULE-3587916931; FT-0657834; Q27257987"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99310	.	.	.	.	222.32	C14H22O2	40.5	170	5.3	16	2	2	7	"InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,15-16H,2-8H2,1H3"	CCCCCCCCC1=C(C=CC(=C1)O)O	ZZXILYOBAFPJNS-UHFFFAOYSA-N
DG50646	"1,4-Benzenediol, 2-(phenylmethyl)-"	74354	"1,4-Benzenediol, 2-(phenylmethyl)-; 1706-73-6; 2-benzylbenzene-1,4-diol; 2-Benzylhydroquinone; 2-(Phenylmethyl)-1,4-benzenediol; Monobenzylhydroquinone; hydroquinone derivative, 2a; BMC171353 Compound 6b; SCHEMBL390179; CHEMBL481994; DTXSID2073273; BDBM34111; NSC99303; ZINC1654158; NSC 99303; NSC-99303; DA-28952; NCI60_042224; FT-0733773"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99303	.	.	.	.	200.23	C13H12O2	40.5	187	3.1	15	2	2	2	"InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2"	C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)O	NEWPHVNFSATQRX-UHFFFAOYSA-N
DG50647	Tetrazolium violet	74395	"TETRAZOLIUM VIOLET; 1719-71-7; Violet tetrazolium; Tetrazolium purple; TV; 2,5-Diphenyl-3-(1-naphthyl)tetrazolium chloride; 2,5-Diphenyl-3(1-naphthyl)-2H-tetrazolium chloride; CHEBI:75193; MFCD00011875; 3-(naphthalen-1-yl)-2,5-diphenyl-2H-tetrazol-3-ium chloride; EINECS 217-008-7; NSC 89171; TETRAZOLIUMVIOLET; SCHEMBL134943; CHEMBL272093; 2H-Tetrazolium, 3-(1-naphthyl)-2,5-diphenyl-, chloride; DTXSID70938063; AMY39290; NSC89171; Tetrazolium Violet, >=94% (AT); 2H-Tetrazolium, 3-(1-naphthalenyl)-2,5-diphenyl-, chloride (9CI); NSC-89171; AKOS015896126; MCULE-9362400237; LS-14981; FT-0654502; T0174; D92314; T-2600; Q27145161; 3-(1-naphthyl)-2,5-diphenyl-2H-tetrazol-3-ium chloride; 104117-26-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89171	.	.	.	.	384.9	C23H17ClN4	34.6	471	.	28	0	3	3	InChI=1S/C23H17N4.ClH/c1-3-11-19(12-4-1)23-24-26(20-14-5-2-6-15-20)27(25-23)22-17-9-13-18-10-7-8-16-21(18)22;/h1-17H;1H/q+1;/p-1	C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]	RONADMZTCCPLEF-UHFFFAOYSA-M
DG50648	"1,5-Bis(chloromethyl)naphthalene"	74424	"1,5-Bis(chloromethyl)naphthalene; 1733-76-2; UNII-6PM4HK5WJ6; 6PM4HK5WJ6; NSC83233; EINECS 217-070-5; ARSENICTRIOXIDE; Enamine_005031; SCHEMBL2468219; 1,5-di(chloromethyl)naphthalene; AMY9374; DTXSID90169579; Naphthalene,5-bis(chloromethyl)-; HMS1408E15; BAA73376; ZINC1730660; NSC 83233; NSC-83233; Naphthalene, 1,5-bis(chloromethyl)-; AKOS000122293; CS-W004446; IDI1_007618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83233	.	.	.	.	225.11	C12H10Cl2	0	161	4.4	14	0	0	2	"InChI=1S/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2"	C1=CC(=C2C=CC=C(C2=C1)CCl)CCl	HJTAZXHBEBIQQX-UHFFFAOYSA-N
DG50649	Irinotecan hydrochloride	74990	"Irinotecan hydrochloride; 100286-90-6; Irinotecan Hcl; Topotecin; Campto; Camptothecin 11 hydrochloride; Camptosar; CPT 11; CPT-11; Irinotecan (hydrochloride); Camptothecin 11; UNII-06X131E4OE; U 101440E; CHEBI:5971; (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; Camptothecin analog; 06X131E4OE; 7-Ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxy camptothecin hydrochloride; NSC616348; NSC-616348; NCGC00095190-01; MFCD01862255; DSSTox_CID_25953; DSSTox_RID_81249; DSSTox_GSID_45953; [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride; U-101440E; CAS-100286-90-6; DQ-2805; NSC-759878; Irinotecan hydrochloride [USAN:JAN]; Irinotecanhydrochloride; CPT-11 hydrochloride; irinotecan monohydrochloride; SCHEMBL4033; Camptosar (TN) (Pharmacia); (S)-[1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester hydrochloride; C33H38N4O6.HCl; SPECTRUM1505821; CHEMBL541887; DTXSID6045953; HMS1922J04; Pharmakon1600-01505821; AMY24895; BCP17234; irinotecan hydrochloride (anhydrous); Tox21_111479; HY-16562A; NSC759878; s5026; AKOS015901921; Tox21_111479_1; CCG-213561; MCULE-3850427409; NCGC00095190-02; NCGC00178697-04; (1,4'-Bipiperidine)-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride; (1,4'-Bipiperidine)-1'-carboxylic acid, 3,4,12,14-tetrahydro-4,11-diethyl-4-hydroxy-3,4-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, (S)-; AC-28335; AS-13304; H851; I0714; Irinotecan hydrochloride, topoisomerase inhibitor; 286I906; A897508; SR-01000763864; Q-100016; SR-01000763864-3; Q27106952; Z1550648758; (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylic acid ester hydrochloride; (4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride; [(19S)-10,19-Diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate hydrochloride; [1, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride (S)-; [1,4'-Bipiperidine]-1'-carboxylic acid,(4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride; 1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616348	.	.	.	.	623.1	C33H39ClN4O6	113	1200	.	44	2	8	5	"InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl	GURKHSYORGJETM-WAQYZQTGSA-N
DG50650	"2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-"	75160	"2208-20-0; 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-; 3-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide; Naphthol AS-AN; UNII-98QD7VL4MX; 98QD7VL4MX; CHEMBL294267; C.I. 37516; C.I. Azoic Coupling Component 27; 3-hydroxy-4'-nitro-2-naphthanilide; 3-hydroxy-N-(4-nitrophenyl)-2-Naphthalenecarboxamide; SCHEMBL9120655; DTXSID6062252; NSC37608; ZINC4783244; BDBM50091998; NSC 37608; NSC-37608; Naphthol AS-AN (C.I. 37516); 2-Naphthanilide, 3-hydroxy-4'-nitro-; DA-23541; FT-0757849; 2-Naphthanilide, 3-hydroxy-4'-nitro- (8CI); (3-Hydroxy(2-naphthyl))-N-(4-nitrophenyl)carboxamide; 3-Hydroxy-naphthalene-2-carboxylic acid (4-nitro-phenyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37608	.	.	.	.	308.29	C17H12N2O4	95.2	442	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-10-12-4-2-1-3-11(12)9-15(16)17(21)18-13-5-7-14(8-6-13)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O	ANHISTOUUYKCMS-UHFFFAOYSA-N
DG50651	4-(2-Thiazolylazo)resorcinol	75253	"4-(2-Thiazolylazo)resorcinol; 2246-46-0; 4-(Thiazol-2-yldiazenyl)benzene-1,3-diol; 4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol; 1,3-Benzenediol, 4-(2-thiazolylazo)-; EINECS 218-836-1; MLS000757077; MFCD00005322; (E)-4-(thiazol-2-yldiazenyl)benzene-1,3-diol; TAR [=4-(2-THIAZOLYLAZO)RESORCINOL] [METAL INDICATOR AND SPECTROPHOTOMETRIC REAGENT FOR TRANSITION METALS]; 4-(Thiazol-2-ylazo)resorcinol; 2-(2,4-Dihydroxyphenylazo)thiazole; NSC298197; 4-(2-THIAZOLYLAZO) RESORCINOL; NSC 298197; SCHEMBL1683188; CHEMBL1433124; CHEMBL4296835; HMS2862H16; CAA24646; ZINC18205237; ZINC95932532; 4-(2-Thiazolylazo)resorcinol, 97%; AKOS015903424; AKOS030228182; ZINC100019645; ZINC100798681; ZINC253979498; MCULE-6831628850; NSC-298197; NCGC00246782-01; AS-64484; SMR000528892; DB-045929; FT-0616562; T70594; A816216; J-014727; 4-[(E)-1,3-Thiazol-2-yldiazenyl]-1,3-benzenediol #; 4-[(1E)-2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol; (4E)-3-hydroxy-4-(thiazol-2-ylhydrazono)cyclohexa-2,5-dien-1-one; 3-hydroxy-4-(1,3-thiazol-2-ylhydrazono)cyclohexa-2,5-dien-1-one; 96627-60-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298197	.	.	.	.	221.24	C9H7N3O2S	106	239	2.4	15	2	6	2	"InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H"	C1=CC(=C(C=C1O)O)N=NC2=NC=CS2	SHNIKUXMZFPPCS-UHFFFAOYSA-N
DG50652	"2,6-Dichloro-7-methylpurine"	75281	"2,6-Dichloro-7-methylpurine; 2273-93-0; 2,6-Dichloro-7-methyl-7H-purine; 7H-Purine, 2,6-dichloro-7-methyl-; Purine, 2,6-dichloro-7-methyl-; MLS002638028; MFCD00039690; NSC 7853; BRN 0174289; NSC7853; 5-26-11-00258 (Beilstein Handbook Reference); Purine,6-dichloro-7-methyl-; SCHEMBL183091; CHEMBL1707176; DTXSID40177265; 7H-Purine,6-dichloro-7-methyl-; HMS3093O20; 2,6 dichloro-7-methyl-7H-purine; 7-methyl-2,6-dichloro-7H-purine; ACT05795; AMY20143; NSC-7853; ZINC1581332; STK869238; 2,6-bis(chloranyl)-7-methyl-purine; AKOS005263779; CS-W002180; DS-0931; MCULE-9790728661; SMR001547530; SY008155; U940; DB-005886; FT-0601217; 2,6-Dichloro-7-methyl-7H-purine, AldrichCPR; 273D930; A816332; AG-687/20226061; W-206779"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7853	.	.	.	.	203.03	C6H4Cl2N4	43.6	179	2	12	0	3	0	"InChI=1S/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3"	CN1C=NC2=C1C(=NC(=N2)Cl)Cl	HVMUWHZAZGTMJK-UHFFFAOYSA-N
DG50653	"1H-Pyrazolo[3,4-d]pyrimidin-4-amine"	75420	"1H-Pyrazolo[3,4-d]pyrimidin-4-amine; 2380-63-4; 4-Aminopyrazolo[3,4-d]pyrimidine; 4-Amino-1H-pyrazolo[3,4-D]pyrimidine; Pyrazoloadenine; 4-Aminopyrazolopyrimidine; 1H-Pyrazolo[3,4-d]pyrimidin-4-ylamine; 4-Aminopyrazolo(3,4-d)pyrimidine; 4 APP; 4-App; 8-Aza-7-deazaadenine; 2H-Pyrazolo[3,4-d]pyrimidin-4-amine; 64834-00-0; 4-Aminopyrazole(3,4-d)pyrimidine; NSC 1393; UNII-0356MAT9LX; 1H-Pyrazolo(3,4-d)pyrimidin-4-amine; 0356MAT9LX; CHEMBL388593; 4-aminopyrazolo-(3,4-d)pyrimidine; 4-amino-pyrazolo(3,4-D)pyrimidine; MFCD00005688; 1H-Pyrazolo(3,4-d)pyrimidine, 4-amino-; 1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-; 4-Aminopyrazole[3,4-d]pyrimidine; 4-Amino-pyrazolo[3,4-d]pyrimidine; EINECS 219-174-6; BRN 0005824; AI3-52467; TVW; SCHEMBL11362; BIDD:GT0454; DTXSID3062362; NSC1393; 4-aminopyrazolo[5,4-d]pyrimidine; Pyrazolo(3,4-d)pyrimidin-4-amine; ALBB-025758; BCP01216; CS-D1726; NSC-1393; BBL002049; BDBM50208876; STK803066; ZINC13542589; AKOS004910187; AB00505; AC-8162; AT24508; MCULE-9994145079; QC-6915; SB12011; 1H-pyrazolo[3, 4-d]pyrimidin-4-amine; 4-Amino-1,2,5,7-tetraaza-1H-indene; 4-Aminopyrazolo[3,4-d]pyrimidine, 98%; BP-12357; SY007560; TS-00024; 2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine; DB-045158; DB-073540; A4965; AM20090259; FT-0617604; FT-0740764; X4808; Y5081; 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-YLAMINE; A814399; AB-323/25048512; W-200546; W-201772; Q27247530; Z57101323; F9995-0069"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1393	.	.	.	.	135.13	C5H5N5	80.5	127	-0.2	10	2	4	0	"InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)"	C1=NNC2=NC=NC(=C21)N	LHCPRYRLDOSKHK-UHFFFAOYSA-N
DG50654	3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride	75442	"Safranin bluish; Basic Violet 8; 2390-56-9; Safranine Bluish; Safranine 6B; Safranine 8B; Dimethylphenosafranine; Methylene Violet BN; 3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride; C.I. Basic Violet 5; Phenosafranine, dimethyl-; C.I. 50205; 8004-94-2; Phenazinium, 3-amino-7-(dimethylamino)-5-phenyl-, chloride; 2-N,2-N-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride; Phenazinium,2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1); Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1); Basic Violet 5; Methylene Violet 3RD; NSC 9404; NSC 9594; EINECS 219-229-4; Phenazinium; 3-amino-7-(dimethylamino)-5-phenylphenazin-5-ium chloride; CHEMBL461521; SCHEMBL6257184; NSC9404; NSC9594; NSC-9404; NSC-9594; MFCD00059988; D89104"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9404	.	.	.	.	350.8	C20H19ClN4	46	420	.	25	1	4	2	"InChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H"	CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]	SQHWUYVHKRVCMD-UHFFFAOYSA-N
DG50655	Basic blue 7	75444	"Basic blue 7; Victoria Pure Blue BO; 2390-60-5; Victoria blue BO; C.I. Basic Blue 7; Eljon Blue Toner; Silosuper Blue B; Victoria Blue FBO; Victoria Pure Blue; Victoria Pure Blue RB; Aizen Victoria Blue BO; Calcozine Pure Blue BO; Victoria Pure Blue BGO; Victoria Pure Blue BOC; Victoria Pure Blue BOD; Victoria Pure Blue BON; Victoria Pure Blue BOP; Victoria Pure Blue FBO; Victoria Pure Lake Blue; Hidaco Victoria Blue BGO; Sicilian Blue X-2758; Victoria Blue BON 110; Brilliant Victoria Blue RB; Brilliant Victoria Blue RS; Victoria Pure Ink Blue BO; Victoria Blue, Green Shade; Victoria Pure Lake Blue BO; Mitsui Victoria Pure Blue BO; Aizen Victoria Pure Blue BOH; No. 3772 Forthbrite Blue B; UNII-30F6F48H95; C.I. 42595; Victoria Pure Blue BO CI 42595; MFCD00011877; 30F6F48H95; [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride; Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; N-(4-((4-(Diethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride; C33H40N3.Cl; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1); Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1); EINECS 219-232-0; NSC 51534; VB-BO; DSSTox_CID_18888; DSSTox_RID_79417; DSSTox_GSID_38888; SCHEMBL23596; SCHEMBL456095; CHEMBL3182706; DTXSID5038888; C.I. Basic Blue 7 (8CI); CAA39060; NSC51534; Tox21_301536; NSC-51534; AKOS015901188; AKOS015903549; MCULE-4557940631; NCGC00255579-01; CI 42595; T290; CAS-2390-60-5; Victoria Pure Blue BO (C.I. 42595); Victoria Pure Blue BO, analytical standard; Victoria Pure Blue BO, Dye content 90 %; B1301; FT-0622579; D88781; Q421673; J-015266; [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium,chloride; (4-(4-(Diethylamino)-alpha-(4-(ethylamino)-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium chloride; [4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;chloride; [4-[4-(diethylamino)- -[4-(ethylamino)-1-naphthyl]benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium chloride; Ethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride; N-(4-((4-(Diethylamino)phenyl)(4-(ethylamino)-1-naphthalenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chloride; N-(4-((4-(diethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-ethylethanaminium chloride; N-(4-{[4-(diethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51534	.	.	.	.	514.1	C33H40ClN3	20.4	722	.	37	1	3	9	"InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H"	CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14.[Cl-]	ROVRRJSRRSGUOL-UHFFFAOYSA-N
DG50656	1-(1-Naphthylazo)-2-naphthol	75859	"2653-64-7; 1-(1-Naphthylazo)-2-naphthol; Solvent Red 4; 2-Naphthalenol, 1-(1-naphthalenylazo)-; Fat Bordeaux; Pigment Bordeaux; Grasal Red; Fat Bordeaux R; Waxoline Red BN; Oil Dark Red; Pigment Red RLP; Autol Red RLP; C.I. Pigment Red 40; Bordeaux P51N; Bordeaux P51R; Lutetia Bordeaux B; Pigment Bordeaux N; Somalia Bordeaux R; Pigment Red 40; Sudan Red 2R; Oil Red IIR; Organol Mahogany TJ; Oil Red 2R; Red 2R; C.I. 12170; UNII-EVE9WNU99R; Dainichi Naphthylamine Bordeaux 5B; C.I. Solvent Red 4; EVE9WNU99R; NSC45575; 1-(Naphthalen-1-yldiazenyl)naphthalen-2-ol; Naphthylamine Bordeaux (diluted with Barium Sulfate); Oil Red (VAN); 2-Naphthalenol, 1-(2-(1-naphthalenyl)diazenyl)-; 2-Naphthalenol, 1-[2-(1-naphthalenyl)diazenyl]-; hydroxyazonaphthalene; EINECS 220-176-4; NSC 45575; NSC 47713; Naphthylamine Bordeaux; NCIMech_000304; SCHEMBL6862789; CHEMBL1994043; CHEMBL2000781; DTXSID3062576; SCHEMBL10997729; SCHEMBL11876684; C.I. Solvent Red 4 (8CI); CAA65364; NSC47713; CCG-35432; NSC-45575; NSC-47713; ZINC17303134; ZINC102958348; NCI60_004070; NCI60_004125; C.I.12170; N0307; (E)-1-(Naphthalen-1-yldiazenyl)naphthalen-2-ol; 1-[2-(1-Naphthyl)hydrazono]naphthalene-2(1H)-one; Q27277376; 40339-37-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47713	.	.	.	.	298.3	C20H14N2O	45	424	5.8	23	1	3	2	"InChI=1S/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H"	C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC=CC=C43)O	CYZWPZHRSZNWLS-UHFFFAOYSA-N
DG50657	Methylene green	75889	"Methylene green; 2679-01-8; Basic Green 5; C.I. Basic Green 5; 3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride; UNII-F1IO2ZP7BU; F1IO2ZP7BU; Phenothiazin-5-ium, 3,7-bis(dimethylamino)-4-nitro-, chloride; [7-(dimethylamino)-4-nitrophenothiazin-3-ylidene]-dimethylazanium;chloride; METHYLENEGREEN; C.I. Basic Green 5 (VAN); Methylene green (VAN); C.I. 52020; NSC 9403; EINECS 220-231-2; NSC 367083; SCHEMBL43823; SCHEMBL17591862; CHEBI:87675; DTXSID70949598; NSC9403; NSC-9403; NSC367083; 7-(Dimethylamino)-6-nitro-3H-phenothiazin-3-ylidene)dimethylammonium chloride; AKOS024375417; AKOS025311082; MCULE-8429655307; NSC-367083; M677; J-016547; Q10858041; WLN: T C666 BN ISJ FN1&1 GNW LN1&1 &Q &G; Phenothiazin-5-ium,7-bis(dimethylamino)-4-nitro-, chloride; 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLICACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9403	.	.	.	.	364.9	C16H17ClN4O2S	89.7	654	.	24	0	6	1	"InChI=1S/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].[Cl-]	YYGBVRCTHASBKD-UHFFFAOYSA-M
DG50658	Janus green B	76123	"Janus green B; 2869-83-2; Janus Green V; JanusGreenB; UNII-B9KQ101KHX; C.I. 11050; Janus green B, > 60% dye content; MFCD00011758; B9KQ101KHX; 3-(Diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride; Janus Green B (C.I. 11050); (E)-3-(diethylamino)-7-((4-(dimethylamino)phenyl)diazenyl)-5-phenylphenazin-5-ium chloride; 3-(Diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride; Diazin Green S; Phenazinium, 3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenyl-, chloride; Phenazinium, 3-(diethylamino)-7-[2-[4-(dimethylamino)phenyl]diazenyl]-5-phenyl-, chloride (1:1); Union Green B; Phenazinium, 3-(diethylamino)-7-[[4-(dimethylamino)phenyl]azo]-5-phenyl-, chloride; EINECS 220-695-6; NSC 13986; Janusgreen B; Phenazinium, 3-(diethylamino)-7-(2-(4-(dimethylamino)phenyl)diazenyl)-5-phenyl-, chloride (1:1); Janus Green B chloride; C30H31ClN6; SCHEMBL285454; CHEBI:21184; DTXSID80883898; AMY22392; NSC13986; NSC-13986; 3-Diethylamino-7-(4-dimethylaminophenylazo)-5-phenylphenazinium chloride; AKOS015902962; MCULE-8496979097; Phenazinium, 3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenyl-, chloride; M594; FT-0627546; J0002; D91221; Q418288; J-017200; 3-(Diethylamino)-7-((4-(dimethylamino)phenyl)diazenyl)-5-phenylphenazin-5-ium chloride; 3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride; Janus Green B, certified by the Biological Stain Commission, Dye content 65 %; 8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenylphenazin-10-ium-2-amine;chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13986	.	.	.	.	511.1	C30H31ClN6	48	694	.	37	0	6	7	"InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5.[Cl-]	XXACTDWGHQXLGW-UHFFFAOYSA-M
DG50659	1-(Iodomethyl)-4-nitrobenzene	76598	"1-(Iodomethyl)-4-nitrobenzene; 3145-86-6; p-Nitrobenzyl iodide; alpha-Iodo-p-nitrotoluene; Benzene, 1-(iodomethyl)-4-nitro-; 4-NITROBENZYL IODIDE; 1-Iodomethyl-4-nitrobenzene; Benzene,1-(iodomethyl)-4-nitro-; EINECS 221-557-8; NSC401699; AI3-50469; 1-Iodomethyl-4-nitro-benzene; SCHEMBL173192; ALPHA-IODO-4-NITROTOLUENE; DTXSID60185367; 1-(Iodomethyl)-4-nitrobenzene #; ZINC1594292; MFCD00024777; AKOS014117576; AS-9050; MCULE-1754990002; NSC 401699; NSC-401699; DB-048040; FT-0634694"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401699	.	.	.	.	263.03	C7H6INO2	45.8	138	3.2	11	0	2	1	"InChI=1S/C7H6INO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2"	C1=CC(=CC=C1CI)[N+](=O)[O-]	INKNHBKFSPIMKS-UHFFFAOYSA-N
DG50660	"Allyl 2,4,6-tribromophenyl ether"	76767	"3278-89-5; Allyl 2,4,6-tribromophenyl ether; 2-ALLYLOXY-1,3,5-TRIBROMOBENZENE; 1,3,5-tribromo-2-prop-2-enoxybenzene; 1,3,5-Tribromo-2-(prop-2-en-1-yloxy)benzene; 2-(Allyloxy)-1,3,5-tribromobenzene; UNII-2QB5393K07; 2,4,6-Tribromophenylallyl ether; 2,4,6-tribromophenyl allyl ether; Ether, allyl 2,4,6-tribromophenyl; NSC 35767; Benzene, 1,3,5-tribromo-2-(2-propen-1-yloxy)-; Benzene, 1,3,5-tribromo-2-(2-propenyloxy)-; 1,3,5-Tribromo-2-(2-propen-1-yloxy)-benzene; 2QB5393K07; TBP-AE; NSC35767; EINECS 221-913-2; Great lakes PHE-65; Ether,4,6-tribromophenyl; DSSTox_CID_24918; DSSTox_RID_80585; DSSTox_GSID_44918; SCHEMBL42433; 2,6-Tribromophenylallyl ether; Allyl 2,6-tribromophenyl ether; CHEMBL3188631; DTXSID3044918; 2,4,6-Tribromophenoxypropene-2; ZINC1668379; Tox21_301711; FR-913; MFCD00017773; NSC-35767; Tribromophenol allyl ether (Related); AKOS015889437; Tribromo phenyl allyl ether (Related); MCULE-5202572014; 2-(Allyloxy)-1,3,5-tribromobenzene #; NCGC00256197-01; Allyl 2,4,6-tribromophenyl ether, 98%; CAS-3278-89-5; Benzene,3,5-tribromo-2-(2-propenyloxy)-; FT-0634756; E79371; J-018877; Q27255479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35767	.	.	.	.	370.86	C9H7Br3O	9.2	162	4.7	13	0	1	3	"InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2"	C=CCOC1=C(C=C(C=C1Br)Br)Br	RZLLIOPGUFOWOD-UHFFFAOYSA-N
DG50661	Phenyl(tribromomethyl)mercury	76801	"Phenyl(tribromomethyl)mercury; 3294-60-8; EINECS 221-963-5; NSC173931; SCHEMBL6968552; Mercury, phenyl(tribromomethyl)-; DTXSID20186592; NSC 173931; NSC-173931; NCI60_001412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173931	.	.	.	.	529.42	C7H5Br3Hg	0	115	.	11	0	0	1	InChI=1S/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;	C1=CC=C(C=C1)[Hg]C(Br)(Br)Br	PLHSKXBFZPAQOD-UHFFFAOYSA-N
DG50662	Bendamustine hydrochloride	77082	"Bendamustine hydrochloride; 3543-75-7; Bendamustine HCl; Treanda; Ribomustin; Cytostasan; Bendamustin hydrochloride; SDX-105; IMET 3393; 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoic acid hydrochloride; Treakisym; SyB L-0501; Bendamustine (hydrochloride); Bendeka; UNII-981Y8SX18M; 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid hydrochloride; SDX 105; 3543-75-7 (HCl); 981Y8SX18M; Ribomustine; Levact; 4-(5-(Bis(2-chloroethyl)amino)-1-methyl-1H-benzo-[d]imidazol-2-yl)butanoic acid hydrochloride; 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride; NSC-138783; 97832-05-8; Treanda (TN); Bendit; CCRIS 1864; NSC 138783; Cytostosan; Innomustine; Symbenda; Benda; ZIMET 33/93; Ribomustin (TN); Bendamustine Hydrochloride Injection; Inno-P08001; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid [German]; SCHEMBL18843; MLS006010156; C16H22Cl3N3O2; SDX-105 (Cytostasane) HCl; CHEMBL1201734; SYBL-0501; DTXSID40188912; BCPP000348; BCP02107; HY-B0077; Tox21_500623; MFCD01658758; MFCD16879055; NSC138783; s1212; AKOS015951203; AC-1619; ACN-040196; BCP9000390; Bendamustine hydrochloride (JAN/USAN); Bendamustine hydrochloride [USAN:JAN]; CCG-221927; CS-1771; EP-3101; LP00623; SB17462; 2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride; gamma(1-Methyl-5-bis(beta-chloraethyl)aminobenzimidazoyl-2)buttersaeurehydrochlorid; NCGC00261308-01; AS-15856; BB164239; BP-25399; R111; SMR004234484; Bendamustine HCL (SDX-105, Cytostasane); 2-Benzimidazolinebutryric acid, hydrochloride; AM20090666; B4033; FT-0650624; FT-0696296; SW219266-1; 2-Benzimidazolebutyric acid, monohydrochloride; D07085; WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH; 543B757; Q27272066; Fmoc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionicacid; 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl monohydrochloride; 5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid hydrochloride; 5-[Bis(2-chloroethyl)amino]-1-methylbenzimidazole-2-butyric Acid Hydrochloride; 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, monohydrochloride (9CI); 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, hydrochloride (1:1); 2-Benzimidazolebutyric acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, monohydrochloride (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138783	.	.	.	.	394.7	C16H22Cl3N3O2	58.4	380	.	24	2	4	9	"InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H"	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl	ZHSKUOZOLHMKEA-UHFFFAOYSA-N
DG50663	"2,4,6-Tris(2-pyridyl)-s-triazine"	77258	"3682-35-7; TPTZ; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-s-triazine; 2,4,6-Tripyridyl-s-triazine; 2,4,6-Tri(2-pyridyl)-s-triazine; 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-; 2,4,6-Tris(2-pyridyl)-1,3,5-triazine; Terpyridyl-s-triazine; TPTZ (iron reagent); Tri-2-pyridyl-s-triazine; s-Triazine, tri-2-pyridyl-; NSC 112125; 2,4,6-tripyridin-2-yl-1,3,5-triazine; 2,4,6-Tri-2-pyridinyl-1,3,5-triazine; UNII-YG57D9P2VY; 2,4,6-Tripyridyl-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-5-triazine; s-Triazine, 2,4,6-tri-2-pyridyl-; MLS000737726; 2,4,6-tri(pyridin-2-yl)-1,3,5-triazine; MFCD00006045; YG57D9P2VY; C18H12N6; 2,4,6-tri-2-pyridyl-1,3,5-triazine; SMR000444410; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine (TPTZ); EINECS 222-965-9; BRN 0282581; AI3-51067; tris(pyridin-2-yl)-1,3,5-triazine; 2,6-Tripyridyl-s-triazine; YSWG226; 5-26-19-00396 (Beilstein Handbook Reference); cid_77258; SCHEMBL322756; 2,4,6-Tripyridyl-sym-triazine; CHEMBL1450775; DTXSID7063132; SCHEMBL17257399; BDBM52829; ZINC39221; 2,6-Tri(2-pyridyl)-s-triazine; s-Triazine,4,6-tri-2-pyridyl-; 2,6-Tripyridyl-1,3,5-triazine; 2,6-Tris(2-pyridyl)-s-triazine; HMS2792B08; 2,6-Tri(2'-pyridyl)-s-triazine; 2,6-Tris(2-pyridyl)-5-triazine; AMY23191; NSC112125; 2,4,6-Tri(2'-pyridyl)-s-triazine; 2,4,6-Tri-(2-pyridyl)-s-triazine; AKOS004910369; 2,4,6-Tris(2-pyridyl)-sym-triazine; MCULE-1759055454; NSC-112125; SB66976; s10117; 2,6-Tris(2-pyridyl)-1,3,5-triazine; NCGC00246952-01; AS-18979; SY012695; 1,5-Triazine, 2,4,6-tri-2-pyridinyl-; 2,4,6-tri-(2-Pyridyl)-1,3,5-triazine; 2,4,6-tris(2-pyridinyl)-1,3,5-triazine; 2,4,6-Tris(2-pyridyl)-s-triazine, 98%; CS-0010133; FT-0609831; T0530; X3676; 2,4,6-Tri(2-pyridinyl)-1,3,5-triazine #; T-7000; T-7001; A855578; 2,4,6-TRI(2-PYRIDYL)-1,3,5-TRIAZINE,; J-610025; Q27294508; 2,4,6-Tri(2-pyridyl)-1,3,5-triazine;2,4,6-Tri(2-pyridyl)-1,3,5-triazine (TPTZ); 2,4,6-Tris(2-pyridyl)-s-triazine, for spectrophotometric det. (of Fe), >=98%; 2,4,6-Tris(2-pyridyl)-s-triazine, for spectrophotometric det. of Fe, >=99.0%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112125	.	.	.	.	312.3	C18H12N6	77.3	323	2.1	24	0	6	3	InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H	C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4	KMVWNDHKTPHDMT-UHFFFAOYSA-N
DG50664	"3,4-Dichlorobenzyltriphenylphosphonium chloride"	77265	"Eulan NK; Eulan NKU; Oilan NKF; 3,4-Dichlorobenzyltriphenylphosphonium chloride; 3687-70-5; Eulan NK, Eulan NKFW; (3,4-Dichlorobenzyl)triphenylphosphonium chloride; UNII-3WM6RS2KA6; 3WM6RS2KA6; (3,4-dichlorophenyl)methyl-triphenylphosphanium chloride; (3,4-dichlorophenyl)methyl-triphenylphosphanium;chloride; NSC 71536; 3,4-Dichlorbenzyl-trifenylfosfoniumchlorid [Czech]; Phosphonium, (3,4-dichlorobenzyl)triphenyl-, chloride; 3,4-Dichlorbenzyl-trifenylfosfoniumchlorid; SCHEMBL7338415; CHEMBL2005194; DTXSID70958069; WLN: GR BG D1PR&R&R &G; NSC-71536; Q27258149; [(3,4-Dichlorophenyl)methyl](triphenyl)phosphanium chloride; Phosphonium, ((3,4-dichlorophenyl)methyl)triphenyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71536	.	.	.	.	457.8	C25H20Cl3P	0	418	.	29	0	1	5	"InChI=1S/C25H20Cl2P.ClH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	LZXHHNKULPHARO-UHFFFAOYSA-M
DG50665	n-Decylaminoethanethiosulfuric acid	77356	"n-Decylaminoethanethiosulfuric acid; WR 1607; 2-(1-Decylamino)ethanethiosulfuric acid; 2-(n-Decylamino)-ethanethiosulfuric acid; 3752-51-0; Thiosulfuric acid, S-[2-(decylamino)ethyl] ester; Ethanethiol, 2-decylamino-, hydrogen sulfate (ester); NSC 320931; BRN 2370356; 2-Decylaminoethanethiol hydrogen sulfate (ester); Ethanethiol, 2-(decylamino)-, hydrogen sulfate (ester); WLN: WSQS2M10; 2-Decylaminoethanethiol sulfate; DTXSID70190962; Thiosulfuric acid (H2S2O3), S-[2-(decylamino)ethyl] ester; NSC320931; ZINC95794877; NSC-320931; 2-(Decylamino)ethanethiol hydrogen sulfate (ester); Thiosulfuric acid, S-(2-(decylamino)ethyl) ester (8CI); Thiosulfuric acid(H2S2O3), S-[2-(decylamino)ethyl] ester; Thiosulfuric acid (H2S2O3), S-(2-(decylamino)ethyl) ester (9CI); Thiosulfuric acid(H2S2O3), S-(2-(decylamino)ethyl) ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320931	.	.	.	.	297.5	C12H27NO3S2	100	263	1.3	18	2	5	13	"InChI=1S/C12H27NO3S2/c1-2-3-4-5-6-7-8-9-10-13-11-12-17-18(14,15)16/h13H,2-12H2,1H3,(H,14,15,16)"	CCCCCCCCCCNCCSS(=O)(=O)O	BWZPDRUAQQXBIL-UHFFFAOYSA-N
DG50666	Arsenobenzene	78277	4519-32-8; Arsenobenzene; Arsenobenzol; Arsenobisbenzene; NSC41373; EINECS 224-845-1; NSC 41373; NSC-41373	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41373	.	.	.	.	304.05	C12H10As2	0	157	.	14	0	0	2	InChI=1S/C12H10As2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)[As]=[As]C2=CC=CC=C2	AWYSLGMLVOSVIS-UHFFFAOYSA-N
DG50667	2-Methyl-4-nitroquinoline 1-oxide	78545	2-Methyl-4-nitroquinoline 1-oxide; 4831-62-3; 2-Methyl-4-nitroquinoline-1-oxide; 2-methyl-4-nitro-1-oxidoquinolin-1-ium; 4-Nitroquinaldine N-oxide; 4-Nitroquinaldine-N-oxide; 4-Nitroquinaldine 1-oxide; 2-Methyl-4-nitroquinoline N-oxide; MLS001049303; 2-Methyl-4-nitro-quinoline 1-oxide; SMR000427678; WLN: T66 BNJ BO C1 ENW; cid_78545; SCHEMBL5157864; CHEMBL1364999; BDBM63785; DTXSID40197488; HMS2785O10; NSC19646; ZINC1868576; 2-methyl-4-nitro-1-quinoliniumolate; NSC-19646; NSC144470; AKOS001712642; NSC-144470; NCGC00246402-01; NCGC00246402-02; 2-methyl-4-nitro-1-oxido-quinolin-1-ium; DS-013447; 2-methyl-4-nitro-1-oxidanidyl-quinolin-1-ium; 2-METHYL-4-NITROQUINOLIN-1-IUM-1-OLATE; AB00653988-08; AB00653988-09; SR-01000147504; SR-01000147504-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144470	.	.	.	.	204.18	C10H8N2O3	71.3	254	1.3	15	0	3	0	"InChI=1S/C10H8N2O3/c1-7-6-10(12(14)15)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3"	CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-]	YRPLTHBJMGSMKH-UHFFFAOYSA-N
DG50668	4-(4-Nitrophenylazo)-1-naphthol	79174	"4-(4-Nitrophenylazo)-1-naphthol; 5290-62-0; Magneson II; Magnezon II; 4-((4-Nitrophenyl)diazenyl)naphthalen-1-ol; 1-Naphthalenol, 4-[(4-nitrophenyl)azo]-; NSC 5048; 1-Naphthol, 4-((p-nitrophenyl)azo)-; 4-((p-Nitrophenyl)azo)-1-naphthol; MFCD00003975; 4-((4-Nitrophenyl)azo)-1-naphthol; 1-Naphthalenol, 4-((4-nitrophenyl)azo)-; MLS002637789; 4-[(4-nitrophenyl)diazenyl]naphthalen-1-ol; 4-(p-Nitrophenylazo)-1-naphthol; (E)-4-((4-nitrophenyl)diazenyl)naphthalen-1-ol; 1-Naphthalenol, 4-(2-(4-nitrophenyl)diazenyl)-; 4-[(p-Nitrophenyl)azo]-1-naphthol; 4-[(4-Nitrophenyl)azo]-1-naphthol; 1-Naphthol, 4-[(p-nitrophenyl)azo]-; p-Nitrphenylazo-alpha-naphthol; 1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-; EINECS 226-129-4; BRN 0961660; 4-((4-Nitrophenyl)azo)-1-naphthalenol; AI3-02917; alpha-Naphthol Magneson; 4-[(4-Nitrophenyl)diazenyl]-1-naphthol; 4-[(E)-(4-nitrophenyl)diazenyl]naphthalen-1-ol; 4-16-00-00224 (Beilstein Handbook Reference); SCHEMBL2374446; CHEMBL1717293; DTXSID7063760; p-Nitrphenylazo-.alpha.-naphthol; (4E)-4-[(4-nitrophenyl)hydrazinylidene]naphthalen-1-one; NSC5048; p-Nitrophenylazo-.alpha.-naphthol; HMS3087A16; NSC-5048; ZINC3861484; 4-Nitrophenylazo-4'-(1-naphthol); STL255982; ZINC12358681; AKOS001482351; AKOS003612897; AKOS028108987; ZINC100007143; ZINC100172097; ZINC100172100; MCULE-8007966120; BS-42453; SMR001547306; DB-052204; FT-0616663; N0134; Z3689; 4-[(E)-(4-Nitrophenyl)diazenyl]-1-naphthol; D91645; A829303; (4E)-4-[(4-nitrophenyl)hydrazinylidene]-1-naphthalenone; 159536-42-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5048	.	.	.	.	293.28	C16H11N3O3	90.8	415	4.4	22	1	5	2	"InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H"	C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]	MDLLSWJQIIAUQU-UHFFFAOYSA-N
DG50669	"4,4'-Methylenebis(2,6-dimethylphenol)"	79345	"4,4'-Methylenebis(2,6-dimethylphenol); 5384-21-4; 4,4'-Methylenedi-2,6-xylenol; 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol; Phenol, 4,4'-methylenebis[2,6-dimethyl-; Bis(4-hydroxy-3,5-dimethylphenyl)methane; Bis(3,5-dimethyl-4-hydroxyphenyl)methane; 4,4'-Dihydroxy-3,3',5,5'-tetramethyldiphenylmethane; Phenol, 4,4'-methylenebis(2,6-dimethyl-; 4,6-xylenol; 2,6-Xylenol, 4,4'-methylenedi-; EINECS 226-378-9; NSC128403; 4,6-xylenol]; 4,6-dimethylphenol); EC 226-378-9; SCHEMBL68876; CHEMBL593206; DTXSID4063820; AZZWZMUXHALBCQ-UHFFFAOYSA-; 4,4'-Methylenebis[2,6-xylenol]; ZINC2516104; MFCD00055640; AKOS015839108; 4,3',5,5'-tetramethyldiphenylmethane; MCULE-8100762857; NSC 128403; NSC-128403; Phenol,4'-methylenebis[2,6-dimethyl-; 4,4\\'-Methylenebis(2,6-dimethylphenol); AS-63207; CS-0207078; M1099; F15423; 2,2',6,6'-Tetramethyl-4,4'-methylenediphenol; 3,5,5'-Tetramethyl-4,4'-dihydroxydiphenylmethane; 4-[(4-hydroxyphenyl)methyl]-2,6-dimethyl-phenol; A829793; AB-131/40897252; 3,3,5,5-Tetramethyl-4,4-dihydroxy-diphenylmethane; W-110030; 3,3',5,5'-Tetramethyl-4,4'-dihydroxydiphenylmethane; 4-(4-hydroxy-3,5-dimethylbenzyl)-2,6-dimethylphenol; Q65643373"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128403	.	.	.	.	256.339	C17H20O2	40.5	239	4.6	19	2	2	2	"InChI=1S/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3"	CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C	AZZWZMUXHALBCQ-UHFFFAOYSA-N
DG50670	Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole	79411	"Vancide 26; 5406-97-3; Vancide 26 EC; Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole; UNII-I79832L455; Lauryl pyridinium salt of 5-chloro-2-mercaptobenzothiazole; I79832L455; Laurylpyridinium 5-chloro-2-mercaptobenzothiazole; N-Laurylpyridinium 5-chlorobenzothiazole-2-thiolate; 1-dodecylpiperidine, 5-chloro-2-thioxo-2,4-dihydrobenzo[d]thiazol-4-ide salt; Caswell No. 522; 1-Dodecylpyridinium 5-chloro-2-benzothiazolyl sulfide; 5-Chloro-2-mercaptobenzothiazole 1-laurylpyridinium salt; DTXSID50896854; NSC5337; 5-chloro-1,3-benzothiazole-2-thiolate; 1-dodecylpyridin-1-ium; NSC 5337; NSC-5337; Pyridinium, 1-dodecyl-, salt with 5-chloro-2(3H)-benzothiazolethione (1:1); EPA Pesticide Chemical Code 051703; Q27280537; 5-Chloro-2-mercaptobenzothiazole, lauryl pyridinium salt; Pyridinium, salt with 5-chloro-2-benzothiazolethiol (1:1); 5-chloro-1,3-benzothiazole-2-thiolate;1-dodecylpyridin-1-ium; Pyridinium, salt with 5-chloro-2(3H)-benzothiazolethione (1:1); Pyridinium, 1-dodecyl-, salt with 5-chloro-2-benzothiazolethiol (1:1) (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5337	.	.	.	.	449.1	C24H33ClN2S2	46	316	.	29	0	3	11	"InChI=1S/C17H30N.C7H4ClNS2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;8-4-1-2-6-5(3-4)9-7(10)11-6/h11,13-14,16-17H,2-10,12,15H2,1H3;1-3H,(H,9,10)/q+1;/p-1"	CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)N=C(S2)[S-]	NPUUGQIQOUWACG-UHFFFAOYSA-M
DG50671	"2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-"	79513	"5442-40-0; N-(3-Chlorophenyl)-3-hydroxynaphthalene-2-carboxamide; 2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-; TCMDC-124171; C.I. Azoic Coupling Component 22; GNF-Pf-2634; C.I. 37511; 2-Naphthanilide, 3'-chloro-3-hydroxy-; NSC 12969; EINECS 226-636-0; NSC 50683; 2-HYDROXY-3-NAPHTHOYL-M-CHLOROANILIDE; Oprea1_159669; Oprea1_571684; CHEMBL528589; SCHEMBL2129113; DTXSID8063888; ZINC247780; 3-Hydroxy-naphthalene-2-carboxylic acid (3-chloro-phenyl)-amide; NSC12969; NSC50683; NSC-12969; NSC-50683; AKOS000592805; CCG-275204; MCULE-2787460267; C.I.37511; N-(3-Chlorophenyl)-3-hydroxy-2-naphthamide; SJ000142233; 2-Naphthanilide, 3'-chloro-3-hydroxy- (8CI); SR-01000400032; SR-01000400032-1; N-(3-chlorophenyl)-3-hydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12969	.	.	.	.	297.7	C17H12ClNO2	49.3	376	4.8	21	2	2	2	"InChI=1S/C17H12ClNO2/c18-13-6-3-7-14(10-13)19-17(21)15-8-11-4-1-2-5-12(11)9-16(15)20/h1-10,20H,(H,19,21)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl)O	CUTAMZZNECWJOY-UHFFFAOYSA-N
DG50672	"1,4-Diacetoxynaphthalene"	79775	"1,4-Diacetoxynaphthalene; 5697-00-7; Naphthalene-1,4-diyl diacetate; (4-acetyloxynaphthalen-1-yl) acetate; 1,4-Naphthalenediol, diacetate; 1,4-Naphthalenediol, 1,4-diacetate; UNII-5ABG24JW5W; 5ABG24JW5W; NSC30652; EINECS 227-172-1; NSC 30652; SCHEMBL4444465; DTXSID40884184; ZINC1661219; NSC-30652; STK398369; 4-(Acetyloxy)-1-naphthyl acetate #; AKOS004907705; MCULE-1262130552; NCGC00341942-01; AB01334845-02; AB01334845-03"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30652	.	.	.	.	244.24	C14H12O4	52.6	294	2.5	18	0	4	4	"InChI=1S/C14H12O4/c1-9(15)17-13-7-8-14(18-10(2)16)12-6-4-3-5-11(12)13/h3-8H,1-2H3"	CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C	SFAVMNCWIUOBCX-UHFFFAOYSA-N
DG50673	"1,2-Ethylenediphosphonic acid"	80247	"1,2-Ethylenediphosphonic acid; 6145-31-9; 2-phosphonoethylphosphonic acid; 1,2-Ethanediphosphonic acid; Phosphonic acid, ethylenedi-; 1,2-Ethanebisphosphonic acid; Phosphonic acid, 1,2-ethanediylbis-; Ethane-1,2-diyldiphosphonic acid; Ethylenediphosphonic acid; NSC40837; NSC-40837; 1,2-Ethanediylbisphosphonic acid; BRN 1780250; AI3-17466; Ethylenebisphosphonic acid; ethylene diphosphonic acid; Phosphonic acid, ethylenedi- (6CI,7CI,8CI); NCIStruc1_000127; NCIStruc2_000009; SCHEMBL81370; 3-04-00-01788 (Beilstein Handbook Reference); Ethane-1,2-diphosphonic acid; CHEMBL1566305; Phosphonic acid,2-ethanediylbis-; DTXSID70210391; NCI40837; ZINC3953973; BBL103802; CCG-36564; ethane-1,2-diylbis(phosphonic acid); MFCD00013958; NCGC00013477; NSC 40837; STL557612; AKOS017345014; NCGC00013477-02; NCGC00096592-01; NCI60_003914; DB-053895; E1265; FT-0606460; Phosphonic acid, P,P'-(1,2-ethanediyl)bis-; T72710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40837	.	.	.	.	190.03	C2H8O6P2	115	164	-3.4	10	4	6	3	"InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)"	C(CP(=O)(O)O)P(=O)(O)O	XYJLPCAKKYOLGU-UHFFFAOYSA-N
DG50674	"2,5-Bis(chloromethyl)-p-xylene"	80530	"2,5-Bis(chloromethyl)-p-xylene; 6298-72-2; 1,4-Bis(chloromethyl)-2,5-dimethylbenzene; Benzene, 1,4-bis(chloromethyl)-2,5-dimethyl-; 2,5-Di(Chloromethyl)-p-xylene; 2,5-bis-(Chloromethyl)-p-xylene; .alpha.(1),.alpha.(4)-Dichlorodurene; alpha(1),alpha(4)-Dichlorodurene; EINECS 228-575-5; NSC 41890; NSC41890; YSZC366; SCHEMBL442987; 2,5-Bis(chloromethyl-p-xylene; DTXSID4064210; ZINC1673618; MFCD00013682; NSC-41890; AKOS003614502; MCULE-4272514420; 2,5dimethyl 1,4bis-chloromethyl benzene; BS-52037; 2,5 dimethyl 1,4 bis-chloromethyl benzene; Benzene,4-bis(chloromethyl)-2,5-dimethyl-; DB-054359; FT-0610256; E70422"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41890	.	.	.	.	203.1	C10H12Cl2	0	120	3.4	12	0	0	2	"InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3"	CC1=CC(=C(C=C1CCl)C)CCl	UYRPOMMBPQHVMN-UHFFFAOYSA-N
DG50675	"1,2-Dichloro-4,5-dinitrobenzene"	80565	"1,2-Dichloro-4,5-dinitrobenzene; 6306-39-4; Benzene, 1,2-dichloro-4,5-dinitro-; 4,5-Dichloro-1,2-dinitrobenzene; Parazol; 1,2-DICHLORO-4,5-DINITRO-BENZENE; UNII-E5112AA0T0; E5112AA0T0; MFCD00010865; NSC 22945; BRN 2460868; AI3-19504; 4,2-dinitrobenzene; 1,2diCl4,5diNO2Ph; WLN: WNR CG DG FNW; SCHEMBL3240210; CHEMBL1977118; 1,2-Dichlor-4,5-dinitrobenzol; DTXSID80212386; Benzene,2-dichloro-4,5-dinitro-; ALBB-035540; NSC22945; ZINC4429662; CL8909; NSC-22945; AKOS015916587; AKOS015960452; Butyl4,4-bis(tert-butyldioxy)valerate; MCULE-7580686119; 1,2-Dichloro-4,5-dinitrobenzene, 98%; AC-11248; AS-46136; BP-10079; DB-049832; FT-0636088; 306D394; Q27276874"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22945	.	.	.	.	236.99	C6H2Cl2N2O4	91.6	225	2.7	14	0	4	0	InChI=1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H	C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]	IGSAVPVCQHAPSM-UHFFFAOYSA-N
DG50676	C.I. Vat Green 9	80733	"C.I. Vat Green 9; NSC51535; NSC-51535; 9,24-dinitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione; Endurol Black 2B; Caledon Black CNB; Calcoloid Black BB; Cibanone Black 2B; Atic Vat Black NB; Cibanone Black 2BN; Calcoloid Black BBD; Calcoloid Black BNS; Fenanthren Black 2B; Indanthrene Black BB; Belanthrene Black 2B; Amanthrene Supra Black BBN; Navinon Black BB; Paradone Black AB; EINECS 228-873-5; Nyanthrene Black 2B; Hydroform Black G2B; Nihonthrene Black BB; Palanthrene Black BB; Mikethrene Black BBN; Mikethrene Black BBS; Romantrene Black FBB; Solanthrene Black 3BA; Paradone Black AB New; C.I. 59850; Violanthrone,12-dinitro-; NCIStruc1_000451; NCIStruc2_001082; Violanthrone, 3,12-dintro-; CHEMBL137267; SCHEMBL9174818; DTXSID9064269; NCI51535; ZINC3954047; CCG-37504; NCGC00013641; AKOS024427716; MCULE-5617248956; NCGC00013641-02; NCGC00096753-01; NCI60_004250; Dinaphtho[1,3-cd:3',2',1'-lm]perylene-5,10-dione, 3,12-dinitro-; 3,12-bis(hydroxy(oxido)amino)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione; 107927-52-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51535	.	.	.	.	546.5	C34H14N2O6	126	1120	7.7	42	0	6	0	InChI=1S/C34H14N2O6/c37-33-25-11-9-23-24-10-12-26-32-20(18-4-2-16(36(41)42)14-28(18)34(26)38)6-8-22(30(24)32)21-7-5-19(31(25)29(21)23)17-3-1-15(35(39)40)13-27(17)33/h1-14H	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)[N+](=O)[O-]	KDVDMQVITMTCAH-UHFFFAOYSA-N
DG50677	3-Hydroxy-4-(phenylazo)-2-naphthoic acid	80753	"3-Hydroxy-4-(phenylazo)-2-naphthoic acid; 27757-79-5; C.I. Pigment Red 64; 3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxylic acid; Pigment Red 64; EINECS 248-638-0; NSC 11713; SCHEMBL343951; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(phenylazo)-; CHEMBL1976469; DTXSID8091538; SCHEMBL21436312; 2-Naphthalenecarboxylicacid, 3-hydroxy-4-(2-phenyldiazenyl)-; C.I. Pigment Red 64 (8CI); NSC11713; ZINC4417026; NSC-11713; 3-Hydroxy-4-phenylazo-2-naphthoic acid; 4-phenylazo-3-hydroxy-2-naphthoic acid; NCI60_000394; DS-001160; R-219; 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(phenylazo)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11713	.	.	.	.	292.29	C17H12N2O3	82.2	420	4.7	22	2	5	3	"InChI=1S/C17H12N2O3/c20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12/h1-10,20H,(H,21,22)"	C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O	DYMRMULFWJUGDJ-UHFFFAOYSA-N
DG50678	"5,7-Dichloroisatin"	80771	"5,7-Dichloroisatin; 6374-92-1; 5,7-Dichloro-1H-indole-2,3-dione; 5,7-Dichloroindoline-2,3-dione; 1H-Indole-2,3-dione, 5,7-dichloro-; NSC26045; MFCD00043905; MLS002639083; 5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione; EINECS 228-928-3; Indole-2,3-dione, 5,7-dichloro-; Isatin,7-dichloro-; Isatin, 5,7-dichloro-; NCIMech_000038; Cambridge id 5228213; Isatin-based compound, 53; CBDivE_012174; Indole-2, 5,7-dichloro-; cid_80771; SCHEMBL136094; CHEMBL374740; 5,7-Dichloroindole-2,3-dione; 5,7-Dichloroisatin, >=95%; BDBM22833; 1H-Indole-2, 5,7-dichloro-; 5,7-dichloro-2,3-indolinedione; DTXSID30213181; HMS3080K03; ZINC1628160; 9753AB; BBL013172; CCG-35535; NSC 26045; NSC-26045; STK982180; AKOS000267190; AC-3347; MCULE-5571176156; SB64335; 5,7-Dichloro-1H-indole-2,3-dione #; AS-37622; NCI60_002080; SMR001334866; SY004423; DB-031794; A8769; AM20080810; FT-0619841; AB00075936-01; 374D921; SR-01000398630; Q-102086; SR-01000398630-1; Z56886395; F0020-1972"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26045	.	.	.	.	216.02	C8H3Cl2NO2	46.2	269	2	13	1	2	0	"InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)"	C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl	AYGGQJHJRFZDFH-UHFFFAOYSA-N
DG50679	2-Chloronicotinonitrile	81079	"2-Chloronicotinonitrile; 2-Chloro-3-cyanopyridine; 6602-54-6; 2-Chloropyridine-3-carbonitrile; 2-Chloro-3-pyridinecarbonitrile; 3-Pyridinecarbonitrile, 2-chloro-; MFCD00014628; 2-chloro-nicotinonitrile; 3-Cyano-2-chloropyridine; 2-Chloro-3-cyano-pyridine; 2-Chloro-3-cyanopyridine (2-Chloronicotinonitrile); NSC73287; EINECS 229-550-1; 2-chloronicotinitrile; 2chloronicotinonitrile; 2-chloronicotinnitrile; 2-Chloronicotinoitrile; 2-chloro-nictinonitrile; 2-chloro nicotinonitrile; 2-chloro-3-cyano pyridine; 3-cyano-2-chloro-pyridine; 2-chloro-3-pyridyl cyanide; NCIOpen2_000476; SCHEMBL119023; CHEMBL1969978; JAUPUQRPBNDMDT-UHFFFAOYSA-; ZINC91827; 2-chloro-3-pyridine-carbonitrile; 2-chloro-pyridine-3-carbonitrile; DTXSID00216240; HMS1627B05; ACT06958; ALBB-006319; BCP03202; CS-D1109; LT0058; NSC 73287; NSC-73287; STK503832; AKOS000121267; 2-Chloro-3-pyridinecarbonitrile, 98%; AB01170; AC-4665; FG-0467; MCULE-9664275879; BP-12328; NCI60_041599; DB-016001; A8927; AM20061422; C1369; FT-0611721; FT-0658123; 02C546; P16535; Q-103367; F0001-1761; 2-Chloropyridine-3-carbonitrile (2-Chloronicotinonitrile); 2-Chloro-3-cyanopyridine;2-Chloropyridine-3-carbonitrile;2-Chloro-3-pyridinecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73287	.	.	.	.	138.55	C6H3ClN2	36.7	137	1.5	9	0	2	0	InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H	C1=CC(=C(N=C1)Cl)C#N	JAUPUQRPBNDMDT-UHFFFAOYSA-N
DG50680	5-(benzyloxy)-1H-indole-2-carboxylic acid	81146	"5-(benzyloxy)-1H-indole-2-carboxylic acid; 6640-09-1; 5-Benzyloxyindole-2-carboxylic acid; 5-Benzyloxy-1H-indole-2-carboxylic acid; 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-; 5-phenylmethoxy-1H-indole-2-carboxylic acid; UNII-QC9YQ3S9RU; QC9YQ3S9RU; CHEMBL24850; MLS000737620; 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid; SMR000024621; NSC49096; Maybridge1_005333; Oprea1_472789; Oprea1_872085; MLS000090003; SCHEMBL630515; HMS556K09; ZINC66629; DTXSID20216621; HMS2477M20; 5-benzyloxy-2-indolecarboxylic acid; ACT02526; ALBB-034275; AMY31778; NSC30930; EINECS 229-652-6; BDBM50057498; MFCD00047165; NSC 30930; NSC 49096; NSC-30930; NSC-49096; STK662483; 5-benzyloxy-2-indole carboxylic acid; AKOS001656722; CCG-249958; MCULE-9799998143; 5-benzyloxy-1hindole-2-carboxylic acid; 5-benzyloxyl-1h-indole-2-carboxylic acid; NCI60_004179; TS-00869; DB-012421; FT-0620042; FT-0636221; W7739; B-1950; 640B091; 5-(benzyloxy)-1H-indole-2-carboxylic acid;5-BENZYLOXY-1H-INDOLE-2-CARBOXYLIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30930	.	.	.	.	267.28	C16H13NO3	62.3	341	3.8	20	2	3	4	"InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3)C(=O)O	MVCLSAMNMAWXFQ-UHFFFAOYSA-N
DG50681	"5-Chloro-1,3,3-trimethyl-2-methyleneindoline"	81308	"6872-17-9; 5-Chloro-1,3,3-trimethyl-2-methyleneindoline; 5-Chloro-2-methylene-1,3,3-trimethylindoline; 5-chloro-1,3,3-trimethyl-2-methylideneindole; 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-; 5-Chloro-2-methylene-1.3.3-trimethylindoline; EINECS 229-972-6; 4-Chloro-2,3,3-trimethylindolenine; NSC158263; 5-chloro-1,3,3-trimethyl-2-methylene-indoline; Indoline, 5-chloro-1,3,3-trimethyl-2-methylene-; SCHEMBL3809912; DTXSID40218844; ZINC119647; c1177; MFCD00005814; AKOS001358631; MCULE-9596813958; NSC 158263; NSC-158263; AC-19073; AS-66138; I669; DB-055182; FT-0606489; 1,3,3-Trimethyl-2-methylene-5-chloroindoline; D84166; 5-Chloro-1,3,3-trimethyl-2-methyleneindoline #; 872C179; A836227; 5-chloro-1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole; 5-Chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indole; 5-Chloro-2-methylene-1,3,3-trimethylindoline, technical grade, 95%; 5-Hydrazinyl-2-[2-(4-hydrazinyl-2-sulfophenyl)ethenyl]benzenesulfonicacid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158263	.	.	.	.	207.7	C12H14ClN	3.2	259	4	14	0	1	0	"InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3"	CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C	VDMXGJJMPKAYQP-UHFFFAOYSA-N
DG50682	5-Phenoxysulfonyl-1-methyl-4-nitroimidazole	81400	"6954-35-4; 5-Phenoxysulfonyl-1-methyl-4-nitroimidazole; MLS002608074; phenyl 3-methyl-5-nitroimidazole-4-sulfonate; NSC-38087; SMR001526825; NSC38087; NSC 38087; cid_81400; SCHEMBL5315656; CHEMBL1897229; BDBM95457; DTXSID20219798; HMS3078L20; ZINC1670441; phenyl 3-methyl-5-nitro-imidazole-4-sulfonate; 3-methyl-5-nitro-4-imidazolesulfonic acid phenyl ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid phenyl ester; 3-methyl-5-nitro-3H-imidazole-4-sulfonic acid phenyl ester; 1H-Imidazole-5-sulfonic acid, 1-methyl-4-nitro-, phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38087	.	.	.	.	283.26	C10H9N3O5S	115	423	1.8	19	0	6	3	"InChI=1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]	UFAZASYMNCMYTC-UHFFFAOYSA-N
DG50683	"8-Quinolinol, 5-benzyl-"	81403	"8-Quinolinol, 5-benzyl-; 8-Quinolinol, 5-(phenylmethyl)-; 6954-93-4; MLS002639440; WLN: T66 BNJ G1R& JQ; 5-Benzyl-8-quinolinol; NSC 32190; NSC 72781; BRN 0180103; 4-21-00-01648 (Beilstein Handbook Reference); 5-(Phenylmethyl)-8-quinolinol; 5-(Phenylmethyl)quinolin-8-ol; SCHEMBL1520610; CHEMBL1731606; DTXSID90219806; HMS3091A23; NSC32190; NSC72781; ZINC1664763; NSC-32190; NSC-72781; SMR001548884; 8-Quinolinol, 5-(phenylmethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32190	.	.	.	.	235.28	C16H13NO	33.1	262	3.9	18	1	2	2	"InChI=1S/C16H13NO/c18-15-9-8-13(11-12-5-2-1-3-6-12)14-7-4-10-17-16(14)15/h1-10,18H,11H2"	C1=CC=C(C=C1)CC2=C3C=CC=NC3=C(C=C2)O	XMMNJZRNOIZBDA-UHFFFAOYSA-N
DG50684	"4-(2-Pyridylazo)-N,N-dimethylaniline"	81528	"13103-75-8; 4-(2-Pyridylazo)-N,N-dimethylaniline; PADA; Pyridine-2-azo-p-dimethylaniline; N,N-Dimethyl-4-(2-pyridylazo)aniline; N,N-dimethyl-4-(pyridin-2-yldiazenyl)aniline; Pyridine-2-azodimethylaniline; p-(2-Pyridylazo)dimethylaniline; 2-(p-N,N-Dimethylaminophenylazo)pyridine; NSC 9358; MLS000737906; CHEMBL1984524; Pyridine, 2-[[p-(dimethylamino)phenyl]azo]-; 2-((p-(dimethylamino)phenyl)azo)pyridine; 2-[[p-(dimethylamino)phenyl]azo]pyridine; Pyridine, ((p-(dimethylamino)phenyl)azo)-; Pyridine, [[p-(dimethylamino)phenyl]azo]-; EINECS 236-026-6; Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)-; SCHEMBL407009; SCHEMBL1131920; NSC9358; NSC-9358; BDBM50109534; MFCD00010435; ZINC13110587; AKOS015913917; ZINC100024653; ZINC254489727; MCULE-3956955466; 2H-PYRAN-2-ONE-6-CARBOXYLICACID; BC000901; NCI60_042087; SMR000528083; DB-041998; Benzenamine,N-dimethyl-4-(2-pyridinylazo)-; FT-0616556; P0617; N,N-Dimethyl-4-(2-pyridylazo)aniline, 98%; N,N-Dimethyl-4-[(2-pyridyl)diazenyl]aniline; N,N-Dimethyl-4-(2-pyridinyldiazenyl)aniline #; T71702; N,N-Dimethyl-4-[(E)-2-pyridinyldiazenyl]aniline; (E)-N,N-dimethyl-4-(pyridin-2-yldiazenyl)aniline; Pyridine, 2-((p-(dimethylamino)phenyl)azo)- (8CI); Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9358	.	.	.	.	226.28	C13H14N4	40.8	244	3.1	17	0	4	3	"InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=N2	IOJNPSPGHUEJAQ-UHFFFAOYSA-N
DG50685	Benzyl dimethyldithiocarbamate	81664	"7250-18-2; Benzyl dimethyldithiocarbamate; Benzyl-N,N-dimethyldithiocarbamate; benzyl N,N-dimethylcarbamodithioate; UNII-24J8NV9CQQ; 24J8NV9CQQ; BENZYL N,N-DIMETHYLDITHIOCARBAMATE; benzyl dimethylcarbamodithioate; NSC24913; EINECS 230-659-1; SCHEMBL1158069; CHEMBL1970672; DTXSID80222809; ZINC389784; NSC 24913; NSC-24913; AKOS015889537; Dimethyldithiocarbamic acid benzyl ester; MCULE-3163364738; Benzyl-N,N-dimethyldithiocarbamate, 98%; N,N-dimethyl(benzylsulfanyl)carbothioamide; NCI60_001988; DB-055641; FT-0636404; 5-amino-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24913	.	.	.	.	211.4	C10H13NS2	60.6	162	2.8	13	0	2	3	"InChI=1S/C10H13NS2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3"	CN(C)C(=S)SCC1=CC=CC=C1	HLZBIKHKXIJIHX-UHFFFAOYSA-N
DG50686	"Propanedioic acid, [(2,5-dimethoxyphenyl)methylene]-, diethyl ester"	81758	"7324-87-0; Diethyl 2,5-dimethoxybenzylidene-malonate; Propanedioic acid, [(2,5-dimethoxyphenyl)methylene]-, diethyl ester; NSC643026; Propanedioic acid, ((2,5-dimethoxyphenyl)methylene)-, diethyl ester; Propanedioic acid, 2-((2,5-dimethoxyphenyl)methylene)-, 1,3-diethyl ester; Diethyl (2,5-dimethoxybenzylidene)malonate; diethyl(2,5-dimethoxybenzylidene)malonate; Propanedioic acid, 2-[(2,5-dimethoxyphenyl)methylene]-, 1,3-diethyl ester; EINECS 230-799-3; CHEMBL1997666; DTXSID0064626; SCHEMBL11405158; ZINC1628698; NSC-643026; NCI60_014575; Diethyl 2-(2,5-dimethoxybenzylidene)malonate; (2,5-Dimethoxybenzylidene)malonic acid diethyl ester; diethyl 2-[(2,5-dimethoxyphenyl)methylene]propanedioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643026	.	.	.	.	308.33	C16H20O6	71.1	383	3.3	22	0	6	9	"InChI=1S/C16H20O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-10H,5-6H2,1-4H3"	CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC	SDKURJSMAYMSOF-UHFFFAOYSA-N
DG50687	"Acetic acid, [(aminoiminomethyl)thio]-"	81899	"7404-50-4; Acetic acid, [(aminoiminomethyl)thio]-; 2-carbamimidoylsulfanylacetic acid; (Amidinothio)acetic acid; 2-(carbamimidoylthio)acetic acid; Acetic acid,2-[(aminoiminomethyl)thio]-; S-(Carboxymethyl)isothiourea; (carbamimidoylsulfanyl)acetic acid; Acetic acid, (amidinothio)-; NSC403734; ((Aminoiminomethyl)thio)acetic acid; 2-(carbamimidoylsulfanyl)acetic acid; NSC-403734; Acetic acid, ((aminoiminomethyl)thio)-; Acetic acid, 2-((aminoiminomethyl)thio)-; ((amino(imino)methyl)thio)acetic acid; [[Amino(imino)methyl]thio]acetic acid; Acetic acid, 2-[(aminoiminomethyl)thio]-; Carbamimidoylsulfanylacetic acid; EINECS 231-010-5; NSC 403734; NCIStruc1_001660; NCIStruc2_000102; SCHEMBL4279640; CHEMBL1191027; DTXSID10864054; ALBB-009286; BBL013310; CCG-36582; MFCD00778281; NCGC00014898; NCI403734; STK505805; ZINC19940006; AKOS005171967; MCULE-3427937751; NCGC00014898-02; NCGC00097999-01; NCI60_003809; VS-03744; FT-0690490; W-104436; acetic acid, [(aminoiminomethyl)thio]-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403734	.	.	.	.	134.16	C3H6N2O2S	113	114	-0.2	8	3	4	3	"InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)"	C(C(=O)O)SC(=N)N	BWUNQEXPLIAUOU-UHFFFAOYSA-N
DG50688	"2,6-Dichlorobenzyl thiocyanate"	82034	"2,6-Dichlorobenzyl thiocyanate; 7534-64-7; (2,6-dichlorophenyl)methyl thiocyanate; 1,3-dichloro-2-(thiocyanatomethyl)benzene; UNII-4E4RV03XX5; 4E4RV03XX5; 2,6-DICHLOROBENZYLTHIOCYANATE; EINECS 231-401-0; NSC118097; DTXSID10226299; ZINC1707757; 9229AE; MFCD00019766; AKOS015850136; MCULE-4104876088; NSC 118097; NSC-118097; DB-020174; FT-0610606"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118097	.	.	.	.	218.1	C8H5Cl2NS	49.1	179	3.7	12	0	2	2	"InChI=1S/C8H5Cl2NS/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2"	C1=CC(=C(C(=C1)Cl)CSC#N)Cl	IBWINXSTXHFYMY-UHFFFAOYSA-N
DG50689	4'-Iodo-3-nitrosalicylanilide	82692	"4'-Iodo-3-nitrosalicylanilide; USAF BV-11; 10515-48-7; Salicylanilide, 4'-iodo-3-nitro-; Benzamide, 2-hydroxy-N-(4-iodophenyl)-3-nitro-; 2-hydroxy-N-(4-iodophenyl)-3-nitrobenzamide; BRN 2754304; AI3-51383; NSC27102; WLN: WNR BQ CVMR DI; 4-12-00-01551 (Beilstein Handbook Reference); SCHEMBL7164292; DTXSID9074436; NSC 27102; NSC-27102; DS-000895; Benzamide,2-hydroxy-N-(4-iodophenyl)-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27102	.	.	.	.	384.13	C13H9IN2O4	95.2	366	3.4	20	2	4	2	"InChI=1S/C13H9IN2O4/c14-8-4-6-9(7-5-8)15-13(18)10-2-1-3-11(12(10)17)16(19)20/h1-7,17H,(H,15,18)"	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)I	TXGONIKXFWSNOU-UHFFFAOYSA-N
DG50690	"2,3-Dibromo-1,4-naphthoquinone"	83259	"2,3-Dibromo-1,4-naphthoquinone; 13243-65-7; 2,3-dibromonaphthalene-1,4-dione; 2,3-dibromonaphthoquinone; NSC618332; 2,3-dibromo-1,4-dihydronaphthalene-1,4-dione; 1,4-Naphthalenedione, 2,3-dibromo-; EINECS 236-223-7; NSC106320; NSC 106320; 1, 2,3-dibromo-; NCIMech_000534; SCHEMBL1240837; 2,3-Dibrom-1,4-naphthochinon; CHEMBL1989145; DTXSID20157580; ZINC265648; CCG-35639; STL323127; AKOS015912948; MCULE-2029335013; NSC-106320; NSC-618332; 2,3-Dibromo-1,4-naphthoquinone 97%; 2,3-Dibromo-1,4-naphthoquinone, 97%; AS-62043; NCI60_000148; NCI60_005561; DB-042113; 1,4-Naphthoquinone, 2,3-dibromo- (8CI); CS-0132862; FT-0636853; 1,4-Naphthalenedione, 2,3-dibromo- (9CI); 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N; 10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N.1; doi:10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N; doi:10.14272/PSMABVOYZJWFBV-UHFFFAOYSA-N.1; J-006177; F0433-0200"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618332	.	.	.	.	315.94	C10H4Br2O2	34.1	301	2.8	14	0	2	0	InChI=1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)Br	PSMABVOYZJWFBV-UHFFFAOYSA-N
DG50691	Daunomycin 3-oxime hydrochloride	83851	"Daunomycin 3-oxime hydrochloride; NSC143491; MLS002702944; 34610-60-1; Neuro_000077; cid_83851; CHEMBL1700644; BDBM200226; 3,5,12-Trihydroxy-3-(N-hydroxyethanimidoyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxyhexopyranoside; SMR001566759"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143491	.	.	.	.	542.5	C27H30N2O10	201	994	2.6	39	6	12	4	"InChI=1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NO)C)O)N)O	HUDHPOXZMUHYAB-UHFFFAOYSA-N
DG50693	Desacetylcolchicine d-tartrate	84053	"Desacetylcolchicine d-tartrate; SKF 250; 49720-72-1; NSC-36354; Colchicine, deacetyl-, L-tartrate; NCI 1136; NSC36354; UNII-V6VJ713WZL; V6VJ713WZL; Desacetylcolchicine tartrate (NSC-36354); (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one;(2R,3R)-2,3-dihydroxybutanedioic acid; TMCA methyl ester d-tartrate, hydrate; Trimethylcolchicinic acid, methyl ether, L-tartrate; Colchicine, L-tartrate; Colchicinic acid, trimethyl-methyl ether, d-tartrate, hydrate; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, tartrate (1:1); Desacetylcolchicine L-tartrate; DTXSID50197994; Colchicinic acid, O,O',O'',O'''-tetramethyl-, tartrate (6CI); Trimethylcolchicinic acid, L-tartrate; (7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one; (2R,3R)-2,3-dihydroxybutanedioic acid; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); NCI60_003329; COLCHICINE,L-TARTRATE(1:1), HYDRATE; (7S)-7-Amino-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one, [2,3-dihydroxybutanedioate-, (2R,3R)-] (1:1); Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); Benzo[a]heptalen-9(5H)-one,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36354	.	.	.	.	507.5	C24H29NO11	195	772	.	36	5	12	7	"InChI=1S/C20H23NO5.C4H6O6/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12;5-1(3(7)8)2(6)4(9)10/h6,8-10,14H,5,7,21H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-;1-,2-/m01/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	JLRWNBXMQCGSEJ-APBURCQWSA-N
DG50694	"Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-"	84072	"76129-15-2; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-; MLS003115870; NSC 309697; BRN 3185612; Colchicine, 10-(benzylamino)-10-demethoxy-; NSC309697; 10-Benzylamino-10-demethoxycolchicine; CHEMBL85812; DTXSID00997481; ZINC5640760; STL546543; AKOS030499560; MCULE-4769180262; NSC-309697; 10-(Benzylamino)-10-demethoxycolchicine; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-[(phenylmethyl)amino]benzo[a]heptalen-7-yl]-, (S)-; N-[(7S)-10-(benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; N-[10-(Benzylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309697	.	.	.	.	474.5	C28H30N2O5	85.9	873	3.6	35	2	6	7	"InChI=1S/C28H30N2O5/c1-17(31)30-22-12-10-19-14-25(33-2)27(34-3)28(35-4)26(19)20-11-13-23(24(32)15-21(20)22)29-16-18-8-6-5-7-9-18/h5-9,11,13-15,22H,10,12,16H2,1-4H3,(H,29,32)(H,30,31)/t22-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC	PDIUZPBNLUNFFJ-QFIPXVFZSA-N
DG50695	"N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine"	84075	"N-(3,4,5-Trimethoxybenzoyl)deacetylcolchicine; 86436-39-7; NSC355256; Colchicine, N-deacetyl-N-(3,4,5-trimethoxybenzoyl)-; Benzamide, N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-3,4,5-trimethoxy-, (S)-; NSC 355256; BRN 5682606; CHEMBL287634; DTXSID70235549; Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; 3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide; N-(3,4,5-Trimethoxybenzoyl)-N-deacetylcolchicine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355256	.	.	.	.	551.6	C30H33NO9	111	993	2.6	40	1	9	9	"InChI=1S/C30H33NO9/c1-34-22-11-9-18-19(15-21(22)32)20(10-8-16-12-25(37-4)28(39-6)29(40-7)26(16)18)31-30(33)17-13-23(35-2)27(38-5)24(14-17)36-3/h9,11-15,20H,8,10H2,1-7H3,(H,31,33)/t20-/m0/s1"	COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC	YWIKVBNQUVBQEN-FQEVSTJZSA-N
DG50696	N-(Ethoxyacetyl)deacetylthiocolchicine	84078	"N-(Ethoxyacetyl)deacetylthiocolchicine; 97043-02-2; Colchicine, 17-ethoxy-10-thio-; NSC372485; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)-; MLS002702892; BRN 5655148; CHEMBL277703; DTXSID60242681; ZINC5567633; 17-ETHOXY-10-THIOCOLCHICINE; NSC-372485; NCI60_003463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372485	.	.	.	.	459.6	C24H29NO6S	108	791	2	32	1	7	8	"InChI=1S/C24H29NO6S/c1-6-31-13-21(27)25-17-9-7-14-11-19(28-2)23(29-3)24(30-4)22(14)15-8-10-20(32-5)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)/t17-/m0/s1"	CCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	FQTHLSCRBAIBIC-KRWDZBQOSA-N
DG50697	Methyl 2-phenylsulfinylacetate	84191	"14090-83-6; Methyl 2-phenylsulfinylacetate; methyl 2-(benzenesulfinyl)acetate; methyl (phenylsulfinyl)acetate; methyl 2-(phenylsulfinyl)acetate; GNF-Pf-1921; NSC620050; Methyl (phenylsulphinyl)acetate; EINECS 237-936-6; Maybridge1_000019; Acetic acid, (phenylsulfinyl)-, methyl ester; Acetic acid,2-(phenylsulfinyl)-, methyl ester; NCIMech_000187; MixCom1_000019; methyl-(phenylsulfinyl)acetate; Methyl (benzenesulfinyl)acetate; CHEMBL601542; SCHEMBL1713129; dl-Methyl(phenylsulfonyl)acetate; DTXSID00930939; methyl 2-(phenylsulphinyl)acetate; Methyl 2-phenylsulfinylacetate, 98%; MFCD00002087; AKOS009158978; NSC-620050; NCI60_005928; FT-0628394; J-007430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620050	.	.	.	.	198.24	C9H10O3S	62.6	197	1.1	13	0	4	4	"InChI=1S/C9H10O3S/c1-12-9(10)7-13(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3"	COC(=O)CS(=O)C1=CC=CC=C1	JPPXZUDQIXZLIL-UHFFFAOYSA-N
DG50698	Ethyl Green cation	84672	"Ethyl Green cation; UNII-6W089995NT; CHEBI:88289; 6W089995NT; NSC3091; 22244-13-9; ethyl green(1+); CHEMBL2009112; SCHEMBL12671027; ZINC3861438; Benzenaminium, 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N-ethyl-N,N-dimethyl-; NCI60_002649; Q27160165; Bis[4-(dimethylamino)phenyl][4-(ethyldimethylaminio)phenyl]methylcation; [4-([4-(dimethylamino)phenyl]{4-[ethyl(dimethyl)azaniumyl]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](dimethyl)ammonium; [4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethyl-ammonium; 4-((4-(Dimethyl-.lambda.~5~-azanylidene)-2,5-cyclohexadien-1-ylidene)(4-(ethyl(dimethyl)-.lambda.~5~-azanyl)phenyl)methyl)-N,N-dimethylaniline; Ammonium, [.alpha.-[p-(dimethylamino)phenyl]-.alpha.-[4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]-p-tolyl]ethyldimethyl-, bromide, chloride; N,N-Dimethyl-4-[alpha-[4-(dimethylamino)phenyl]-4-(ethyldimethylaminio)benzylidene]-2,5-cyclohexadiene-1-ylideneiminium; N-(4-((4-(Dimethyl-.lambda.~5~-azanylidene)-2,5-cyclohexadien-1-ylidene)(4-(ethyl(dimethyl)-.lambda.~5~-azanyl)phenyl)methyl)phenyl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3091	.	.	.	.	401.6	C27H35N3+2	6.2	645	5.1	30	0	1	5	"InChI=1S/C27H35N3/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5/h9-20H,8H2,1-7H3/q+2"	CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C	ZRJYQNPSWSGCMS-UHFFFAOYSA-N
DG50699	Sulfonaphtholazoresorcinol	85517	"Sulfonaphtholazoresorcinol; 16623-47-5; MLS002694782; 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonic acid; CHEMBL363296; 1-Naphthalenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxy-; SMR001560701; 1-Naphthalenesulfonic acid, 4-((2,4-dihydroxyphenyl)azo)-3-hydroxy-; 1-Naphthalenesulfonic acid, 4-(2-(2,4-dihydroxyphenyl)diazenyl)-3-hydroxy-; 4-[(2,4-dihydroxyphenyl)diazenyl]-3-hydroxynaphthalene-1-sulfonic acid; 4-((2,4-Dihydroxyphenyl)azo)-3-hydroxynaphthalene-1-sulphonic acid; 1-Naphthalenesulfonic acid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-; EINECS 240-672-4; NSC 87862; NCIOpen2_009600; CHEMBL1735454; DTXSID4066092; SCHEMBL10874811; SCHEMBL16853116; cid_5483802; BDBM115151; HMS3079K13; NSC87862; ZINC4900892; BDBM50154621; NSC-87862; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid; NCI60_041941; 1-Naphthalenesulfonic acid,4-dihydroxyphenyl)azo]-3-hydroxy-; 4-((E)-2,4-Dihydroxy-phenylazo)-3-hydroxy-naphthalene-1-sulfonic acid; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid; (4Z)-4-[(2,4-dihydroxyphenyl)hydrazono]-3-keto-naphthalene-1-sulfonic acid; (4Z)-4-[[2,4-bis(oxidanyl)phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87862	.	.	.	.	360.3	C16H12N2O6S	148	592	2.6	25	4	8	3	"InChI=1S/C16H12N2O6S/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24/h1-8,19-21H,(H,22,23,24)"	C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C=C(C=C3)O)O)O)S(=O)(=O)O	JQBUVPRAKRZKRZ-UHFFFAOYSA-N
DG50700	"3,4-Dibromosulfolane"	85797	"3,4-Dibromosulfolane; 15091-30-2; 3,4-Dibromotetrahydrothiophene 1,1-dioxide; 3,4-dibromothiolane 1,1-dioxide; Thiophene, 3,4-dibromotetrahydro-, 1,1-dioxide; 3,4-Dibromotetrahydrothiophene-1,1-dioxide; MFCD00022536; C4H6Br2O2S; Thiophene, tetrahydro-3,4-dibromo-, 1,1-dioxide; Thiophene,4-dibromo-, 1,1-dioxide; Thiophene,4-dibromotetrahydro-, 1,1-dioxide; NSC 39636; BRN 0119352; NSC39636; NCIOpen2_004531; 3,4-DIBROMO SULFOLANE; SCHEMBL2681109; DTXSID80884784; 7311-84-4; ALBB-022878; NSC75382; BBL012241; HTS004164; NSC-39636; NSC-75382; STK803097; AKOS003244555; AKOS016039456; BS-9949; MCULE-5733132748; 3,4-Dibromotetrahydrothiophene1,1-dioxide; DB-043067; CS-0106384; D0679; FT-0637178; V3447; F12433; A809086; TRANS-3,4-DIBROMOTETRAHYDROTHIOPHENE 1,1 -DIOXIDE, 97%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75382	.	.	.	.	277.96	C4H6Br2O2S	42.5	177	1	9	0	2	0	"InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2"	C1C(C(CS1(=O)=O)Br)Br	CGWKQCYAMPDEGC-UHFFFAOYSA-N
DG50701	"2,3-Dibromopropionamide"	85798	"2,3-Dibromopropionamide; 2,3-Dibromopropanamide; 15102-42-8; Propanamide, 2,3-dibromo-; 2,3-Dibromopropionamide; NSC 144295; EINECS 239-153-5; NSC144295; Propionamide,3-dibromo-; 2,3-dibromo-propionamide; 2,3-Dibromopropanamide #; Propanamide,2,3-dibromo-; SCHEMBL55902; Propionamide, 2,3-dibromo-; DTXSID10864554; MFCD00031484; AKOS015833860; NSC 144295; NSC-144295; AC-19535; AS-58446; DB-043076; CS-0013982; D1378; FT-0609524; FT-0609525; D95258; W-108065"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144295	.	.	.	.	230.89	C3H5Br2NO	43.1	75.3	0.7	7	1	1	2	"InChI=1S/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)"	C(C(C(=O)N)Br)Br	DZQCMQRQFZXQKN-UHFFFAOYSA-N
DG50702	5-((p-(Dimethylamino)phenyl)azo)quinoline	87103	"NSC680467; 17416-17-0; BRN 0481879; N,N-Dimethyl-p-(5'-quinolylazo)aniline; N,N-Dimethyl-4-(5'-quinolylazo)aniline; 5-((p-(Dimethylamino)phenyl)azo)quinoline; Quinoline, 5-((p-(dimethylamino)phenyl)azo)-; 5-22-14-00658 (Beilstein Handbook Reference); CHEMBL1973497; 5-(4-Dimethylaminophenylazo)quinoline; NSC-680467; NCI60_028684; 5-[[(4-Dimethylamino)phenyl]azo]quinoline; N,N-dimethyl-4-[(E)-5-quinolylazo]aniline; N,N-Dimethyl-4-(5-quinolinyldiazenyl)aniline; Benzenamine,N-dimethyl-4-[(5-quinolinyl)azo]-; N,N-Dimethyl-N-(4-(5-quinolinyldiazenyl)phenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	680467	.	.	.	.	276.34	C17H16N4	40.8	347	4.5	21	0	4	3	"InChI=1S/C17H16N4/c1-21(2)14-10-8-13(9-11-14)19-20-17-7-3-6-16-15(17)5-4-12-18-16/h3-12H,1-2H3"	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3	BXRFPVFMVQNKGL-UHFFFAOYSA-N
DG50703	Chromone-3-carboxaldehyde	87112	"Chromone-3-carboxaldehyde; 17422-74-1; 4-Oxo-4H-chromene-3-carbaldehyde; 3-Formylchromone; 4-oxochromene-3-carbaldehyde; 3-CHROMONECARBALDEHYDE; 4-Oxo-4H-1-benzopyran-3-carboxaldehyde; 3-Formylchromones; 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-; MFCD00014667; CHEMBL86905; 3-FORMYL-4-OXO-4H-CHROMENE; EINECS 241-451-5; NSC291317; Chromone-3-Carbaldehyde; 3-Formylchromone, 97%; SCHEMBL127924; 4-oxo-chromene-3-carbaldehyde; ZINC57727; DTXSID30169795; AMY36751; STR02001; BDBM50131078; STK519609; 4-Oxo-4H-chromene-3-carbaldehyde #; AKOS000268840; CS-W017515; KAN-104141; MCULE-5229220901; NSC 291317; NSC-291317; BP-20173; NCI60_002396; SY048640; 4-oxo-4H-1-benzopyran-3- carboxaldehyde; DB-043972; FT-0615539; O0291; X6416; A811623; J-010972"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291317	.	.	.	.	174.15	C10H6O3	43.4	267	1.2	13	0	3	1	InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	C1=CC=C2C(=C1)C(=O)C(=CO2)C=O	FSMYWBQIMDSGQP-UHFFFAOYSA-N
DG50704	N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide	87517	"Naphthol AS-E phosphate; 18228-17-6; KG-501; Naphtholas-ephosphate; N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide; UNII-H6R6B93QFC; H6R6B93QFC; [3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate; 3-((4-Chlorophenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphate; 3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphate; dibenzylterephthalate; EINECS 242-106-1; KG 501; NASEP; CHEMBL1234585; SCHEMBL11979377; DTXSID10171275; HMS3886J10; BCP29194; EX-A2026; KG-501(Naphthol AS-E phosphate); ZINC2168663; MFCD00042718; NSC746568; s8409; AKOS024375425; DB08240; MCULE-1291316751; Naphthol AS-E phosphate, for histology; NSC 746568; NSC-746568; KG-501 (2-naphthol-AS-E-phosphate); HY-103299; CS-0027313; FT-0712758; C73512; Q27097463; N-(4-Chlorophenyl)-3-phosphonooxy-2-naphthalenecarboxamide; 3-(4-chlorophenylcarbamoyl)naphthalen-2-yl dihydrogen phosphate; N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide / KG-501 / NASEP; N3P"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	746568	.	.	.	.	377.7	C17H13ClNO5P	95.9	519	3	25	3	5	4	"InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O	RQAQWBFHPMSXKR-UHFFFAOYSA-N
DG50705	Acrophylline	87840	"Acrophylline; 18904-40-0; CHEBI:2438; 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one; 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4(9H)-one; Furo[2,3-b]quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-; Furo(2,3-b)quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-; 7-Methoxy-9-(3-methyl-2-butenyl)furo(2,3-b)quinolin-4(9H)-one; CHEMBL447116; DTXSID60172292; NSC121139; NSC 121139; NSC-121139; NCI60_000495; DS-001651; Furo[2, 7-methoxy-9-(3-methyl-2-butenyl)-; Q27105667; 7-Methoxy-9-(3-methyl-2-butenyl)furo[2,3-b]quinolin-4(9H)-one #; Furo[2,3-b]quinolin-4(9h)-one,7-methoxy-9-(3-methyl-2-buten-1-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121139	.	.	.	.	283.32	C17H17NO3	42.7	430	4	21	0	4	3	"InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3"	CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C	GARIOWCJZYSSOE-UHFFFAOYSA-N
DG50706	Terephthalohydroxamic acid	88356	"Terephthalohydroxamic acid; 20073-80-7; Terephthalodihydroxamic acid; Terephthalyldihydroxamic acid; 1-N,4-N-dihydroxybenzene-1,4-dicarboxamide; n,n'-dihydroxybenzene-1,4-dicarboxamide; Benzene-1,4-dicarbohydroxamic acid; WR 74,106; UNII-MS9G3AGO1L; MS9G3AGO1L; N,N'-dihydroxyterephthalamide; 1,4-Benzenedicarboxamide, N,N'-dihydroxy- (9CI); NSC 129408; N,N'-Dihydroxy-1,4-benzenedicarboxamide; BYD; 1, N,N'-dihydroxy-; YSZC410; N1,N4-Dihydroxyterephthalamide; SCHEMBL3673435; CHEMBL1979892; DTXSID30173892; ZINC4809443; N~1~,N~4~-dihydroxyterephthalamide; NSC129408; AKOS002321087; MCULE-4168412919; NSC-129408; NCI60_000662; WR 74106; CS-0169892; N1,N4-DIHYDROXYBENZENE-1,4-DICARBOXAMIDE; Q27458575"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129408	.	.	.	.	196.16	C8H8N2O4	98.7	199	-0.5	14	4	4	2	"InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)"	C1=CC(=CC=C1C(=O)NO)C(=O)NO	YAJCYOUHZABXFT-UHFFFAOYSA-N
DG50707	"1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene"	88715	"20858-12-2; 1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene; NSC668414; 2,2'-azobis[2-(2-imidazolin-2-yl)propane]; VA 061; bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene; VA-061; NSC-668414; Azobis-N,N'-dimethyleneisobutyroamidine; 1H-Imidazole, 2,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-; 2,2-azobis[2-(2-imidazolin-2-yl)propane]; 1H-Imidazole, 2,2'-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-; NSC668413; 1H-Imidazole, 2,2'-(azobis(1-methylethylidene))bis(4,5-dihydro-; 1H-Imidazole, 2,2'-(1,2-diazenediylbis(1-methylethylidene))bis(4,5-dihydro-; 2,2'-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride; AZO initiator VA-061; NCIStruc1_000704; NCIStruc2_001102; SCHEMBL148682; CHEMBL1741328; CHEMBL1995494; DTXSID0066662; C12H22N6; ZINC3954674; EINECS 244-085-4; 0670AB; CCG-38150; NCGC00014974; NCI668414; AKOS015853582; AKOS030228348; ZINC100013604; ZINC242548849; NSC 668414; Azobis(N,N'-dimethylene isobutylamidine); NCGC00014974-02; NCGC00098074-01; NCI60_023855; NCI60_023856; FT-0689248; Imidazole,2'-(azodiisopropylidene)bis[4,5-dihydro-; 2,2'-(Azodiisopropylidene)bis(4,5-dihydro-1H-imidazole); {2,2'-Azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride}; 1H-Imidazole,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-; (E)-bis[1-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-ethyl]diazene; 2-(1-((1-(4,5-dihydro-1H-imidazol-2-yl)-1-methylethyl)diazenyl)-1-methylethyl)-4,5-dihydro-1H-imidazole; 2-(1-((1-(4,5-Dihydro-1H-imidazol-2-yl)-1-methylethyl)diazenyl)-1-methylethyl)-4,5-dihydro-1H-imidazole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	668414	.	.	.	.	250.34	C12H22N6	73.5	367	-0.2	18	2	4	4	"InChI=1S/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)"	CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2	LWMFAFLIWMPZSX-UHFFFAOYSA-N
DG50708	3-Piperidino-2-phenylpropiophenone	89341	"3-Piperidino-2-phenylpropiophenone; Propiophenone, 2-phenyl-3-piperidino-; MLS002639477; 20451-28-9; 2-Phenyl-3-piperidino-propiophenone; NSC 33568; NSC33568; SCHEMBL6321267; CHEMBL1705928; HMS3091A09; NSC-33568; 1,2-Diphenyl-3-piperidino-1-propanone; SMR001548921; 1-Propanone,2-diphenyl-3-(1-piperidinyl)-; 1,2-diphenyl-3-(1-piperidinyl)-1-propanone; 1-Propanone, 1,2-diphenyl-3-(1-piperidinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33568	.	.	.	.	293.4	C20H23NO	20.3	336	4.1	22	0	2	5	"InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2"	C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	KJPKPBMWHKBKHG-UHFFFAOYSA-N
DG50709	"2-Amino-3,5-dinitrobenzonitrile"	89765	"2-Amino-3,5-dinitrobenzonitrile; 2-Cyano-4,6-dinitroaniline; 22603-53-8; Benzonitrile, 2-amino-3,5-dinitro-; UNII-RE81DV5UPA; RE81DV5UPA; EINECS 245-116-4; NSC510656; NSC 510656; SCHEMBL2954149; CHEMBL2007339; DTXSID6066812; 2-amino-3,5-dinitro-benzonitrile; ZINC4046765; STK377465; AKOS005449155; MCULE-1966229052; NSC-510656; NCI60_004230; A816536; 23057-66-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	510656	.	.	.	.	208.13	C7H4N4O4	141	324	1.2	15	1	6	0	"InChI=1S/C7H4N4O4/c8-3-4-1-5(10(12)13)2-6(7(4)9)11(14)15/h1-2H,9H2"	C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-]	RIYSFSQPHCAGLS-UHFFFAOYSA-N
DG50710	Cinchonine	90454	"cinchonine; 118-10-5; (+)-Cinchonine; D-Cinchonine; Cinchonan-9-ol, (9S)-; (8R,9S)-Cinchonine; (9S)-Cinchonan-9-ol; (+)-Cinconine; TCMDC-123933; cinchonin; UNII-V43X79NZCD; (+)-cinchonin; GNF-Pf-3189; MFCD00064372; V43X79NZCD; CHEBI:27509; NSC-6176; (1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; NSC6176; .alpha.-Quinidine; (S)-Quinolin-4-yl-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; 2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-; (+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol; (S)-quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; NSC 6176; EINECS 204-234-6; CINCHORINE; AI3-09058; Prestwick3_000608; 2-Quinuclidinemethanol, .alpha.-4-quinolyl-5-vinyl-; (+)-Cinchonine, 85%; (+)-Cinchonine; >99%; BSPBio_000516; MLS002153907; SCHEMBL158394; alpha-(5-Vinyl-2-quinuclidinyl)-4-quinolinemethanol; 2-Quinuclidinemethanol, alpha-(5-vinyl-2-quinolyl)-; BPBio1_000568; CHEMBL588619; MEGxp0_001905; DTXSID6045082; ACon0_001352; ACon1_000336; HMS2096J18; HMS2235N18; HY-Y0152; ZINC3881680; (+)-Cinchonine, analytical standard; BDBM50370411; AKOS015895982; LA40221; NCGC00169174-01; NCGC00169174-02; NCGC00262542-03; DS-15267; NCI60_005298; SMR001233256; Cinchonine, crystallized, >=98.0% (NT); AB00374715; CS-0008420; O10016; WLN: T66 BNJ EYQ-DT66 A B CNTJ A1U1; Q2972710; BRD-K90268819-001-03-4; 2-Quinuclidinemethanol, .alpha.-(5-vinyl-2-quinolyl)-; NCGC00262542-03_C19H22N2O_(9S)-Cinchonan-9-ol; (S)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol; (S)-quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol; (S)-Quinolin-4-yl((1S,2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6176	.	.	.	.	294.4	C19H22N2O	36.4	412	2.7	22	1	3	3	"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1"	C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O	KMPWYEUPVWOPIM-QAMTZSDWSA-N
DG50711	4-[6-(4-Hydroxyphenyl)hexyl]phenol	90481	"3682-95-9; 4,4'-(Hexane-1,6-diyl)diphenol; 24362-98-9; 4-[6-(4-hydroxyphenyl)hexyl]phenol; NSC19781; Phenol, 4,4'-(1,6-hexanediyl)bis-; 4,4'-(Hexamethylene)bisphenol; SCHEMBL5684044; 1,6-bis(p-hydroxyphenyl)hexane; 1,6-Bis(4-hydroxyphenyl)hexane; DTXSID40897390; ZINC1842893; EINECS 246-208-7; NSC-19781; DS-014793"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19781	.	.	.	.	270.4	C18H22O2	40.5	212	5.4	20	2	2	7	"InChI=1S/C18H22O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h7-14,19-20H,1-6H2"	C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)O)O	AYADRHKBOQJWQG-UHFFFAOYSA-N
DG50712	3-Dimethylamino-2-phenylpropiophenone hydrochloride	91378	"25287-79-0; MLS000077224; SMR000008711; NSC 33548; 3-Dimethylamino-1,2-diphenyl-propan-1-one; 3-Dimethylamino-2-phenylpropiophenone hydrochloride; beta-Dimethylamino-alpha-phenylpropiophenonehydrochloride; Propiophenone, 3-(dimethylamino)-2-phenyl-, hydrochloride; CHEMBL1584502; NSC33548; NSC-33548; 1-Propanone,2-diphenyl-, hydrochloride; SR-01000312941; SR-01000312941-1; .beta.-Dimethylamino-.alpha.-phenylpropiophenone hydrochloride; 1-Propanone, 3-(dimethylamino)-1,2-diphenyl-, hydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33548	.	.	.	.	289.8	C17H20ClNO	20.3	275	.	20	1	2	5	"InChI=1S/C17H19NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H"	CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl	BLOKTSBTOMCITO-UHFFFAOYSA-N
DG50713	Terreic acid	91437	"Terreic acid; (-)-Terreic Acid; 121-40-4; (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione; UNII-XM2Y0DRJ7D; XM2Y0DRJ7D; NSC294734; (1R,6S)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; 5,6-Epoxy-3-hydroxy-p-toluquinone; NSC 294734; 2-Hydroxy-3-methyl-1,4-benzoquinone 5,6-epoxide; BiomolKI_000073; (1R)-3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; BiomolKI2_000077; 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, stereoisomer; SCHEMBL51229; CHEMBL1455300; DTXSID40879070; CHEBI:156546; HMS3267H06; HMS3412M22; HMS3676M22; 3-Hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione; 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1R)-; AKOS006281919; ZINC100057173; CCG-100677; NSC-294734; SMP2_000322; NCGC00025148-02; NCGC00025148-03; NCI60_002449; HY-110013; CS-0032828; (-)-Terreic Acid, Synthetic - CAS 121-40-4; SR-01000597558; SR-01000597558-1; Q27293905; 7-Oxabicyclo[4.1.0]hept-3-ene-2, 3-hydroxy-4-methyl-, (1R-cis)-; 7-Oxabicyclo[4.1.0]hept-3-ene-2,5-dione,3-hydroxy-4-methyl-,(1R,6S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294734	.	.	.	.	154.12	C7H6O4	66.9	289	-0.2	11	1	4	0	"InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1"	CC1=C(C(=O)[C@H]2[C@@H](C1=O)O2)O	ATFNSNUJZOYXFC-RQJHMYQMSA-N
DG50714	Streptovitacin A	91467	"Streptovitacin A; Resactin A; Streptovitacin; 523-86-4; NSC 39147; U 9361; U-9361; MLS002702844; 4-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]piperidine-2,6-dione; NSC39147; 3-(2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)glutarimide; NSC39147;U 9361; SMR001566667; Glutarimide, 3-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)-, (-)-; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)-; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)- (9CI); AI3-50150; 3-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]glutarimide; 2,6-Piperidinedione, 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-; 4-hydroxycycloheximide; STREPTOVITACIN-A; cid_91467; CHEMBL509617; BDBM93498; DTXSID00911602; NSC-39147; NCI60_003701; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-; WLN: T6VMVTJ EYQ1- BL6VTJ DQ D1 F1; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-,(-)-; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-, (-)-; 2, 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-; 4-[2-hydroxy-2-(5-hydroxy-2-keto-3,5-dimethyl-cyclohexyl)ethyl]piperidine-2,6-quinone; 4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxo-cyclohexyl)ethyl]piperidine-2,6-dione; 4-[2-Hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-2,6-piperidinedione #; 11034-42-7; 2,6-Piperidinedione, 4-(2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl)- (VAN) (9CI); 4-[2-(3,5-dimethyl-5-oxidanyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione; 6-Hydroxy-4-[2-hydroxy-2-(5-hydroxy-3,5-dimethyl-2-oxocyclohexyl)ethyl]-4,5-dihydropyridin-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39147	.	.	.	.	297.35	C15H23NO5	104	447	-0.7	21	3	5	3	"InChI=1S/C15H23NO5/c1-8-6-15(2,21)7-10(14(8)20)11(17)3-9-4-12(18)16-13(19)5-9/h8-11,17,21H,3-7H2,1-2H3,(H,16,18,19)"	CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)O	NFDQYBUVHVRNNY-UHFFFAOYSA-N
DG50715	Diethyltin dichloride	91491	"Diethyltin dichloride; 866-55-7; Diethyldichlorotin; Dichlorodiethylstannane; Dichlorodiethyltin; Diethyltindichloride; Dichloro(diethyl)stannane; Stannane, dichlorodiethyl-; Diethyldichlorostannane; Tin, dichlorodiethyl-; Stannane,dichlorodiethyl-; Tin, diethyl-, dichloride; UNII-PGA900D045; PGA900D045; NSC302600; Diethyltin chloride; Diethylstannyl dichloride; Diethylstannium dichloride; Dichlorodiethyltin; Diethyldichlorostannane; Diethyldichlorotin; Diethylstannyl dichloride; Diethyltin dichloride; NSC 302600; Diaethylzinndichlorid; Diaethylzinndichlorid [German]; EINECS 212-750-8; NSC 302600; Diethyl dichloro tin; SCHEMBL183452; WLN: G-SN-G2&2; DTXSID20235690; MFCD00013609; AKOS015838484; ZINC195768219; NSC-302600; NCI60_002555; 3-[(3-Morpholinopropyl)amino]propionitrile; DB-056946; FT-0633037; Q27286547"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302600	.	.	.	.	247.74	C4H10Cl2Sn	0	47.7	.	7	0	0	2	"InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2"	CC[Sn](CC)(Cl)Cl	YFAXVVMIXZAKSR-UHFFFAOYSA-L
DG50716	Ethyl phenylpropiolate	91516	"Ethyl phenylpropiolate; 2216-94-6; Ethyl 3-phenylprop-2-ynoate; Ethyl 3-phenylpropiolate; Ethylphenylpropiolate; Ethyl 3-phenylpropynoate; 2-Propynoic acid, 3-phenyl-, ethyl ester; Ethyl phenylpropriolate; Ethyl phenylacetylenecarboxylate; Ethyl phenylpropynoate; Phenylpropiolic Acid Ethyl Ester; UNII-09CYB3Z9MR; NSC 41566; Propiolic acid, phenyl-, ethyl ester; Phenylacetylene monocarboxylic acid ethyl ester; 09CYB3Z9MR; MFCD00009185; 3-Phenyl-2-propynoic acid ethyl ester; 3-phenyl-prop-2-ynoic acid ethyl ester; Ethyl 3-phenyl-2-propynoate; CCRIS 4504; EINECS 218-703-8; BRN 0639637; AI3-04344; ethylphenylpropalate; Ethyl Phenylpropargylate; phenylacetylenecarboxylic acid ethyl ester; ethyl-3-phenylpropiolate; Ethyl phenylpropiolate, 98%; 4-09-00-02328 (Beilstein Handbook Reference); SCHEMBL852513; CHEMBL1992423; DTXSID9074858; Ethyl 3-phenyl-2-propynoate #; phenyl propynoic acid ethyl ester; phenyl-propynoic acid ethyl ester; phenylpropargylic acid ethyl ester; 3-Phenylpropynic acid ethyl ester; Ethyl 2-phenylacetylenecarboxylate; 3-Phenylpropiolic acid ethyl ester; ZINC391876; NSC41566; 5854AF; NSC-41566; AKOS007930276; ETHYL 3-PHENYLPROPIOLATE, 98%,; AS-58137; NCI60_003943; SY010778; DB-045828; CS-0066796; FT-0625789; P0814; P-4210; W18306; 2-Propynoic acid, 3-phenyl-, ethyl ester (9CI); Q26841274; F0001-0782; EPP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41566	.	.	.	.	174.2	C11H10O2	26.3	225	2.7	13	0	2	3	"InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3"	CCOC(=O)C#CC1=CC=CC=C1	ACJOYTKWHPEIHW-UHFFFAOYSA-N
DG50717	Anguidin	91518	"Diacetoxyscirpenol; Anguidin; Anguidine; 2270-40-8; CHEBI:4478; Scirpenetriol 4,15-diacetate; NSC177378; MM 4462; Diacetoxyscirpenol 100 microg/mL in Acetonitrile; 4.beta.,13-epoxytrichothec-9-ene; NSC141537; Diacetoxy scirpend; ANGUIDINE ANALOG DIACETOXYSCIRPENOL; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene,13-epoxy-4.beta.,15-diazetoxy-3.alpha.-hydroxy-; CHEMBL2005379; SCHEMBL16444688; Trichothec-9-ene-3.alpha.,15-triol, 12,13-epoxy-, 4,15-diacetate; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-; Diacetoxyscirpenol Standard Solution; ZINC4098261; AKOS030213162; CCG-208424; NSC-177378; AS-57020; NCI60_001481; A12296; Q426731; [(2R)-acetoxy-hydroxy-dimethyl-spiro[[ ]-2,2'-oxirane]yl]methyl acetate; Trichothec-9-3n3-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (3.alpha.,4.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141537	.	.	.	.	366.4	C19H26O7	94.6	687	0.2	26	1	7	5	"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	AUGQEEXBDZWUJY-ZLJUKNTDSA-N
DG50718	trans-4-OH CCNU	92073	"trans-4-OH CCNU; 52049-26-0; 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea; NSC-239717; 56239-24-8; NSC 239724; cis-4-Hydroxy-lomustine; Urea, 1-(2-chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitroso-; 4-Hydroxylomustine; cis-4-Hydroxy CCNU; cis-4-OH CCNU; trans-4-Hydroxy CCNU; Urea, 1-(2-chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitroso-; cis-4-Hydroxy-ccnu; trans-4-Hydroxy-ccnu; cis-4-OH-CCNU; NSC 239717; 1-(2-Chloroethyl)-3-(cis-4-hydroxycyclohexyl)-1-nitrosourea; 1-(2-Chloroethyl)-3-(trans-4-hydroxycyclohexyl)-1-nitrosourea; N-(2-Chloroethyl)-N'-(trans-4-hydroxycyclohexyl)-N-nitrosourea; trans-4-Hydroxy-lomustine; SCHEMBL3341308; SCHEMBL3341311; CHEMBL1970179; CHEMBL2051940; DTXSID30879605; ZINC5133452; NSC239717; NSC239724; NSC240024; NSC240025; Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, cis- (9CI); NSC-239724; NSC-240024; NSC-240025; NCI60_001924; DS-016003; 1-NO-1(2CLET)-3(4-OH CYHEXYL)UREA; 1-(2-Chloroethyl)-3-(4alpha-hydroxycyclohexan-1alpha-yl)-1-nitrosourea; Urea, N-(2-chloroethyl)-N'-(4-hydroxycyclohexyl)-N-nitroso-, trans- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	239724	.	.	.	.	249.69	C9H16ClN3O3	82	244	1.1	16	2	4	3	"InChI=1S/C9H16ClN3O3/c10-5-6-13(12-16)9(15)11-7-1-3-8(14)4-2-7/h7-8,14H,1-6H2,(H,11,15)"	C1CC(CCC1NC(=O)N(CCCl)N=O)O	BTNKSMIZKSHDNT-UHFFFAOYSA-N
DG50719	Tylophorine	92114	"Tylophorine; Tylophorin; 482-20-2; UNII-O41630Y8V3; CHEBI:9786; (+)-Tylophorine; O41630Y8V3; (S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline; (+)-(S)-Tylophorine; DCB-3500; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)-; (13aS)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine; NSC 76387; SCHEMBL523625; CHEMBL250426; DTXSID30964025; NSC76387; ZINC4098809; NSC-76387; NSC717335; NSC-717335; NCI60_040526; NCI60_041685; Q27108498; 2,6,7-Tetramethoxyphenanthro[9,10:6',7']indolizidine; UNII-279QJO8N7H component SSEUDFYBEOIWGF-AWEZNQCLSA-N; 2,3,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline; 9,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-; Dibenzo[f,2-b]isoquinoline,9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aS)-; (S)-9,11,12,13,13a,14-Hexahydro-2,3,6,7-tetramethoxydibenzo(f,h)pyrrolo(1,2-b)isoquinoline; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76387	.	.	.	.	393.5	C24H27NO4	40.2	573	4.7	29	0	5	4	"InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1"	COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC)OC	SSEUDFYBEOIWGF-AWEZNQCLSA-N
DG50720	beta-Peltatin	92122	"beta-Peltatin; beta-Peltatin A; 518-29-6; PELTATIN B; Peltatin methyl ether; PELTATIN, BETA; PELTATIN; NSC 24819; UNII-3U9W61G72Y; (-)-beta-peltatin; BRN 0099483; AI3-50532; NSC24819; CHEBI:74867; 3U9W61G72Y; NSC35471; .alpha.-Peltalin A; (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; .beta.-Peltatin; .beta.-Peltatin A; alpha-Peltalin A; MLS002702982; beta-peltatin-a; Peltatin, beta-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-; .beta.-Peltatin-B; (-)-; A-Peltatin; Spectrum_001780; Spectrum3_001096; Spectrum4_001925; Spectrum5_001882; BSPBio_002772; KBioGR_002270; KBioSS_002261; 5-19-10-00670 (Beilstein Handbook Reference); CHEMBL97543; SCHEMBL516627; SPECTRUM1504739; KBio2_002260; KBio2_004828; KBio2_007396; KBio3_001992; DTXSID10199732; ZINC3871713; NSC-24819; NSC-35471; SDCCGMLS-0066768.P001; NCGC00161926-01; NCGC00161926-02; NCI60_001982; XP178053; BRD-K13265046-001-02-1; Q27144976; (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha))- (9CI); Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24819	.	.	.	.	414.4	C22H22O8	92.7	629	2.9	30	1	8	4	"InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O	HLBPOYVRLSXWJJ-PDSMFRHLSA-N
DG50721	alpha-Peltatin	92129	"alpha-Peltatin; alpha-Peltatin A; 568-53-6; PELTATIN, ALPHA; UNII-EHO76Y1JAO; .alpha.-Peltatin; NCI 1074; NSC 24817; PELTATIN A; NSC24817; EHO76Y1JAO; CHEBI:10324; NCI-1074; Peltatin-A; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-, .gamma.-lactone; CHEMBL95972; SCHEMBL15220296; DTXSID30205349; NSC35463; ZINC3776888; NSC-24817; NSC-35463; (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-; NCI60_001980; Q27108616; (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; (5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; [5R-(5alpha,5aalpha,5abeta,8aalpha)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one; 8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24817	.	.	.	.	400.4	C21H20O8	104	614	2.6	29	2	8	3	"InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O	JGGWNGRBXJWAOC-HKJPBSJPSA-N
DG50722	Formyl Violet	92206	"Formyl Violet; Violet bnp; Acid Violet ACS; Food Violet 1; Acid Violet 4BO; Acid Violet 5BS; Amacid Violet 3B; Erio Violet 6BN; Violet S4R; Derma Violet 4BR; Solar Violet 4BN; Violet 2EMBL; Bucacid Wool Violet; Fenazo Violet X4B; Formyl Violet S4B; Hidacid Wool Violet; Burmese Violet 4BO; Fast Acid Violet B; Leather Violet S4B; Milling Violet S4B; Formyl Violet S4BA; Pontacyl Violet C4B; Pontacyl Violet S4B; Vondamol Violet S4B; Merantine Violet S4B; Airedale Violet 4BNS; Calcocid Violet 4BXN; Hispacid Violet X4BF; Pontacyl Violet C4BN; Acid Leather Violet B; 1942 Violet; C.I. Food Violet 1; Acid Leather Violet 2B; Acid Leather Violet 3B; Coomassie Lake Violet R; Mitsui Acid Violet 5BN; Metamine Fast Violet 4B; Brilliant Acid Violet 4B; Sumitomo Acid Violet 5BN; Shimazaki Acid Violet 5BN; Acidal Brilliant Violet 2B; Acidal Brilliant Violet 6B; Cetil Brilliant Violet S4B; Tertracid Milling Violet 4B; Naphthalene Leather Violet R; Brilliant Milling Violet S4B; C.I. Acid Violet 17, sodium salt; C.I. 42650; SCHEMBL14400200; NSC5019; NSC-5019; NSC71963; ZINC4365635; NSC-71963; N-(3-Sulfonatobenzyl)-N-ethyl-4-[alpha-[4-(diethylamino)phenyl]-4-[ethyl(3-sulfonatobenzyl)amino]benzylidene]-2,5-cyclohexadienylideneiminium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5019	.	.	.	.	741	C41H46N3O6S2+	135	1390	6.9	52	2	8	14	"InChI=1S/C41H45N3O6S2/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50)/p+1"	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O	BTWMAWYAYFSBNC-UHFFFAOYSA-O
DG50723	Trimelamol	92368	"Trimelamol; Trimethyl TMM; 64124-21-6; Trimethyloltrimethylmelamine; NSC 283162; NSC283162; UNII-UST4Z70290; ((s-Triazine-2,4,6-triyl)trimethyltrinitrilo)trimethanol; UST4Z70290; Methanol, ((s-triazine-2,4,6-triyl)trimethyltrinitrilo)tri-; Methanol, (1,3,5-triazine-2,4,6-triyltris(methylimino))tris-; BRN 4261541; CB 10375; CB-10-375; NCIMech_000583; CHEMBL133987; SCHEMBL1419460; DTXSID70214334; CCG-35699; N(2),N(4),N(6)-trihydroxymethyl-N(2),N(4),N(6)-trimethylmelamine; NSC-283162; CB-10375; NCI60_002322; Methanol,3,5-triazine-2,4,6-triyltris(methylimino)]tris-; ((1,3,5-Triazine-2,4,6-triyl)tris(methylazanediyl))trimethanol; Methanol, {[1,3,5-triazine-2,4,6-triyltris(methylimino)]tris-}; ((4,6-Bis((hydroxymethyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methanol; [(4,6-Bis[(hydroxymethyl)(methyl)amino]-1,3,5-triazin-2-yl)(methyl)amino]methanol #; [[4,6-bis[hydroxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283162	.	.	.	.	258.279	C9H18N6O3	109	196	0.4	18	3	9	6	"InChI=1S/C9H18N6O3/c1-13(4-16)7-10-8(14(2)5-17)12-9(11-7)15(3)6-18/h16-18H,4-6H2,1-3H3"	CN(CO)C1=NC(=NC(=N1)N(C)CO)N(C)CO	MHVFYGIQJNFWGQ-UHFFFAOYSA-N
DG50724	"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-"	92390	"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-; 74141-74-5; SR 2555; N,N-Di-(2-hydroxyethyl)-2-(2-nitro-1-imidazolyl)acetamide; NSC314055; SR-2555; MLS003115926; CHEMBL188374; N,N-bis(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide; NCI-314055; NSC 314055; TX 1892; N,N-Bis(2-hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide; SCHEMBL11179190; DTXSID40225114; ZINC1570736; BDBM50154448; NSC-314055; NCI60_002708; SMR001831488; 1H-Imidazole-1-acetamide,N-bis(2-hydroxyethyl)-2-nitro-; N,N-Bis(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamide #; N,N-Bis-(2-hydroxy-ethyl)-2-(2-nitro-imidazol-1-yl)-acetamide; N,N-Bis(2-hydroxyethyl)-2-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314055	.	.	.	.	258.23	C9H14N4O5	124	289	-1.6	18	2	6	6	"InChI=1S/C9H14N4O5/c14-5-3-11(4-6-15)8(16)7-12-2-1-10-9(12)13(17)18/h1-2,14-15H,3-7H2"	C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO	KGFGBSRVWKBWIC-UHFFFAOYSA-N
DG50725	8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid	92577	"56990-57-9; NSC-87877; NSC 87877; NSC87877; CHEMBL472004; 8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid; 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-; 8-HYDROXY-7-[(6-SULFO-2-NAPHTHYL)AZO]-5-QUINOLINESULFONIC ACID; 5-Quinolinesulfonicacid, 8-hydroxy-7-[2-(6-sulfo-2-naphthalenyl)diazenyl]-; (E)-8-hydroxy-7-((6-sulfonaphthalen-2-yl)diazenyl)quinoline-5-sulfonic acid; NCGC00013917; NCIStruc1_001562; NCIStruc2_001738; MLS006010814; CHEMBL1208151; CHEMBL1404918; SCHEMBL13738901; SCHEMBL14154415; SCHEMBL22494078; CHEBI:95064; SYN5212; C19H13N3O7S2; BDBM152210; HMS3742K15; NCI87877; ZINC3954176; BDBM50087879; CCG-37311; ZINC12405220; ZINC33838224; 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid; AKOS024457197; ZINC100132978; ZINC100428951; ZINC257350971; NCGC00013917-02; NCGC00013917-08; NCGC00013917-09; NCGC00097026-01; NCGC00346803-01; AS-16570; HY-18756; NCI60_041943; SMR004701746; CS-0014260; A899784; Q27166834; 8-hydroxy-7-((6-sulfo-2-naphthyl)diazenyl)-5-quinolinesulfonic acid; 8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline-5-sulfonic acid; 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid; 8-hydroxy-7-[(E)-(6-sulfo-2-naphthyl)azo]quinoline-5-sulfonic acid; 8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87877	.	.	.	.	459.5	C19H13N3O7S2	183	883	2.4	31	3	10	4	"InChI=1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)"	C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O	XGMFVZOKHBRUTL-UHFFFAOYSA-N
DG50726	Cryptopleurine	92765	"Cryptopleurine; 482-22-4; R-Cryptopleurine; CRYPTOPLEURINE (I); (-)-Cryptopleurine; NSC19912; UNII-3JZK58H75B; CHEBI:3932; (14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine; 3JZK58H75B; (14ar)-2,3,6-Trimethoxy-11,12,13,14,14a,15-Hexahydro-9h-Dibenzo[f,H]pyrido[1,2-B]isoquinoline; 11,12,13,14,14a,15-Hexahydro-2,3,6-trimethoxy-9H-phenanthro(9,10-b)quinolizine; 9H-Dibenzo[f,h]pyrido[1,2-b]isoquinoline, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-; 9H-Dibenzo(f,h)pyrido(1,2-b)isoquinoline, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-; NSC 19912; CHEMBL198075; DTXSID3075414; SCHEMBL12780396; ZINC4098776; BDBM50478890; NSC-19912; NCI60_001653; Q27106253; 9H-Phenanthro[9, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-; 9H-Phenanthro[9, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (R)-; 3K8; 9H-Phenanthro(9,10-b)quinolizine, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (R)- (9CI); 9H-Phenanthro[9,10-b]quinolizine, 11,12,13,14,14a,15-hexahydro-2,3,6-trimethoxy-, (14aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19912	.	.	.	.	377.5	C24H27NO3	30.9	542	5.1	28	0	4	3	"InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1"	COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC	RSHYSOGXGSUUIJ-OAHLLOKOSA-N
DG50727	3-(Dimethylamino)propiophenone hydrochloride	92844	"879-72-1; 3-Dimethylaminopropiophenone hydrochloride; 3-(Dimethylamino)propiophenone hydrochloride; 3-(dimethylamino)-1-phenylpropan-1-one hydrochloride; TCMDC-125532; 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride; beta-Dimethylaminopropiophenone hydrochloride; 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride; 3-DIMETHYLAMINOPROPIOPHENONE HCl; 3-Dimethylaminopropiophenonehydrochloride; 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1); WLN: 1N1&2VR &GH; (Dimethylamino)propiophenone hydrochloride; NSC 89; NSC629913; Dimethylaminoethylphenylketone hydrochloride; .beta.-(Dimethylamino)propiophenone hydrochloride; 3-dimethylamino-1-phenyl-1-propanone hydrochloride; EINECS 212-909-1; NSC 31269; Propiophenone, 3-(dimethylamino)-, hydrochloride; NSC89; SCHEMBL173470; CHEMBL528663; DTXSID9061253; NSC31269; BBL027796; MFCD00012481; NSC-31269; STL370397; AKOS005258675; ACN-049388; NSC-629913; 3-(Dimethylamino)-1-phenylpropan-1-one HCl; beta-Dimethylamino propiophenone hydrochloride; CS-0001978; D2400; FT-0622601; V1749; EN300-27417; D78507; 3-(Dimethylamino)propiophenone hydrochloride, 99%; 3-dimethylamino-1-phenyl-propan-1-one hydrochloride; J-640223; J-800224; W-100423"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89	.	.	.	.	213.7	C11H16ClNO	20.3	160	.	14	1	2	4	"InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H"	CN(C)CCC(=O)C1=CC=CC=C1.Cl	DKNDBIIKSJWQFL-UHFFFAOYSA-N
DG50728	Fluoroimide	93228	"Fluoroimide; 41205-21-4; Fluoromide; 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione; Spat; Spartcide; MK 23; N-p-Fluorophenyl-2,3-dichloromaleimide; 2,3-Dichloro-N-4-fluorophenylmaleimide; 3,4-dichloro-1-(4-fluorophenyl)pyrrole-2,5-dione; UNII-2RA6KRO7U9; 2RA6KRO7U9; 1H-Pyrrole-2,5-dione, 3,4-dichloro-1-(4-fluorophenyl)-; CHEBI:81826; NSC622384; BRN 1534427; Sparticide; SCHEMBL68964; CHEMBL1989810; DTXSID7058092; ZINC147913; MFCD00053087; AKOS000273474; DS-3252; MCULE-7835554825; NSC-622384; AC-25665; NCI60_006542; N-(4-fluorophenyl)-2,3-dichloromaleimide; CS-0157493; C18551; D97399; Fluoroimide, PESTANAL(R), analytical standard; Q19279670; 3,4-dichloro-1-(4-fluorophenyl)-1N-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	622384	.	.	.	.	260.04	C10H4Cl2FNO2	37.4	351	2.8	16	0	3	1	InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H	C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F	IPENDKRRWFURRE-UHFFFAOYSA-N
DG50729	cis-Cccnu	93238	"cis-Cccnu; Cis-acid; NSC 153174; 42558-93-0; 42558-94-1; NSC-153174; Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI); NSC 153175; 4-({[(2-chloroethyl)(nitroso)amino]carbonyl}amino)cyclohexanecarboxylic acid; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; trans-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid; Urea, 3-(4-carboxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-; CHEMBL12920; CHEMBL1964420; CHEMBL1990387; DTXSID40195343; NSC153174; NSC153175; ZINC16977208; cis-4-((((2-Chloroethyl)nitrosamino)carbonyl)amino)-cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (E)-; Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-; NSC-153175; NCI60_001079; NCI60_001080; 4-(3-(2-chloroethyl)-3-nitrosoureido)-cis-cyclohexane-carboxylic acid; 4beta-[3-(2-Chloroethyl)-3-nitrosoureido]-1alpha-cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, cis- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153175	.	.	.	.	277.7	C10H16ClN3O4	99.1	318	1.7	18	2	5	4	"InChI=1S/C10H16ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)"	C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O	VGKZBAMIYUHSMU-UHFFFAOYSA-N
DG50730	Dichlorodipropylstannane	93562	"Dichlorodipropylstannane; 867-36-7; Dipropyltin dichloride; Stannane, dichlorodipropyl-; dichloro(dipropyl)stannane; Dichlorodipropyltin; Di-n-propyltin dichloride; Dipropyltin chloride; Tin, dichlorodipropyl-; UNII-714O4P8M1O; DI-N-PROPYL-TIN-DICHLORIDE; 714O4P8M1O; Di-n-propyltin-dichloride; Dipropylstannium dichloride; Tin, dipropyl-, dichloride; NSC 92618; Di-n-propyldichlorotin; di-n-Propyl tin dichloride; WLN: G-SN-G3&3; DTXSID20235776; NSC92618; dipropylstannanebis(ylium) dichloride; MFCD00053213; NSC-92618; AKOS015902833; ZINC170031905; GS-5709; DA-34908; FT-0699096; Di-n-propyltin dichloride 10 microg/mL in Isooctane; Di-n-propyltin Dichloride 1000 microg/mL in Methanol; Q27265926"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92618	.	.	.	.	275.79	C6H14Cl2Sn	0	65.5	.	9	0	0	4	"InChI=1S/2C3H7.2ClH.Sn/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H;/q;;;;+2/p-2"	CCC[Sn](CCC)(Cl)Cl	CTRHCENQKGMZLE-UHFFFAOYSA-L
DG50731	1-(2-Thiazolylazo)-2-naphthol	93572	"1147-56-4; 1-(2-Thiazolylazo)-2-naphthol; ERGi-USU; 2-Naphthalenol, 1-(2-thiazolylazo)-; NSC139021; 1-(2-Thiazoylazo)-2-naphthol; MLS000738280; 2-Naphthol, 1-(2-thiazolylazo)-; TAN; 1-[2-(2-Thiazolyl)diazenyl]-2-naphthalenol; 2-Naphthalenol, 1-[2-(2-thiazolyl)diazenyl]-; SMR000528601; 1-(1,3-thiazol-2-yldiazenyl)-2-naphthol; (E)-1-(thiazol-2-yldiazenyl)naphthalen-2-ol; (1Z)-1-(2-thiazolylhydrazinylidene)-2-naphthalenone; 1-(Thiazol-2-ylazo)-2-naphthol; 61433-07-6; 2-Naphthalenol, 1-(2-(2-thiazolyl)diazenyl)-; EINECS 214-555-3; NSC 139021; 1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol; SCHEMBL2732737; 1-[2-(1,3-thiazol-2-yl)diazen-1-yl]naphthalen-2-ol; CHEMBL1511179; CHEMBL2094383; DTXSID7061566; BDBM55877; cid_6308684; GCBAKGGJQPMJLL-NTCAYCPXSA-; (1Z)-1-(1,3-thiazol-2-ylhydrazinylidene)naphthalen-2-one; HMS2862E06; DNDI1417016; MFCD00021611; ZINC18088711; AKOS015912775; AKOS028108903; ZINC100019655; ZINC100029799; ZINC100285890; ZINC253529435; MCULE-9767814356; NSC-139021; NCGC00246736-01; AS-66196; 2-Naphthol, 1-(2-thiazolylazo)- (8CI); DB-041231; HY-112158; CS-0043502; FT-0605571; A16901; T70103; (1Z)-1-(thiazol-2-ylhydrazono)naphthalen-2-one; A803224; AF-886/30582058; 1-[(E)-1,3-Thiazol-2-yldiazenyl]-2-naphthol #; 1-(2-Thiazolylazo)-2-naphthol, for spectrophotometric det. of Cd, Co, Cu, Mn, Ni, Tl, >=99.0%; TAN [=1-(2-THIAZOLYLAZO)-2-NAPHTHOL] [SPECTROPHOTOMETRIC REAGENT FOR TRANSITION METALS]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139021	.	.	.	.	255.3	C13H9N3OS	86.1	313	4	18	1	5	2	"InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H"	C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O	IOMXCGDXEUDZAK-UHFFFAOYSA-N
DG50732	Mansonone F	94304	"Mansonone F; 5090-88-0; UNII-BZI06H42QB; BZI06H42QB; Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-; Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl- (8CI)(9CI); NSC 113136; CHEMBL197655; SCHEMBL3397051; WSRLWSPFIOAYST-UHFFFAOYSA-; DTXSID20198933; NSC113136; NSC-113136; Naphtho[1,8-dione, 3,6,9-trimethyl-; NCI60_000295; DS-001066; 3,6,9-Trimethylbenzo[de]chromene-7,8-dione; 3,6,9-Trimethylbenzo[de]chromene-7,8-dione #; 3,6,9-Trimethylnaphtho(1,8-bc)pyran-7,8-dione; 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113136	.	.	.	.	240.25	C15H12O3	43.4	498	2	18	0	3	0	"InChI=1S/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3"	CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C	WSRLWSPFIOAYST-UHFFFAOYSA-N
DG50733	"2,5-Bis(1-aziridinyl)hydroquinone"	94797	"2,5-Bis(1-aziridinyl)hydroquinone; 2,5-Diaziridinylhydroquinone; 2588-34-3; 2,5-Bis(ethylamino)hydroquinone; 2,5-bis(aziridin-1-yl)benzene-1,4-diol; UNII-MH2KJH9QH5; MH2KJH9QH5; 2,5-bis-aziridin-1-yl-hydroquinone; 2,5-Dzhq; 2,5-Bis(1-aziridinyl)benzoquinone; NSC 3262; AI3-50677; 1,4-Benzenediol, 2,5-bis(1-aziridinyl)-; SCHEMBL11567310; 1, 2,5-bis(1-aziridinyl)-; DTXSID10180524; NSC3262; 2,5-bis-ethylenimino-hydroquinone; 2,5-Di(1-aziridinyl)hydroquinone; Hydroquinone,5-bis(1-aziridinyl)-; NSC-3262; ZINC1666671; AKOS024357160; MCULE-5277611758; DS-008397; Hydroquinone, 2,5-bis(1-aziridinyl)- (8CI); 1,4-BENZENEDIOL,2,5-BIS(1-AZIRIDINYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3262	.	.	.	.	192.21	C10H12N2O2	46.5	204	1	14	2	4	2	"InChI=1S/C10H12N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6,13-14H,1-4H2"	C1CN1C2=CC(=C(C=C2O)N3CC3)O	XPZMWTZEBALMMC-UHFFFAOYSA-N
DG50734	Camphoric anhydride	94834	"Camphoric anhydride; 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione; d-Camphoric anhydride; 76-32-4; dl-Camphoric anhydride; 595-30-2; NSC4559; NSC60293; NSC657821; (1R)-Camphoric anhydride; (+/-)-camphoric anhydride; (-) camphoric anhydride; 1, 1,2,2-trimethyl-; SCHEMBL426068; 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-, (1S)-; 5,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione; CHEMBL1978242; 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-; DTXSID90871781; AMY31071; NSC-4559; NSC-60293; AKOS002162374; AKOS016290126; MCULE-1492270496; NSC-657821; NCI60_020164; FT-0623432; FT-0623433; FT-0624349; 3-Oxabicyclo[3.2.1]octane-2, 1,8,8-trimethyl-; F0848-0104; 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione #; 3-Oxabicyclo[3.2.1]octane-2, 1,8,8-trimethyl-, (.+-.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657821	.	.	.	.	182.22	C10H14O3	43.4	293	1.8	13	0	3	0	"InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3"	CC1(C2CCC1(C(=O)OC2=O)C)C	VFZDNKRDYPTSTP-UHFFFAOYSA-N
DG50735	"2-Nitrophenanthrene-9,10-dione"	94860	"2-nitrophenanthrene-9,10-dione; 604-95-5; 2-Nitrophenanthraquinone; 2-Nitro-9,10-phenanthrenedione; 9,10-Phenanthrenedione, 2-nitro-; NSC-23180; CHEMBL433282; NSC23180; PD081126; 9, 2-nitro-; NSC5425; 2-nitro-9,10-phenanthrenequinone; 2-nitro-9,10-dihydrophenanthrene-9,10-dione; SCHEMBL2599395; BDBM22858; DTXSID90209161; 1,2-Dione-Based Compound, 15; NSC 5425; NSC-5425; ZINC1686937; NSC 23180; STK246885; AKOS001483088; CCG-354139; MCULE-2114795800; BP-22843; SR-01000388930; SR-01000388930-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5425	.	.	.	.	253.21	C14H7NO4	80	428	2.3	19	0	4	0	InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H	C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O	KNAXWOBOCVVMST-UHFFFAOYSA-N
DG50736	"Naphtho[1,2-d]thiazol-2-amine"	94880	"Naphtho[1,2-d]thiazol-2-amine; 40172-65-4; 2-Amino-beta-naphthothiazole; SKA-31; Naphtho[1,2-d]thiazol-2-ylamine; SKA 31; 2-Aminonaphthiazole; naphtho[1,2-d][1,3]thiazol-2-amine; benzo[e][1,3]benzothiazol-2-amine; 2-Aminonaphtho(1,2-d)thiazole; 2-Aminonaphtho[1,2-d]thiazole; UNII-SW12CAS9T7; SW12CAS9T7; 2-Amino-.beta.-naphthothiazole; Naphtho(1,2-d)thiazol-2-amine; MFCD00051329; C11H8N2S; NSC6278; NSC 6278; EINECS 254-822-1; thiazol-2-amine, 4; SKA31; Oprea1_123745; Oprea1_842194; MLS001143367; 2-Aminonaphtho(1,2)thiazole; GTPL2335; SCHEMBL1801464; CHEMBL1709719; DTXSID2068216; BDBM31193; naphtho[1,2-d]thiazole-2-amine; HMS2791B03; HMS3414E13; HMS3678E13; ALBB-031233; AMY36754; BCP30681; NSC-6278; ZINC8580408; STK396352; AKOS000111744; CCG-276748; CS-W015606; MCULE-6174926124; 2-AMINO-NAPHTHO[1,2-D]THIAZOLE; BS-17220; SKA-31, >=98% (HPLC); SMR000473202; HY-111655; B7462; BB 0216544; EU-0033434; FT-0611254; Naphtho[1,2-d][1,3]thiazol-2-ylamine #; EN300-02524; SR-01000389020; SR-01000389020-1; Q27088806; Z56887668; F0349-2149; F1386-0401; 111886-81-8; SKA 31; SKA31;Naphtho[1,2-d]thiazol-2-ylamine; 2-Amino-beta-naphthothiazole; 2-Aminonaphthiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6278	.	.	.	.	200.26	C11H8N2S	67.2	221	3.3	14	1	3	0	"InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)"	C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N	FECQXVPRUCCUIL-UHFFFAOYSA-N
DG50737	6-Hydrazinopurine	94902	"6-Hydrazinopurine; 5404-86-4; 6-hydrazinyl-9H-purine; 6-Hydrazino-1H-purine; 7H-purin-6-ylhydrazine; Purine, 6-hydrazino-; 6-hydrazinyl-7H-purine; 6H-Purin-6-one, 1,7-dihydro-, hydrazone; UNII-4PX9EKA7KY; 4PX9EKA7KY; (9H-Purin-6-yl)hydrazine; 6-HYDRAZINYL-1H-PURINE; GNF-PF-1671; MFCD00703067; N-Aminoadenine; NSC 7354; 9H-Purine,6-hydrazinyl-; 1,7-Dihydro-6H-purin-6-one hydrazone; 6-hydrazino-purine; 6-hydrazino-7H-purine; 9H-Purine, 6-hydrazino-; 6-hydrazino-7(9)H-purine; Oprea1_856967; 6H-Purin-6-one, 1,7-dihydro-, hydrazone (9CI); CHEMBL394752; SCHEMBL1095418; AMY2387; DTXSID90202374; NSC7354; ACT05794; NSC-7354; ZINC2383126; BBL028884; STL290565; 1,7-dihydro-6h-purin-6-onehydrazone; AKOS000192656; AKOS005177414; AKOS025402051; AKOS028109023; AC-3553; MCULE-1941041892; 6H-Purin-6-one,7-dihydro-, hydrazone; (E)-6-hydrazono-6,7-dihydro-1H-purine; DS-12693; U850; DB-052464; CS-0155488; FT-0635674; EN300-51129; 7H-purin-6-ylhydrazine;6-Hydrazinyl-9H-purine; D70741; 404H864; 404P864; A829926; Z2327040064"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7354	.	.	.	.	150.14	C5H6N6	92.5	139	-0.2	11	3	5	1	"InChI=1S/C5H6N6/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H2,7,8,9,10,11)"	C1=NC2=C(N1)C(=NC=N2)NN	IUEISQYNCXVHTJ-UHFFFAOYSA-N
DG50738	Benzoyl leuco methylene blue	94975	"Benzoyl leuco methylene blue; 1249-97-4; Benzoylleukomethylene blue; Methylene blue leucobenzoyl; N-Benzoylleucomethylene Blue; 10-Benzoyl-3,7-bis(dimethylamino)phenothiazine; NSC 11881; Benzoylleucomethyleneblue; 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-; Methylene blue leucobenzoy; 3,7-Bis(dimethylamino)-10-benzoylphenothiazine; Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-; MLS000737962; GNF-PF-4992; NSC11881; [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone; Methanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-; EINECS 215-005-5; AI3-17179; Methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)phenyl-; benzoyl leucomethylene blue; N-benzoylleuco methylene blue; SCHEMBL388483; CHEMBL275177; DTXSID3061639; ZINC4347718; Phenothiazine,7-bis(dimethylamino)-; CCG-41402; MFCD00059153; NSC-11881; AKOS037647001; MCULE-7540580869; NCGC00246723-01; AS-71895; SMR000528108; B0207; FT-0760404; D88613; SR-01000631485-1; 10-Benzoyl-3,7-bis(dimethylamino)-10H-phenothiazine; 10H-Phenothiazine-3, 10-benzoyl-N,N,N',N'-tetramethyl-; [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenyl-methanone; (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)(phenyl)methanone; 10-benzoyl-N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11881	.	.	.	.	389.5	C23H23N3OS	52.1	516	4.9	28	0	4	3	"InChI=1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3"	CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4	ZKURGBYDCVNWKH-UHFFFAOYSA-N
DG50739	"3-Amino-7-chloro-1,2,4-benzotriazine"	95001	"3-Amino-7-chloro-1,2,4-benzotriazine; 5423-53-0; 7-chloro-1,2,4-benzotriazin-3-amine; 1,2,4-Benzotriazine, 3-amino-7-chloro-; MLS002638305; CHEMBL1728139; 7-chlorobenzo[e][1,2,4]triazin-3-amine; NSC13204; LEADIVPROPIONATE; SCHEMBL6366137; DTXSID80202580; TQP0605; HMS3078A05; ZINC1683312; 7798AB; BDBM50356937; MFCD00024044; NSC 13204; NSC-13204; AKOS006271763; MB00343; DS-12941; SMR001547793; DB-071814; FT-0746900; C75546; A870512"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13204	.	.	.	.	180.59	C7H5ClN4	64.7	166	0.9	12	1	4	0	"InChI=1S/C7H5ClN4/c8-4-1-2-5-6(3-4)11-12-7(9)10-5/h1-3H,(H2,9,10,12)"	C1=CC2=C(C=C1Cl)N=NC(=N2)N	KTIMFFFWQOYBMI-UHFFFAOYSA-N
DG50740	"2,4,7-Triamino-6-o-tolylpteridine"	95122	"UNII-U7TEV282FU; 2853-69-2; 2,4,7-Triamino-6-o-tolylpteridine; Pteridine, 6-o-tolyl-2,4,7-triamino-; 2,4,7-Pteridinetriamine, 6-(2-methylphenyl)-; U7TEV282FU; FDA 0283; NSC19441; Wrair-ZB; WR 3090; NSC 19441; BRN 0554022; 5-26-17-00451 (Beilstein Handbook Reference); CHEMBL1992508; SCHEMBL10456495; DTXSID40182753; ZINC1566879; 6-ortho-tolylpteridine 2,7 triamine; NSC-19441; Pteridine-2, 6-(2-methylphenyl)-; 6-(o-tolyl)pteridine-2,4,7-triamine; NCI60_001623; Pteridine-2,4-7-triamine, 6-(2-methylphenyl)-; Q27290809"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19441	.	.	.	.	267.29	C13H13N7	130	339	1.3	20	3	7	1	"InChI=1S/C13H13N7/c1-6-4-2-3-5-7(6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)"	CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N	GXCOXYQKWSWCGG-UHFFFAOYSA-N
DG50741	6-Benzylthioinosine	95263	"6-Benzylthioinosine; NSC26273; 6-Benzylthionebularine; MLS002702829; CHEMBL178704; 6165-03-3; 6-Benzylthiopurine ribonucleoside; NSC-26273; 6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine; cid_95263; ChEMBL_299712; SCHEMBL15427008; DTXSID10977234; BDBM50159129; NSC 26273; NCI60_002098; SMR001566656; AI3-50272; 9H-Purine, 6-(benzylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine, 6-((phenylmethyl)thio)-9-beta-D-ribofuranosyl-; 9H-Purine, 6-(benzylthio)-9-beta-D-ribofuranosyl- (8CI); 9H-Purine, 6-[(phenylmethyl)thio]-9-.beta.-D-ribofuranosyl-; 2-(hydroxymethyl)-5-[6-(phenylmethylsulfanyl)purin-9-yl]oxolane-3,4-diol; 2-[6-(benzylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-Hydroxymethyl-5-[6-(4-nitro-benzylsulfanyl)-purin-9-yl]-tetrahydro-furan-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26273	.	.	.	.	374.4	C17H18N4O4S	139	470	1.6	26	3	8	5	"InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O	OMJRXFOHHLLDFR-UHFFFAOYSA-N
DG50742	"Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-"	95307	"NSC1012; 5394-35-4; MLS002701877; CHEMBL1728456; NSC 1012; BRN 0338153; 2-(((8-hydroxy-7-quinolinyl)(phenyl)methyl)amino)benzoic acid; 2-[[(8-Hydroxy-7-quinolinyl)(phenyl)methyl]amino]benzoic acid; NSC-1012; N-(alpha-(8-Hydroxy-7-quinolyl)benzyl)anthranilic acid; Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-; Oprea1_090425; Oprea1_292074; 4-22-00-06022 (Beilstein Handbook Reference); DTXSID40275932; Benzoic acid, 2-[[(8-hydroxy-7-quinolinyl)phenylmethyl]amino]-; BDBM50561143; WLN: T66 BNJ IYR&MR BVQ& JQ; NCI60_000034; SMR001565467; DS-010374; N-[.alpha.-(8-Hydroxy-7-quinolyl)benzyl]anthranilic acid; 2-(((8-Hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoic acid; 2-[[(8-hydroxyquinolin-7-yl)phenylmethyl]amino]benzoic acid; Anthranilic acid, N-[.alpha.-(8-hydroxy-7-quinolyl)benzyl]-; Benzoic acid, 2-[[ (8-hydroxy-7-quinolinyl)phenylmethyl]amino]-; Benzoic acid, 2-(((8-hydroxy-7-quinolinyl)phenylmethyl)amino)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1012	.	.	.	.	370.4	C23H18N2O3	82.4	522	5.1	28	3	5	5	"InChI=1S/C23H18N2O3/c26-22-18(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)25-19-11-5-4-10-17(19)23(27)28/h1-14,20,25-26H,(H,27,28)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4C(=O)O	NISNWVZYKYOKOX-UHFFFAOYSA-N
DG50743	Tryptazan	95318	"Tryptazan; 526-30-7; 3-Indazolealanine; 2-amino-3-(2H-indazol-3-yl)propanoic acid; NSC1460; 2-Amino-3-(3-indazolyl)propionic acid; 26988-90-9; 2-Amino-3-(1H-indazol-3-yl)propanoic acid; 3-Indazolealanine; DL-Tryptazan; NSC 1460; Tryptazan; NSC-1460; NSC 1460; 1H-Indazole-3-propanoic acid, alpha-amino-; INDAZOLE-3-ALANINE; 3-(1H-indazol-3-yl)alanine; 1H-Indazole-3-propanoic acid, alpha-amino-, (+-)-; SCHEMBL1519993; CHEMBL1988860; NCI60_000990; CS-0020629; 2-Amino-3-(1H-indazol-3-yl)-propionic acid; 1H-Indazole-3-propanoic acid, .alpha.-amino-; 1H-Indazole-3-propionic acid, .alpha.-amino-; 1H-Indazole-3-propanoic acid, alpha-amino- (9CI); 1H-Indazole-3-propionic acid, alpha-amino- (8CI); Q27273684; 2-Amino-3-(1H-indazol-3-yl)-propionic acid (2-Azatryptophans)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1460	.	.	.	.	205.21	C10H11N3O2	92	247	-1.7	15	3	4	3	"InChI=1S/C10H11N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h1-4,7H,5,11H2,(H,12,13)(H,14,15)"	C1=CC2=C(NN=C2C=C1)CC(C(=O)O)N	IFEKQNAXDMZERW-UHFFFAOYSA-N
DG50744	Ethylenimine quinone	95715	"Ethylenimine quinone; Quinone I; 2,5-Bisethyleneiminebenzoquinone; 2,5-Diaziridinyl-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-1,4-benzoquinone; 2,5-Bis(aziridino)benzoquinone; 526-62-5; 2,5-Bis(1-aziridinyl)-p-benzoquinone; 2,5-Bis(aziridino)-1,4-benzoquinone; 2,5-Bis-ethyleniminobenzoquinone; TW 13; 2,5-Bis(1-aziridynyl)benzoquinone; 3,6-diaziridinyl-1,4-benzoquinone; ENT 50702; MC 688; 2,5-Di(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione; 2,5-bis(aziridin-1-yl)-1,4-benzoquinone; Bayer G 4073; PBE; CHEBI:19363; NSC30706; 2,5-Bisaethyleniminobenzochinon-1,4; 2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione; 2,5,-bisethylene-imine-1,4-benzoquinone; 2,5,-bis(ethyleneimine)-1,4-benzoquinone; DZQ; Chinon I [German]; Bayer G4073; diethyleneiminebenzoquinone; Chinon I; PBE (VAN); 2,5-diaziridinylbenzoquinone; MC-688; NSC 30706; BRN 0169182; AI3-50702; 2,5-Bis-aethyleniminobenzochinon-1,4 [German]; 2,5-Bis-aethyleniminobenzochinon-1,4; Benzoquinone, 2,5-bis(1-aziridino)-; p-Benzoquinone, 2,5-bis(1-aziridinyl)-; Neuro_000016; 5-20-01-00070 (Beilstein Handbook Reference); CHEMBL72536; SCHEMBL1676679; DTXSID90200577; ZINC1661246; NSC-30706; p-Benzoquinone,5-bis(1-aziridinyl)-; AKOS006277036; 2,4-dione, 2,5-bis(1-aziridinyl)-; 2, 5-Bis(1-aziridinyl)-p-benzoquinone; 2,5-Di(1-aziridinyl)benzo-1,4-quinone; NCI60_002624; 2, 5-Di(ethyleneimino)-1,4-benzoquinone; 2, 5-Bis(ethyleneimino)-1,4-benzoquinone; 2,5-Bis(1-aziridinyl)-1, 4-benzoquinone; p-Benzoquinone, 2,5-bis(1-aziridinyl)- (8CI); Q27109175; 2, 5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30706	.	.	.	.	190.2	C10H10N2O2	40.2	349	0.2	14	0	4	2	"InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2"	C1CN1C2=CC(=O)C(=CC2=O)N3CC3	RCWJMKCTHJPXJV-UHFFFAOYSA-N
DG50745	3-Ethylcholanthrene	95723	"3-Ethylcholanthrene; Cholanthrene, 3-ethyl-; 20-Ethylcholanthrene; UNII-P7C4QWA29J; P7C4QWA29J; 7511-54-8; NSC 30979; BRN 3342977; NSC30979; 3-Ethyl-cholanthrene; DTXSID40226080; ZINC1661477; NSC-30979; WLN: L E6 D6656 1A T&&&T&J R2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30979	.	.	.	.	282.4	C22H18	0	412	6.9	22	0	0	1	"InChI=1S/C22H18/c1-2-14-7-8-16-13-21-17-6-4-3-5-15(17)9-10-19(21)20-12-11-18(14)22(16)20/h3-10,13H,2,11-12H2,1H3"	CCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1	NZZUNDKOLHKMCK-UHFFFAOYSA-N
DG50746	Tetraethyleniminobenzo-quinone	95735	"Tetraethyleniminobenzo-quinone; 4239-06-9; 2,3,5,6-tetrakis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione; TEB; Tetraethylenimino-1,4-benzoquinone; 2,3,5,6-Tetraethyleneimino-1,4-benzoquinone; p-Benzoquinone, tetrakis(1-aziridinyl)-; 2,3,5,6-Tetraethylenimino-1,4-benzoquinone; 2,3,5,6-Tetrakis(1-aziridinyl)-p-benzoquinone; NSC 31717; Tetraethyleniminobenzoquinone; 2,3,5,6-Tetra-ethyleneimino-1,4-benzoquinone; 2,3,5,6-Tetrakis(1-aziridinyl)-1,4-benzoquinone; 1,4-Benzoquinone, 2,3,5,6-tetrakis(1-aziridinyl)-; CHEMBL121205; DTXSID30195195; 2,3,5,6-Tetrakis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione; NSC31717; Tetraethyleneimino-1,4-benzoquinone; NSC-31717; ZINC49877717; 2,4-dione, 2,3,5,6-tetrakis(1-aziridinyl)-; 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrakis(1-aziridinyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31717	.	.	.	.	272.3	C14H16N4O2	46.2	503	0.8	20	0	6	4	InChI=1S/C14H16N4O2/c19-13-9(15-1-2-15)10(16-3-4-16)14(20)12(18-7-8-18)11(13)17-5-6-17/h1-8H2	C1CN1C2=C(C(=O)C(=C(C2=O)N3CC3)N4CC4)N5CC5	GNSPPAGSLFPHSZ-UHFFFAOYSA-N
DG50747	"2,7-Dinitro-9,10-phenanthrenedione"	95759	"2,7-Dinitro-9,10-phenanthrenedione; 604-94-4; 2,7-dinitrophenanthrene-9,10-dione; 2,7-Dinitrophenanthraquinone; CHEMBL300680; 9,10-Phenanthrenedione, 2,7-dinitro- (9CI); 2,7-Dinitro-phenanthrene-9,10-dione; 2,7-Dinitrophenanthrenequinone; BRN 2005178; Phenanthrenequinone, 2,7-dinitro-; NSC33530; Neuro_000017; 4-07-00-02569 (Beilstein Handbook Reference); SCHEMBL2599382; DTXSID30209160; ZINC1665750; BDBM50099776; NSC 33530; NSC-33530; 2,7-dinitro-9,10-phenanthrenequinone; AS-76902; NCI60_002935; D93539; AB00086616-01; SR-01000210537; SR-01000210537-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33530	.	.	.	.	298.21	C14H6N2O6	126	488	2.2	22	0	6	0	InChI=1S/C14H6N2O6/c17-13-11-5-7(15(19)20)1-3-9(11)10-4-2-8(16(21)22)6-12(10)14(13)18/h1-6H	C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]	NLYJKDKBQGPHLE-UHFFFAOYSA-N
DG50748	"1,3-Bis(3,4-dichlorophenyl)urea"	95783	"1,3-bis(3,4-dichlorophenyl)urea; 4300-43-0; 3,3',4,4'-Tetrachlorocarbanilide; MMV665852; 1,3-Bis-(3,4-dichlorophenyl)urea; UNII-W5A83C0L6P; n,n'-bis(3,4-dichlorophenyl)urea; CHEMBL10835; W5A83C0L6P; GNF-PF-2903; N,N'-Bis-(3,4-dichlorophenyl)urea; NSC 70259; NSC 35217; Urea, N,N'-bis(3,4-dichlorophenyl)-; Urea-based compound, 10; SCHEMBL2683478; Triclocarban Related Compound C; BDBM25729; DTXSID20195624; ZINC582127; NSC35217; NSC70259; N,N'-(Di-3,4-dichlorophenyl)urea; MFCD00171464; NSC-35217; NSC-70259; NSC766782; AKOS001041856; N,N'-bis-(3,4-dichlorophenyl)-urea; CCG-274085; MCULE-1409265751; MMV 665852; MMV-665852; MS-8792; NSC-766782; 1,3-Bis-(3,4-dichloro-phenyl)-urea; UPCMLD0ENAT5267060:001; CS-0083888; D83131; US8815951, 299; Q27292329"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766782	.	.	.	.	350	C13H8Cl4N2O	41.1	314	6	20	2	1	2	"InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)"	C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl	ZDPIZPXVHVYTOK-UHFFFAOYSA-N
DG50749	N(6)-(2-Carboxyethyl)adenine	95806	"73094-99-2; N(6)-(2-Carboxyethyl)adenine; 3-(7H-purin-6-ylamino)propanoic acid; 3-(9H-Purin-6-ylamino)-propionic acid; 3-((9H-Purin-6-yl)amino)propanoic acid; UNII-PG9A8I4S8I; PG9A8I4S8I; NSC37388; NSC-37388; 3-(9H-Purin-6-ylamino)propionic acid; N-9H-purin-6-yl-beta-alanine; 3-[(9H-purin-6-yl)amino]propanoic acid; NCIStruc1_000604; N-1H-Purin-6-yl-beta-alanine; b-Alanine, N-9H-purin-6-yl-; NSC 37388; 3-(9H-purin-6-ylamino)propanoic acid; NCIStruc2_000498; Oprea1_424917; CBDivE_014975; n6-(2-carboxyethyl) adenine; CHEMBL278374; N-(9H-purin-6-yl)--alanine; SCHEMBL17234487; DTXSID30223361; beta-Alanine, N-1H-purin-6-yl-; beta-Alanine, N-9H-purin-6-yl-; NCI37388; ZINC1297827; BBL028876; CCG-37928; NCGC00013437; STL373148; AKOS000194330; AKOS000301779; MCULE-7324703760; NCGC00013437-02; NCGC00096552-01; 3-((3H-purin-6-yl)amino)propanoic acid; NCI60_003501; VS-09007; CS-0319483"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37388	.	.	.	.	207.19	C8H9N5O2	104	237	0.6	15	3	6	4	"InChI=1S/C8H9N5O2/c14-5(15)1-2-9-7-6-8(11-3-10-6)13-4-12-7/h3-4H,1-2H2,(H,14,15)(H2,9,10,11,12,13)"	C1=NC2=C(N1)C(=NC=N2)NCCC(=O)O	ALBHTZMRHDQGAA-UHFFFAOYSA-N
DG50750	"9(2H)-Acridinone, 1,3,4,10-tetrahydro-"	95996	"13161-85-8; 9(2H)-Acridinone, 1,3,4,10-tetrahydro-; 1,2,3,4-Tetrahydro-9-acridanone; 1,3,4,10-tetrahydroacridin-9(2H)-one; 1,3,4,10-Tetrahydro-9(2H)-acridinone; 2,3,4,10-tetrahydro-1H-acridin-9-one; 1,2,3,4-Tetrahydro-9(10H)-acridone; UNII-AFR4CG6V1E; AFR4CG6V1E; 1,2,3,4,9,10-Hexahydroacridin-9-one; 1,2,3,4-Tetrahydroacridin-9(10H)-one; GNF-Pf-3796; 1,2,3,4-tetrahydroacridin-9-ol; 56717-04-5; Tetrahydroacridon; NSC46875; NSC 46875; 5,6,7,8,10-pentahydroacridin-9-one; Oprea1_374298; Oprea1_558258; MLS000551004; 1,2,3,4-Tetrahydroacridone; CHEMBL602366; SCHEMBL1383033; DTXSID80157142; CHEBI:170033; HMS1611L01; HMS1662F16; HMS2153K08; HMS3325P06; 1,2,3,4-tetrahydro-9-acridinol; ZINC8579105; 1,2,3,4-Tetrahydro-acridin-9-ol; BBL018863; MFCD00010589; MMV665843; NSC-46875; NSC766649; STK329363; STL195396; AKOS000277417; AKOS003237417; MCULE-6355371150; NSC-766649; NCGC00246265-01; SMR000145132; VS-06805; 1,2,3,4-Tetrahydro-9-acridanone, 97%; 1,2,3,4-tetrahydroacridin-9-(10H)-one; DB-042046; CS-0329037; FT-0636820; 1,3,4,10-Tetrahydro-9(2H)-acridinone #; AB00461440-08; AG-205/04782053; SR-01000466281; J-006029; SR-01000466281-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	766649	.	.	.	.	199.25	C13H13NO	29.1	319	2.8	15	1	2	0	"InChI=1S/C13H13NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H,14,15)"	C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2	CVEXTAUZJWYDJX-UHFFFAOYSA-N
DG50751	"1,2-Benzothiazolin-3-one, 6-methyl-"	96023	"1,2-Benzothiazolin-3-one, 6-methyl-; 4337-47-7; 6-Methyl-1,2-benzisothiazolone; NSC 48653; 6-Methyl-1,2-benzisothiazolin-3-one; BRN 0637993; 6-methyl-1,2-benzothiazol-3-one; NSC48653; 1,2-Benzisothiazol-3(2H)-one, 6-methyl-; CHEMBL2004221; SCHEMBL11737600; DTXSID50195834; ZINC1680931; NSC-48653; NCI60_004158"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48653	.	.	.	.	165.21	C8H7NOS	54.4	183	1.6	11	1	2	0	"InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10)"	CC1=CC2=C(C=C1)C(=O)NS2	MKOBQYYGSDGUMU-UHFFFAOYSA-N
DG50752	5-Iodo-8-quinolinol	96111	"5-iodoquinolin-8-ol; 5-Iodo-8-quinolinol; 13207-63-1; 8-Quinolinol, 5-iodo-; 8-Hydroxy-5-iodoquinoline; NSC53183; NSC-53183; NSC 53183; 5-iodo-8-hydroxyquinoline; NCIOpen2_009024; SCHEMBL113423; CHEMBL1973599; DTXSID80157344; TQR0346; ZINC1684366; 5927AA; AKOS016010704; SB68985; DA-12328; NCI60_004307; FT-0705548"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53183	.	.	.	.	271.05	C9H6INO	33.1	165	2.7	12	1	2	0	"InChI=1S/C9H6INO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H"	C1=CC2=C(C=CC(=C2N=C1)O)I	SUQZNPQQZDQDPJ-UHFFFAOYSA-N
DG50753	"Thiocyanic acid, 1H-purin-6-yl ester"	96185	"19447-73-5; UNII-KXA182VHR5; KXA182VHR5; Thiocyanic acid, 1H-purin-6-yl ester (9CI); Thiocyanic acid, 1H-purin-6-yl ester; NSC 58385; 6-Thiocyanatopurine; Thiocyanic acid, 9H-purin-6-yl ester; 6-Thiocyanato-9H-purine; SCHEMBL2888365; DTXSID70173078; NSC58385; NSC-58385"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58385	.	.	.	.	177.19	C6H3N5S	104	211	1.2	12	1	5	1	"InChI=1S/C6H3N5S/c7-1-12-6-4-5(9-2-8-4)10-3-11-6/h2-3H,(H,8,9,10,11)"	C1=NC2=C(N1)C(=NC=N2)SC#N	GBTKKUANKIRQOM-UHFFFAOYSA-N
DG50754	"2-Methylthio-1,4-naphthoquinone"	96324	"2-Methylthio-1,4-naphthoquinone; 26037-60-5; 2-methylsulfanylnaphthalene-1,4-dione; 1,4-Naphthalenedione, 2-(methylthio)-; CHEMBL2335531; 1,4-Naphthoquinone, 2-(methylthio)-; NSC67209; NSC 67209; 1, 2-(methylthio)-; NCIOpen2_003036; SCHEMBL357220; DTXSID60876662; 2-(Methylsulfanyl)naphthoquinone #; ZINC1694282; 2-(Methylthio)-1,4-naphthoquinone; BDBM50430489; 1,4-Naphthalenedione,2-(methylthio)-; DS-008446; 1,4-Naphthoquinone, 2-(methylthio)- (8CI); 1,4-Naphthalenedione, 2-(methylthio)- (9CI); 2-(methylsulfanyl)-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67209	.	.	.	.	204.25	C11H8O2S	59.4	306	2	14	0	3	1	"InChI=1S/C11H8O2S/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3"	CSC1=CC(=O)C2=CC=CC=C2C1=O	GGFFBRRZAKLGFX-UHFFFAOYSA-N
DG50755	"Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1)"	96355	"1566-15-0; OMF 59; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1); NSC-69945; Phosphoramide mustard cyclohexylamine salt; NSC69945; UNII-6ZG9FPH7YK; 6ZG9FPH7YK; amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine; Phosphoramide mustard (cyclohexanamine); N,N-bis(2-chloroethyl)phosphorodiamidic acid compound with cyclohexanamine (1:1); 5776-49-8; NSC 69945; Phosphoramide mustard cyclohexamine salt; AI3-51834; AI 3-51834; SCHEMBL9452793; CHEMBL1159898; DTXSID20935481; Phosphoramide mustard cyclohexamine; NCI69945; CCG-36813; N,N-Bis(2-chloroethyl)phosphorodiamidic acid, cyclohexylammonium salt; NCGC00013782; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, cyclohexylamine salt; AKOS030241909; HY-137316A; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexanamine(1:1) (9CI); Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compd. with cyclohexylamine (1:1); NCGC00013782-02; NCGC00096892-01; NCI60_035620; CS-0137705; PHOSPHORAMIDE MUSTARD CYCLOHEXYLAMMONIUM; PHOSPHORAMIDE MUSTARD CYCLOHEXYL-AMINE SALT; Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate; N,N-Bis(2-chloroethyl)phosphorodiamidic acid--cyclohexanamine (1/1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, cyclohexylamine salt; Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexylamine; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, compound with cyclohexanamine (1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexanamine (1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexanamine(1:1); Phosphorodiamidic acid,N-bis(2-chloroethyl)-, compd. with cyclohexylamine(1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69945	.	.	.	.	320.19	C10H24Cl2N3O2P	92.6	197	.	18	3	5	5	"InChI=1S/C6H13N.C4H11Cl2N2O2P/c7-6-4-2-1-3-5-6;5-1-3-8(4-2-6)11(7,9)10/h6H,1-5,7H2;1-4H2,(H3,7,9,10)"	C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O	BGTIPRUDEMNRIP-UHFFFAOYSA-N
DG50756	"Acetic acid, (1,3,2-dithiarsolan-2-ylthio)-"	96378	"NSC71381; Acetic acid, (1,3,2-dithiarsolan-2-ylthio)-; 7749-05-5; Acetic acid, (dihydro-1,3,2-dithiarsenol-2-ylmercapto)-; (1,3,2-Dithiarsolan-2-ylthio)acetic acid; NSC 71381; BRN 1708636; NCIOpen2_004602; 2-(1,3,2-dithiarsolan-2-ylsulfanyl)acetic acid; CHEMBL2003504; DTXSID30228194; 2-(Carboxymethylmercapto)-4,5-dihydro-1,3,2-dithiarsenole; NSC-71381; NCI60_039587; Acetic acid,3,2-dithiarsolan-2-ylthio)-; Acetic acid,3,2-dithiarsenol-2-ylmercapto)-; (1,2-DITHIARSOLAN-2-YLTHIO)ACETIC ACID; 3-03-00-00425 (Beilstein Handbook Reference)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71381	.	.	.	.	258.2	C4H7AsO2S3	113	126	.	10	1	5	3	"InChI=1S/C4H7AsO2S3/c6-4(7)3-10-5-8-1-2-9-5/h1-3H2,(H,6,7)"	C1CS[As](S1)SCC(=O)O	STKFUOAEOBBGGH-UHFFFAOYSA-N
DG50757	"2,4-Dichloro-3,5-dinitrobenzamide"	96425	"2,4-DICHLORO-3,5-DINITROBENZAMIDE; 13550-88-4; Benzamide, 2,4-dichloro-3,5-dinitro-; NSC73705; NSC 73705; SCHEMBL8066780; DTXSID90159430; ZINC1699266; NSC-73705; 2,-4-dichloro-3,5-dinitrobenzamide; AKOS022180882; DB-042293; FT-0636917; A806944"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73705	.	.	.	.	280.02	C7H3Cl2N3O5	135	354	1.7	17	1	5	1	"InChI=1S/C7H3Cl2N3O5/c8-4-2(7(10)13)1-3(11(14)15)5(9)6(4)12(16)17/h1H,(H2,10,13)"	C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)N	UBMOQSTZFCSCEV-UHFFFAOYSA-N
DG50758	"9H-Purine, 9-butyl-6-(methylthio)-"	96530	"9H-Purine, 9-butyl-6-(methylthio)-; 9-Butyl-6-(methylthio)-9H-purine; 15923-48-5; NSC78508; 9-butyl-6-methylsulfanylpurine; UNII-NJ6Q5DH6KR; NJ6Q5DH6KR; 9-butyl-6-methylsulfanyl-9H-purine; NSC-78508; NSC 78508; BRN 2978802; 5-26-12-00411 (Beilstein Handbook Reference); CHEMBL1364705; DTXSID20166617; NCI78508; ZINC1718869; 9-(n-butyl)-6-methylmercaptopurine; CCG-38303; NCGC00013843; 9-butyl-9H-purin-6-yl methyl sulfide; NCGC00013843-02; NCGC00096953-01; NCI60_041732; WLN: T56 BN DN FN HNJ D4 IS1; DS-009449; 9H-PURINE,9-BUTYL-6-(METHYLTHIO)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78508	.	.	.	.	222.31	C10H14N4S	68.9	202	2.4	15	0	4	4	"InChI=1S/C10H14N4S/c1-3-4-5-14-7-13-8-9(14)11-6-12-10(8)15-2/h6-7H,3-5H2,1-2H3"	CCCCN1C=NC2=C1N=CN=C2SC	OHHJPJULCIJFST-UHFFFAOYSA-N
DG50759	Gardenin B	96539	"Gardenin B; 2798-20-1; Demethyltangeretin; 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one; UNII-313E89KN5E; 5-Hydroxy-4',6,7,8-tetramethoxyflavone; CHEBI:79628; MLS002701917; 313E89KN5E; NSC79093; 5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 5-demethyltangeretin; NSC 79093; 5-Desmethyltangeretin; 5-O-Demethyltangeretin; Demethyltangeretin/Gardenin B; SPECTRUM1505031; Flavone,6,7,8-tetramethoxy-; CHEMBL226512; SCHEMBL1764516; DTXSID10182260; HMS1923M21; BCP33595; HY-N6037; ZINC1723552; 8133AH; BDBM50060925; LMPK12111451; NSC618926; AKOS032962784; 5-Hydroxy-4',7,8-tetramethoxyflavone; 5-Hydroxy-6,8,4'-tetramethoxyflavone; CCG-214611; NSC-618926; 5-Hydroxy-4'6,7,8-tetramethoxyflavone; NCGC00095006-01; 5-Hydroxy-6,7,8,4'-tetramethoxyflavone; NCI60_041745; SMR001565501; XG161759; DS-015067; CS-0032215; Q-100922; Q27148750; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(4-methoxyphenyl)-; 5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-; 4H-1-benzopyran-4-one,5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79093	.	.	.	.	358.3	C19H18O7	83.4	526	3.3	26	1	7	5	"InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3"	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	LXEVSYZNYDZSOB-UHFFFAOYSA-N
DG50760	3-Thianaphthenoyltrifluoroacetone	96570	"392-29-0; 3-Thianaphthenoyltrifluoroacetone; NSC80396; NSC-80396; 1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione; 1-(Benzothiophen-3-yl)-4,4,4-trifluoro-butane-1,3-dione; 4,4,4-TRIFLUORO-1-(BENZO-[B]-THIOPHEN-3-YL)BUTANE-1,3-DIONE; 1-(3-benzo{b}thienyl)-4,4,4-trifluoro-1,3-butanedione; 1-Benzo(b)thien-3-yl-4,4,4-trifluoro-1,3-butanedione; NSC 80396; NCIMech_000363; NCIOpen2_004410; CHEMBL2005054; DTXSID30192442; CCG-35529; AKOS017344656; ZINC100473617; NCI60_041766; 1, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-; 3-(4,4,4-trifluoro-1,3-dioxobutyl)benzothiophene; 1,3-Butanedione, 1-benzo(b)thien-3-yl-4,4,4-trifluoro-; 1-(1-benzothien-3-yl)-4,4,4-trifluoro-1,3-butanedione; 1-(Benzo[b]thiophen-3-yl)-4,4,4-trifluorobutane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80396	.	.	.	.	272.24	C12H7F3O2S	62.4	354	3.7	18	0	6	3	"InChI=1S/C12H7F3O2S/c13-12(14,15)11(17)5-9(16)8-6-18-10-4-2-1-3-7(8)10/h1-4,6H,5H2"	C1=CC=C2C(=C1)C(=CS2)C(=O)CC(=O)C(F)(F)F	NFWFGKBSGANQQK-UHFFFAOYSA-N
DG50761	"1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-"	96625	"13022-80-5; NSC82339; 8-pyridin-4-yl-1,5-diazabicyclo[3.2.1]octane; 1,5-Diazabicyclo(3.2.1)octane, 8-(4-pyridyl)-; 8-(4-pyridyl)-1,5-diazabicyclo[3.2.1]octane; MLS000737101; 4-(1,5-Diazabicyclo(3.2.1)oct-8-yl)pyridine; 8-(4-Pyridinyl)-1,5-diazabicyclo[3.2.1]octane; NSC-82339; 4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine; NSC 82339; BRN 0611005; NCIStruc1_000059; NCIStruc2_000047; 1, 8-(4-pyridyl)-; 5-26-02-00076 (Beilstein Handbook Reference); CHEMBL1528915; SCHEMBL11294576; 4-(1,5-DIAZABICYCLO(3.2.1)OCT-8-YL)-PYRIDINE; DTXSID20156417; HMS2884A22; NCI82339; CCG-36323; NCGC00013864; ZINC19322683; AKOS024332369; MCULE-9868015410; NCGC00013864-02; NCGC00096974-01; WLN: T56 A BN ENTJ A- DT6NJ; NCI60_041811; SMR000528372; {4-(1,5-Diazabicyclo[3.2.1]oct-8-yl)pyridine}; {1,5-Diazabicyclo[3.2.1]octane,} 8-(4-pyridyl)-; (1beta,5beta,8-anti)-8-(4-Pyridyl)-1,5-diazabicyclo[3.2.1]octane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82339	.	.	.	.	189.26	C11H15N3	19.4	189	0.8	14	0	3	1	"InChI=1S/C11H15N3/c1-6-13-8-9-14(7-1)11(13)10-2-4-12-5-3-10/h2-5,11H,1,6-9H2"	C1CN2CCN(C1)C2C3=CC=NC=C3	JIKHJTHQLORZIX-UHFFFAOYSA-N
DG50762	"3,6-Bis(morpholinomethyl)pyrocatechol"	96672	"25163-62-6; 3,6-Bis(morpholinomethyl)pyrocatechol; NSC85459; Pyrocatechol, 3,6-bis(morpholinomethyl)-; 3,6-bis(morpholin-4-ylmethyl)benzene-1,2-diol; 1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)-; 3,6-bis(morpholinomethyl)benzene-1,2-diol; MLS002694633; NSC-85459; NSC 85459; BRN 0284535; ChemDiv3_014416; NCIStruc1_001538; NCIStruc2_001370; 4-27-00-00473 (Beilstein Handbook Reference); CHEMBL1449373; SCHEMBL10005451; DTXSID90179835; 3,6-Bis(morpholinomethyl)catechol; HMS1513P06; HMS3080L14; NCI85459; 1, 3,6-bis(4-morpholinylmethyl)-; BBL036078; CCG-36529; NCGC00013896; STK224837; ZINC19914059; Pyrocatechol,6-bis(morpholinomethyl)-; AKOS001718685; MCULE-4171413401; IDI1_030214; NCGC00013896-02; NCGC00097005-01; NCI60_041886; SMR001560558; CS-0359694; 3,6-bis(4-morpholinylmethyl)-1,2-benzenediol; SR-01000148119; WLN: T6N DOTJ A1R BQ CQ D1- AT6N DOTJ; SR-01000148119-1; 1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85459	.	.	.	.	308.37	C16H24N2O4	65.4	300	0.1	22	2	6	4	"InChI=1S/C16H24N2O4/c19-15-13(11-17-3-7-21-8-4-17)1-2-14(16(15)20)12-18-5-9-22-10-6-18/h1-2,19-20H,3-12H2"	C1COCCN1CC2=C(C(=C(C=C2)CN3CCOCC3)O)O	GXFKEXJQUZXFOS-UHFFFAOYSA-N
DG50763	Aristololactam	96710	"Aristololactam; Aristolactam I; 13395-02-3; Aristololactam I; Aristolactam; Aristololactum; Aristololactam; Aristolactam; CHEMBL479127; 14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one; Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-; Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 8-methoxy-; NSC 87406; CCRIS 1545; BRN 0307971; Aristolactam-I; 4-27-00-06628 (Beilstein Handbook Reference); DTXSID60158430; HY-N2013; NSC87406; ZINC1562070; BDBM50306869; MFCD00797313; NSC-87406; AKOS028111118; AC-34507; CS-0018333; FT-0697578; X1088; Q-100130; 8-methoxy-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]benzo[f]indol-5(6H)-one; 8-Methoxy-6H-benzo[f][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-cd]indol-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87406	.	.	.	.	293.27	C17H11NO4	56.8	483	3.1	22	1	4	1	"InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)"	COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5	MXOKGWUJNGEKBH-UHFFFAOYSA-N
DG50764	N-(4-Iodophenyl)maleimide	96758	"1-(4-iodophenyl)-1H-pyrrole-2,5-dione; 65833-01-4; N-(4-Iodophenyl)maleimide; 1-(4-iodophenyl)pyrrole-2,5-dione; 1-(4-iodophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1-(4-Iodophenyl)maleimide; CHEMBL579183; NSC-88871; NSC88871; p-iodo-N-phenylmaleimide; 1H-Pyrrole-2,5-dione,1-(4-iodophenyl)-; Maleimide, N-p-iodophenyl-; SCHEMBL9132838; ZINC14362; DTXSID80216021; JS-053C; 7545AE; BDBM50300338; MFCD00022575; NSC 88871; STK247059; AKOS000116713; MCULE-7661020690; NCI60_041969; DB-054846; CS-0219400; FT-0641035; 1H-Pyrrole-2,5-dione, 1-(4-iodophenyl)-; SR-01000324022; J-503327; SR-01000324022-1; Z56755403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88871	.	.	.	.	299.06	C10H6INO2	37.4	275	1.7	14	0	2	1	InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H	C1=CC(=CC=C1N2C(=O)C=CC2=O)I	GIXQASIEVHMYQH-UHFFFAOYSA-N
DG50765	"Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)"	96765	"21209-03-0; Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester); NSC89074; NSC 89074; S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate; CHEMBL2006037; DTXSID70175436; 2-((5-Cyclohexylpentyl)amino)ethanethiol hydrogen sulfate (ester); NSC-89074; ZINC31342852; NCI60_041978; 2-(5-Cyclohexylpentyl)aminoethanethiol sulfate; Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)amino]ethyl] ester; Thiosulfuric acid (H2S2O3), -(2-((5-cyclohexylpentyl)amino)ethyl) ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89074	.	.	.	.	309.5	C13H27NO3S2	100	308	1.4	19	2	5	10	"InChI=1S/C13H27NO3S2/c15-19(16,17)18-12-11-14-10-6-2-5-9-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,15,16,17)"	C1CCC(CC1)CCCCCNCCSS(=O)(=O)O	DKHIPBODAIIIGZ-UHFFFAOYSA-N
DG50766	3(2H)-Isothiazolone	96917	"1003-07-2; Isothiazol-3(2H)-one; 3(2H)-Isothiazolone; 3-Isothiazolone; Isothiazol-3-one; isothiazol-3-ol; 1,2-thiazol-3-one; 3-Hydroxyisothiazole; THIAZOL-3-ONE; 1,2-thiazol-3-ol; UNII-E57JT172V7; E57JT172V7; 2,3-dihydro-1,2-thiazol-3-one; NSC93489; MFCD09834764; 3-Oxo-2,3-dihydroisothiazole; 1,2-Thiazol-3(2H)-one; NSC 93489; Isothiazol-3(2H);-one; NCIOpen2_001597; SCHEMBL19431; isothiazol-3-ol, AldrichCPR; CHEMBL1974422; DTXSID9074935; ZINC1604240; NSC-93489; AKOS006345440; AKOS024046921; AT11769; PS-9316; AC-25099; BL007960; NCI60_042085; SY045488; DB-014833; 3(2H)-Isothiazolone;Isothiazol-3(2H)-one; CS-0005502; FT-0742113; Z3786; 003I072; 858I671; A850091; Q409007; F2167-8909; Z1741980421; 3-(2-chlorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93489	.	.	.	.	101.13	C3H3NOS	54.4	99	-0.1	6	1	2	0	"InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)"	C1=CSNC1=O	MGIYRDNGCNKGJU-UHFFFAOYSA-N
DG50767	"3-Hydroxy-3',4',5,7-tetramethoxyflavone"	97142	"1244-78-6; 3-Hydroxy-3',4',5,7-tetramethoxyflavone; Quercetin 5,7,3',4'-tetramethyl ether; 5-hydroxy-7,3',4',5'-tetramethoxyflavone; UNII-UUX3TU2JXT; UUX3TU2JXT; NSC102049; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxychromen-4-one; CHEBI:85124; 3',4',5,7-Tetramethylquercetin; QUERCETIN TETRAMETHYL (5,7,3',4') ETHER; NSC-102049; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one; Averionol; NSC 102049; Spectrum_000784; 3-Hydroxy-3,4, 5,7-tetramethoxyflavone; SpecPlus_000312; Spectrum2_000711; Spectrum3_001253; Spectrum4_001473; Spectrum5_000145; BSPBio_002786; KBioGR_002045; KBioSS_001264; SPECTRUM300538; CHEMBL74675; DivK1c_006408; SPBio_000921; SCHEMBL3135319; Flavone,4',5,7-tetramethoxy-; KBio1_001352; KBio2_001264; KBio2_003832; KBio2_006400; KBio3_002286; DTXSID40154319; ZINC1674568; CCG-38364; LMPK12112771; AKOS005145745; 3-Hydroxy-3',5,7-tetramethoxyflavone; SDCCGMLS-0066515.P001; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy- (9CI); NCGC00095598-01; NCGC00095598-02; NCGC00178472-01; NCI60_000056; 3-hydroxy-5,7,3',4'-tetramethoxyflavone; Quercetin tetramethyl(3',4',5,7) ether; DS-015043; 3-Hydroxy-3',4', 5,7-tetramethoxyflavone; A805642; SR-05000002615; SR-05000002615-1; BRD-K08825053-001-02-9; Flavone, 3-hydroxy-3',4',5,7-tetramethoxy- (8CI); Q27158341; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-oxidanyl-chromen-4-one; 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-1-benzopyran-4-one; 4H-1-benzopyran-4-one,2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-; 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-3-hydroxy-5,7-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102049	.	.	.	.	358.3	C19H18O7	83.4	546	2.9	26	1	7	5	"InChI=1S/C19H18O7/c1-22-11-8-14(25-4)16-15(9-11)26-19(18(21)17(16)20)10-5-6-12(23-2)13(7-10)24-3/h5-9,21H,1-4H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC	AAASNKNLMQBKFV-UHFFFAOYSA-N
DG50768	"3-Hydroxy-3',4'-dimethoxyflavone"	97143	"6889-80-1; 3-HYDROXY-3',4'-DIMETHOXYFLAVONE; 3',4'-dimethoxyflavonol; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3-hydroxychromen-4-one; UNII-9B35R9JIHA; NSC 102051; NSC102051; 9B35R9JIHA; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-hydroxy-; 3',4'-Dimethoxy-3-hydroxyflavone; NSC-102051; Spectrum2_001702; Spectrum3_001681; BSPBio_003202; CHEMBL77098; SPECTRUM1505278; SPBio_001684; SCHEMBL4285872; KBio3_002422; ZINC39299; DTXSID20218968; CCG-38784; STK183045; AKOS002317497; MCULE-1160192481; SDCCGMLS-0066918.P001; NCGC00095705-01; NCGC00095705-02; AC-28397; BS-51869; DA-28520; NCI60_000057; CS-0092577; FT-0707161; E74020; 2-(3,4-dimethoxyphenyl)-3-hydroxy-chromen-4-one; SR-05000002552; SR-05000002552-1; 3-hydroxy-2-(3,4-dimethoxyphenyl)-4h-chromen-4-one; BRD-K92171060-001-03-4; Q27272303; 2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102051	.	.	.	.	298.29	C17H14O5	65	458	3.3	22	1	5	3	"InChI=1S/C17H14O5/c1-20-13-8-7-10(9-14(13)21-2)17-16(19)15(18)11-5-3-4-6-12(11)22-17/h3-9,19H,1-2H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)OC	BXLAVJWSFYZDPF-UHFFFAOYSA-N
DG50769	Dimethylaminoethanethiol S-sulfate	97248	"Dimethylaminoethanethiol S-sulfate; 14013-30-0; NSC108225; CHEBI:53208; S-2-(dimethylamino)ethyl thiosulfate; S-[2-(dimethylamino)ethyl] hydrogen thiosulfate; Thiosulfuric acid (H2S2O3), S-(2-(dimethylamino)ethyl) ester (7CI,8CI,9CI); NSC-108225; S-[2-(dimethylamino)ethyl] hydrogen sulfurothioate; S-(2-(dimethylamino)ethyl) hydrogen thiosulfate; NSC 108225; BRN 1767088; Thiosulfuric acid, S-(2-(Dimethylamino)ethyl) ester; Epitope ID:167836; NCIStruc1_000259; NCIStruc2_000058; CHEMBL1742201; SCHEMBL14058822; DTXSID70161238; CCG-38017; NCGC00014090; NCI108225; ZINC31342933; NCGC00014090-02; NCGC00097199-01; NCI60_000195; thiosulfuric acid S-(2-dimethylamino-ethyl ester); Q27124021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108225	.	.	.	.	185.3	C4H11NO3S2	91.3	169	-2.7	10	1	5	4	"InChI=1S/C4H11NO3S2/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H,6,7,8)"	CN(C)CCSS(=O)(=O)O	RRJZGRCYRQRMEO-UHFFFAOYSA-N
DG50770	10-Methoxycamptothecin	97283	"10-Methoxycamptothecin; 19685-10-0; Methoxycamptothecin; Camptothecin, methoxy-; (19S)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 10-Methoxycamptothecine; NSC111533; NSC 111533; (S)-10-Methoxycamptothecin; CHEMBL75854; SCHEMBL1035263; DTXSID60941445; 4-Ethyl-4-hydroxy-9-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; HY-N0446; ZINC4823972; Camptothecine, 10-methoxy- (8CI); 7992AH; AKOS030573697; (S)-10-methoxycamptothecin AldrichCPR; NSC-111533; (S)-10-methoxycamptothecin, AldrichCPR; NCI60_000257; CS-0008979; A14767; Q-100242; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)- (9CI); 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-9-methoxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111533	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)O	KLFJSYOEEYWQMR-NRFANRHFSA-N
DG50771	S-Hexadecyl methanethiosulfonate	97458	"S-Hexadecyl methanethiosulfonate; 7559-47-9; 1-methylsulfonylsulfanylhexadecane; Methanesulfonic acid, thio-, S-hexadecyl ester; NSC124764; NSC 124764; BRN 1912441; SCHEMBL5464692; CHEMBL1970837; DTXSID20997024; ZINC72399913; Methanesulfonic acid, S-hexadecyl ester; NSC-124764; Methanethiosulfonic acid S-hexadecyl ester; NCI60_000577; FT-0669164"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124764	.	.	.	.	336.6	C17H36O2S2	67.8	294	7.8	21	0	3	16	"InChI=1S/C17H36O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(2,18)19/h3-17H2,1-2H3"	CCCCCCCCCCCCCCCCSS(=O)(=O)C	GIJWOCGDZZKJAD-UHFFFAOYSA-N
DG50772	S-Decyl p-toluenethiosulfonate	97461	"S-Decyl p-toluenethiosulfonate; p-Toluenesulfonic acid, thio-, S-decyl ester; 28519-33-7; NSC124770; S-Decyl 4-methylbenzenesulfonothioate; NSC 124770; BRN 2700606; Benzenesulfonothioic acid, 4-methyl-, S-decyl ester; CHEMBL2007493; DTXSID40182738; p-Toluenesulfonic acid, S-decyl ester; NSC-124770; 1-decylsulfanylsulfonyl-4-methyl-benzene; Benzenesulfonothioic acid, S-decyl ester; NCI60_000578; 4-Methylbenzenesulfonothioic acid S-decyl ester; Benzenesulfonothioic acid, 4-methyl-, S-decyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124770	.	.	.	.	328.5	C17H28O2S2	67.8	338	6.5	21	0	3	11	"InChI=1S/C17H28O2S2/c1-3-4-5-6-7-8-9-10-15-20-21(18,19)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3"	CCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C	BJWRHSVAOWXOSZ-UHFFFAOYSA-N
DG50773	tetra-O-methyl nordihydroguaiaretic acid	97616	"Tmndga; 5701-82-6; tetra-O-methyl nordihydroguaiaretic acid; Tetramethoxynordihydroguaiaretic acid; EM-1421; 1,1'-(2,3-Dimethyl-1,4-butanediyl)bis(3,4-dimethoxybenzene); 4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene; Tetra-O-methyl-ndga; Tetra-O-methylnordihydroguaiaretic acid; FW 358.2; NSC 136955; Dimethyldihydroguaiaretic acid; 4,4'-(2,3-Dimethyl-1,4-butanediyl)bis-1,2-dimethoxybenzene; 1,1'-(2,3-dimethylbutane-1,4-diyl)bis(3,4-dimethoxybenzene); meso-1,4-Bis(3,4-dimethoxyphenyl)dimethylbutane; CHEMBL492149; SCHEMBL2356280; DTXSID10972502; Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis(3,4-dimethoxy-; ZAA15024; NSC136955; ACN-035794; MCULE-8960057146; NSC-136955; Tetra-O-methyl-nordihydroguaiaretic acid; 1,4-dimethoxyphentl)-2,3-dimethylbutane; 701B826; Butane,4-bis(3,4-dimethoxyphenyl)-2,3-dimethyl-; 1,4-Bis(3,4-dimethoxyphenyl)-2,3-dimethyl-butane; Benzene,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dimethoxy]; NCGC00384872-01!4-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136955	.	.	.	.	358.5	C22H30O4	36.9	352	5.6	26	0	4	9	"InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3"	CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C=C2)OC)OC	ORQFDHFZSMXRLM-UHFFFAOYSA-N
DG50774	Bis-A-tda	97676	"Bis-A-tda; 26907-37-9; NSC-143019; n,n'-di(1,3,4-thiadiazol-2-yl)methanediamine; TK-5477; MLS002920577; N,N-Methylenebis(1,3,4-thiadiazol-2-amine); NSC143019; Methanediamine, N,N'-bis(1,3,4-thiadiazol-2-yl)-; Dikushuang; N,N'-bis(1,3,4-thiadiazol-2-yl)methanediamine; SMR001798165; Thiodaqual; Di-Ku-shuang; Bis-ADTA; Methylenebisaminothiazole; BRN 0993888; N,N'-Bis(1,3,4-thiadazol-2-yl)methanediamine; N,N'-Methylenebis(2-amino-1,3,4-thiadiazole); 1,3,4-Thiadiazole, 2,2'-(methylenediimino)bis-; NCIStruc1_000934; NCIStruc2_000692; N,N'-methylene-bis(2-amino-1,3,4-thiadiazole); cid_97676; SCHEMBL5096038; CHEMBL1326228; BDBM91445; DTXSID90181413; ZINC1727081; CCG-37592; NCGC00014373; NCI143019; NCGC00014373-02; NCGC00097481-01; NCI60_000938; 1,4-Thiadiazole, 2,2'-(methylenediimino)bis-; N,N-di(1,3,4-thiadiazol-2-yl)methanediamine; N,N''-bis(1,3,4-thiadiazol-2-yl)methanediamine; N,N'-Bis-[1,3,4]thiadiazol-2-yl-methanediamine; Methanediamine, N,N'-bis(1,3,4-thiadiazol-2-yl)- (9CI); 1,3,4-thiadiazol-2-yl-[(1,3,4-thiadiazol-2-ylamino)methyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143019	.	.	.	.	214.3	C5H6N6S2	132	142	1.2	13	2	8	4	"InChI=1S/C5H6N6S2/c1(6-4-10-8-2-12-4)7-5-11-9-3-13-5/h2-3H,1H2,(H,6,10)(H,7,11)"	C1=NN=C(S1)NCNC2=NN=CS2	WMAHFAYLCMTHCB-UHFFFAOYSA-N
DG50775	"4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-"	97694	"35597-82-1; NSC144872; 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-; 2,3,5-Trichloro-6-(methylsulfonyl)isonicotinonitrile; NSC 144872; CHEMBL1974011; SCHEMBL11882984; 2,3,5-Trichloro-6-(methylsulfonyl)-4-pyridinecarbonitrile; DTXSID80189064; ZINC1728079; NSC-144872; NCI60_000972; Isonicotinonitrile,3,5-trichloro-6-(methylsulfonyl)-; 2,3,5-trichloro-6-methylsulfonyl-pyridine-4-carbonitrile; 4-Pyridinecarbonitrile,3,5-trichloro-6-(methylsulfonyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144872	.	.	.	.	285.5	C7H3Cl3N2O2S	79.2	385	2.4	15	0	4	1	"InChI=1S/C7H3Cl3N2O2S/c1-15(13,14)7-5(9)3(2-11)4(8)6(10)12-7/h1H3"	CS(=O)(=O)C1=NC(=C(C(=C1Cl)C#N)Cl)Cl	NWTXKBMAZQDKMI-UHFFFAOYSA-N
DG50776	"Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-"	97866	"Colchinol, N-acetyl-, methyl ether; N-Acetylcolchinol methyl ether; SKF 287; CHEMBL52534; Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-; Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl)-, (S)-; N-Acetyl colchinol methyl ether; N-Acetylcolchinol O-methyl ether; MLS002702990; NSC 51046; N-Acetylcolchinol, methyl ether; N-Azetyl-colchinol-methylaether [German]; NSC51046; N-Azetyl-colchinol-methylaether; BDBM50409021; SMR001566799; N-(1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo[[ ],[ ]][7]annulen-7-yl)acetamide; N-(3,9,10,11-Tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide; N-(3,9,10,11-Tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51046	.	.	.	.	371.4	C21H25NO5	66	501	3	27	1	5	5	"InChI=1S/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC	FEPNCXXZWLXIHV-UHFFFAOYSA-N
DG50777	"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-"	97887	"3901-51-7; 1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-; NSC54059; 2-methyl-N-[6-[(2-methylaziridine-1-carbonyl)amino]hexyl]aziridine-1-carboxamide; 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis[2-methyl-; 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis(2-methyl-; NSC 54059; SCHEMBL30768; CHEMBL2000215; DTXSID90959851; NSC-54059; AKOS024336427; MCULE-6316577720; NCI60_004334; 1-Aziridinecarboxamide,N'-hexamethylenebis(2-methyl-; 1-Aziridinecarboxamide,N'-1,6-hexanediylbis[2-methyl-; 1-Aziridinecarboxamide, {N,N'-1,6-hexanediylbis[2-methyl-}; 3,3'-(Hexane-1,6-diyl)bis[1,1-(propane-1,2-diyl)urea]; N,N'-(Hexane-1,6-diyl)bis(2-methylaziridine-1-carboxamide); N,N'-(hexane-1,6-diyl)bis-(2-methylaziridine-1-carboxamide); N,N'-HEXAMETHYLENEBIS(2-METHYL-1-AZIRIDINECARBOXAMIDE); N,N'-(Hexane-1,6-diyl)bis(2-methylaziridine-1-carboximidic acid); 2-Methyl-N-(6-(((2-methyl-1-aziridinyl)carbonyl)amino)hexyl)-1-aziridinecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54059	.	.	.	.	282.38	C14H26N4O2	64.2	327	0.7	20	2	2	7	"InChI=1S/C14H26N4O2/c1-11-9-17(11)13(19)15-7-5-3-4-6-8-16-14(20)18-10-12(18)2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,16,20)"	CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C	QJMVVECCBAWCLZ-UHFFFAOYSA-N
DG50778	Hedamycin	98033	"Hedamycin; Crystalline antibiotic B 26,158; NSC-70929; 11048-97-8; Antibiotic B26,158; NSC70929; B 26158; Antiobiotic B 28158, crystalline; 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione; Antibiotic B26158; NSC-70929D; NSC 70929; antibiotic B 26,158; CHEMBL1979887; GTPL10958; 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-; NCI60_038569; B26158; Q15411002; 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione; 4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranos yl]-; 4H-Anthra[1,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70929	.	.	.	.	746.8	C41H50N2O11	171	1570	2.6	54	3	13	6	"InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3"	CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O	RZOFHOWMWMTHDX-UHFFFAOYSA-N
DG50779	Epoxypiperazine	98074	"Epoxypiperazine; Diepoxypiperazine; 1,4-bis(oxiran-2-ylmethyl)piperazine; Diglycidyl piperazine; 2917-98-8; 1,4-Bis(oxiranylmethyl)piperazine; 1,4-Bis(2,3-epoxypropyl)piperazine; NSC74437; Diepoxy piperazine; 1,4-Bis(2-oxiranylmethyl)piperazine; USAF EL-26; N,N'-Bis(2,3-epoxypropyl)piperazine; NSC 74437; BRN 0081824; Piperazine, 1,4-bis(2,3-epoxypropyl)-; AI3-52831; N,3-epoxypropyl)piperazine; 1,3-epoxypropyl)piperazine; NCIOpen2_000546; 4-23-00-00338 (Beilstein Handbook Reference); SCHEMBL354055; CHEMBL1993503; DTXSID00874127; Piperazine,4-bis(oxiranylmethyl)-; NSC-74437; Piperazine,4-bis(2,3-epoxypropyl)-; AKOS006277087; N, N'-Bis(2,3-epoxypropyl)piperazine; Piperazine, 1, 4-bis(oxiranylmethyl)-; NCI60_041628; Piperazine, 1,4-bis(2, 3-epoxypropyl)-; Piperazine, 1,4-bis(oxiranylmethyl)- (9CI); PIPERAZINE,1,4-BIS(2,3-EPOXYPROPYL)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74437	.	.	.	.	198.26	C10H18N2O2	31.5	182	-0.5	14	0	4	4	"InChI=1S/C10H18N2O2/c1-2-12(6-10-8-14-10)4-3-11(1)5-9-7-13-9/h9-10H,1-8H2"	C1CN(CCN1CC2CO2)CC3CO3	XNWUTCRFGMBUOP-UHFFFAOYSA-N
DG50780	9-(4-Thiopentofuranosyl)-9h-purin-6-amine	98140	15023-72-0; 9-(4-thiopentofuranosyl)-9h-purin-6-amine; DTXSID70933896; NSC81154; NSC82219; NSC97111; NSC-81154; NSC-82219; NSC-97111; NSC109160; NSC110342; NSC-109160; NSC-110342; 15023-77-5; 15023-73-1; 2500-79-0	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82219	.	.	.	.	283.31	C10H13N5O3S	156	338	-0.3	19	4	8	2	"InChI=1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(S3)CO)O)O)N	SIGIJBMOORTVPB-UHFFFAOYSA-N
DG50781	"Camptothecin, acetate"	98264	"Camptothecin, acetate; NSC95382; 7688-64-4; Neuro_000043; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl acetate; [ethyl(dioxo)[ ]yl] acetate; CHEMBL2004368; SCHEMBL12045792; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-(acetyloxy)-4-ethyl-, (S)-; NSC-95382; NCI60_042119; 4-Acetyloxy-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-(acetyloxy)-4-ethyl-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95382	.	.	.	.	390.4	C22H18N2O5	85.8	846	1.6	29	0	6	3	"InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C	ASVIEXKOXDCZDF-UHFFFAOYSA-N
DG50782	"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-"	98351	"33022-03-6; 1-(2-Chloroethyl)-1-nitroso-3-(thiochroman-4-yl)urea; Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-; NSC 110800; BRN 1397051; NSC110800; 1-(2-Chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitrosourea; N-(2-Chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitrosourea; Urea, 1-(2-chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso-; CHEMBL12470; NSC-110800; Urea, N-(2-chloroethyl)-N'-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso- (9CI); NCI60_000250; Urea,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso-; Urea,4-dihydro-2H-1-benzothiopyran-4-yl)-N-nitroso-; 1-(2-chloro-ethyl)-1-nitroso-3-thiochroman-4-yl-urea; Urea, 1-(2-chloroethyl)-3-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-nitroso- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110800	.	.	.	.	299.78	C12H14ClN3O2S	87.1	332	2.6	19	1	4	3	"InChI=1S/C12H14ClN3O2S/c13-6-7-16(15-18)12(17)14-10-5-8-19-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,14,17)"	C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O	YYNJYTGDJJPAFO-UHFFFAOYSA-N
DG50783	"6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol"	98409	"NSC251534; 57377-42-1; 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol; 6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol; CHEMBL1976284; DTXSID80972877; NSC 251534; (1'.BETA.)-6,2'-DIMETHYLBERBAMAN-7,12-DIOL; 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251534	.	.	.	.	594.7	C36H38N2O6	83.9	948	5.7	44	2	8	2	"InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC	XGEAUXVPBXUBKN-UHFFFAOYSA-N
DG50784	Argemonine	98569	"Argemonine; N-Methylpavine; N-Methylpavin; (-)-(S)-N-Methylpavine; (-)-(S,S)-N-Methylpavine; (-)-Argemonine; Argemonine, (-)-; 6901-16-2; CHEBI:77060; NSC148823; NSC645246; 2,3,8,9-tetramethoxy-13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene; 4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene; Argemonine (8CI); Argemonine, (.+-.)-; 16584-62-6; Argemonine, (+)-; NSC 148823; NSC 645246; Argemonine, (.+-.); Oprea1_411222; SCHEMBL3865650; CHEMBL1964569; DTXSID90937134; NSC148821; NSC148822; NSC-148821; NSC-148822; NSC-148823; NSC-645246; NCI60_001021; NCI60_015398; C20770; Q27146596; Dibenzo[a,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)-; {Dibenzo[a,e]cycloocten-5,} 11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)-; Dibenzo(a,e)cycloocten-5,11-imine, 5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-, (5S)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148823	.	.	.	.	355.4	C21H25NO4	40.2	447	3.3	26	0	5	4	"InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3"	CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC	QEOWCPFWLCIQSL-UHFFFAOYSA-N
DG50785	"2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline"	98652	"WR 158122; 51123-83-2; 2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline; 6-naphthalen-2-ylsulfonylquinazoline-2,4-diamine; MLS002920661; TCMDC-137192; UNII-3LR92USV18; 3LR92USV18; GNF-PF-2448; SMR001798248; WR-158122; NSC 157388; BRN 0763154; WR-158,122; 2,4-Diamino-6-(2'-naphthyl)sulfonylquinazoline; 2,4-Quinazolinediamine, 6-(2-naphthalenylsulfonyl)-; 2,4-Diamino-6-(2-naphthyl-sulfonyl)-quinazoline; 5-25-13-00133 (Beilstein Handbook Reference); cid_98652; CHEMBL268584; SCHEMBL5619636; BDBM83720; DTXSID40199144; 2, 6-(2-naphthalenylsulfonyl)-; ZINC6118800; NSC157388; NSC-157388; NCI60_001140; WR 158,122; 2,4-Diamino-6-(2-naphthylsulfonyl)quinazoline; 6-(2-naphthylsulfonyl)-2,4-quinazolinediamine; 2,4-diamino-6-(2-naphthylsulfonyl) quinazoline; 2,4-diamino-6-(naphth-2-ylsulfonyl)quinazoline; 6-(2-naphthalenylsulfonyl)quinazoline-2,4-diamine; [2-amino-6-(2-naphthylsulfonyl)quinazolin-4-yl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157388	.	.	.	.	350.4	C18H14N4O2S	120	578	3	25	2	6	2	"InChI=1S/C18H14N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)"	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N	GBVQWZXJDIIUCC-UHFFFAOYSA-N
DG50786	"2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-"	98712	"NSC162062; 35474-70-5; NSC 162062; BRN 2146248; 2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-; 3-((2-Chloro-2,2-difluoro-1-(chlorodifluoro)methyl)ethylidene)bicyclo(2.2.1)heptane-2-one; CHEMBL2005480; DTXSID10956882; NSC-162062; NCI60_001206; Bicyclo[2.2.1]heptan-2-one,2-difluoroethylidene]-; 3-(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-one; 3-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoroethylidene)bicyclo[2.2.1]heptan-2-one; 3-[2-Chloro-1-(chlorodifluoromethyl)-2,2-difluoroethylidene]-2-norbornanone; 3-[2-chloro-1-[chloro(difluoro)methyl]-2,2-difluoro-ethylidene]norbornan-2-one; {Bicyclo[2.2.1]heptan-2-one,} {3-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoroethylidene]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162062	.	.	.	.	291.07	C10H8Cl2F4O	17.1	389	3.9	17	0	5	2	"InChI=1S/C10H8Cl2F4O/c11-9(13,14)8(10(12,15)16)6-4-1-2-5(3-4)7(6)17/h4-5H,1-3H2"	C1CC2CC1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2=O	OFBNFLKOUJGNRK-UHFFFAOYSA-N
DG50787	Diiodobenzotepa	98818	"Diiodobenzotepa; Diiodobenzoteph; Dijodbenzotef; Diiodbenzoteph; 2,5-Diodobenzo-TEPA; 4460-32-6; N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide; MLS002702052; NSC167781; Diiodobenzotef; NSC 167781; BRN 1324621; Diiodbezotef; Benzamide,5-diiodo; N-(Bis(1-aziridinyl)phosphinyl)-2,5-diiodobenzamide; Phosphinic amide, P,P-bis(1-aziridinyl)-2,5-diiodobenzoyl-; N-2,5-Diiodobenzoyl-N',N',N'',N''-diethylenephosphortriamide; 2, 5-Diodobenzo-TEPA; CHEMBL460297; Benzamide, N-(bis(1-aziridinyl)phosphinyl)-2,5-diiodo-; DTXSID90196244; ZINC44362096; NSC-167781; NCI60_001328; SMR001565624; N-(Di(1-aziridinyl)phosphoryl)-2,5-diiodobenzamide; N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodo-benzamide; Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo-}; Benzamide, {N-[bis(1-aziridinyl)phosphinyl]-2,5-diiodo} ( )"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167781	.	.	.	.	503.01	C11H12I2N3O2P	52.2	412	1.7	19	1	4	4	"InChI=1S/C11H12I2N3O2P/c12-8-1-2-10(13)9(7-8)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)"	C1CN1P(=O)(NC(=O)C2=C(C=CC(=C2)I)I)N3CC3	BFKKCDNAUZMDOX-UHFFFAOYSA-N
DG50788	cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid	98897	"52320-89-5; 56208-24-3; NSC 204816; NSC 175377; cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid; Cyclohexaneacetic acid, cis-; Cyclohexaneacetic acid, (E)-; Cyclohexaneacetic acid, (Z)-; Cyclohexaneacetic acid, trans-; CHEMBL1995873; CHEMBL1999834; DTXSID90966702; NSC175377; NSC204816; ZINC17004319; Cyclohexaneacetic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (E)-; Cyclohexaneacetic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-; NSC-175377; NSC-204816; Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, cis- (9CI); Cyclohexaneacetic acid, 4-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-, trans- (9CI); NCI60_001435; NCI60_001719; 4alpha-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1alpha-acetic acid; 4beta-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexane-1alpha-acetic acid; [4-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)cyclohexyl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175377	.	.	.	.	291.73	C11H18ClN3O4	99.1	332	2.3	19	2	5	5	"InChI=1S/C11H18ClN3O4/c12-5-6-15(14-19)11(18)13-9-3-1-8(2-4-9)7-10(16)17/h8-9H,1-7H2,(H,13,18)(H,16,17)"	C1CC(CCC1CC(=O)O)NC(=O)N(CCCl)N=O	RGSCZHWAYJQOJX-UHFFFAOYSA-N
DG50789	"Piperidine, 2-methyl-6-undecyl-"	99090	"2-methyl-6-undecylpiperidine; Methylundecylpiperidine, cis; NSC166588; NSC172610; 92619-72-2; Piperidine, 2-methyl-6-undecyl-; 137038-57-4; METHYLUNDECYLPIPERIDINE, TRANS; Methylundecylpiperidine; trans-Methylundecylpiperidine; SCHEMBL2688464; CHEMBL1991422; NSC 172610; NSC-166588; NSC-172610; Piperidine, cis-2-metyhl-6-n-undecyl-; 83709-88-0; NCI60_001394; PIPERIDINE, CIS-2-METHYL-6-N-UNDECYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166588	.	.	.	.	253.5	C17H35N	12	178	6.7	18	1	1	10	"InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17/h16-18H,3-15H2,1-2H3"	CCCCCCCCCCCC1CCCC(N1)C	AYJGABFBAYKWDX-UHFFFAOYSA-N
DG50790	Tetrangulol	99188	"Tetrangulol; 7414-92-8; 1,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione; 1,8-dihydroxy-3-methyltetraphene-7,12-dione; CHEBI:32212; NSC194618; 1,8-Dihydroxy-3-methylbenz(a)anthracene-7,12-dione; 18-Dihydroxy-3-methylbenz(a)anthracene-7,12-dione; SCHEMBL5071398; CHEMBL1668340; DTXSID90225109; BS-1065; NSC 194618; NSC-194618; NCI60_001626; Benz[a]anthracene-7, 1,8-dihydroxy-3-methyl-; Q27114830; Benz(a)anthracene-7,12-dione, 1,8-dihydroxy-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	194618	.	.	.	.	304.3	C19H12O4	74.6	516	4.3	23	2	4	0	"InChI=1S/C19H12O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-8,20-21H,1H3"	CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O	NFUYRESOTVGLRL-UHFFFAOYSA-N
DG50791	"3-Benzyl-5-methyl-1,3,5-thiadiazinane-2-thione"	99221	"3-benzyl-5-methyl-1,3,5-thiadiazinane-2-thione; UNII-RG8L6E8RDW; RG8L6E8RDW; 14318-39-9; 2H-1,3,5-Thiadiazine-2-thione, 3-benzyltetrahydro-5-methyl- (6CI,7CI,8CI); D 4735; NSC 201646; BRN 0522471; Tetrahydro-3-benzyl-5-methyl-2H-1,3,5-thiadiazine-2-thione; Oprea1_615196; DTXSID20162336; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-methyl-; NSC201646; ZINC31343370; NSC-201646; DS-008755; 3-Benzyl-5-methyltetrahydro-1,3,5-thiadiazine-2-thione; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-methyl-3-(phenylmethyl)- (9CI); 2H-1,3,5-THIADIAZINE-2-THIONE,TETRAHYDRO-5-METHYL-3-(PHENYLMETHYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201646	.	.	.	.	238.4	C11H14N2S2	63.9	227	2.8	15	0	3	2	"InChI=1S/C11H14N2S2/c1-12-8-13(11(14)15-9-12)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3"	CN1CN(C(=S)SC1)CC2=CC=CC=C2	BFLHJRCTMSBRPJ-UHFFFAOYSA-N
DG50792	Isodiospyrin	99298	"ISODIOSPYRIN; 20175-84-2; Isoldiospyrin; rac-Isodiospyrin; C22H14O6; NSC208731; 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione; CHEBI:6002; 89475-33-2; [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxo-1-naphthyl)-7-methyl-naphthalene-1,4-dione; [1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (R)- (8CI); (1R)-1',4-Dihydroxy-2,3'-dimethyl[1,2'-binaphthalene]-5,5',8,8'-tetrone; (-)-Isodiospyrin; (1,2'-Binaphthalene)-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; NSC 208731; CHEMBL1992900; BDBM93040; DTXSID90174007; ZINC899329; AKOS030533948; NSC-208731; NCI60_001744; W2139; Q27106975; 5,5'-Dihydroxy-7,7'-dimethyl-6,8'-bi[1,4-naphthoquinone]; [1,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-; 1',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208731	.	.	.	.	374.3	C22H14O6	109	795	3.7	28	2	6	1	"InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3"	CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O	OEEOHKZVBKYMBA-UHFFFAOYSA-N
DG50793	"6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)"	99342	"MTDQ; 41208-07-5; UNII-6BX61HE35O; MLS000756546; 6BX61HE35O; 6,6'-Methylene bis(2,2,4-trimethyl-1,2-dihydroquinoline); 6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline); Quinoline, 6,6'-methylenebis(1,2-dihydro-2,2,4-trimethyl)-; NSC 217697; BRN 0323757; Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-; 4-23-00-01927 (Beilstein Handbook Reference); SCHEMBL9450756; CHEMBL1440240; DTXSID30194128; Quinoline, 6,6'-methylenebis(1,2-dihydro-2,2,4-trimethyl-; ZINC4773602; NSC217697; 2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]-1H-quinoline; NSC-217697; NCGC00246775-01; SMR000528793; Quinoline,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl-; Quinoline,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-; 6,6'-methylene-bis-(2,2,4-trimethyl-1,2-dihydroquinoline)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	217697	.	.	.	.	358.5	C25H30N2	24.1	572	5.5	27	2	2	2	"InChI=1S/C25H30N2/c1-16-14-24(3,4)26-22-9-7-18(12-20(16)22)11-19-8-10-23-21(13-19)17(2)15-25(5,6)27-23/h7-10,12-15,26-27H,11H2,1-6H3"	CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C	ADHZMOYUJKFKSE-UHFFFAOYSA-N
DG50794	"3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione"	99601	"3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione; NSC246981; CHEMBL136906; 21808-80-0; NSC-246981; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-; BRN 1081719; NCIStruc1_000753; NCIStruc2_001785; DTXSID10176225; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-butyl-; 5-Butyl-3-(phenylmethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thione; BDBM50133919; CCG-36759; NCGC00014605; NCI246981; Tetrahydro-5-butyl-3-(phenylmethyl)-2H-1,3,5-thiadiazine-2-thione; ZINC27440245; NSC 246981; NCGC00014605-02; NCGC00097708-01; NCI60_001973; 3-Benzyl-5-butyl-[1,3,5]thiadiazinane-2-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246981	.	.	.	.	280.5	C14H20N2S2	63.9	265	4	18	0	3	5	"InChI=1S/C14H20N2S2/c1-2-3-9-15-11-16(14(17)18-12-15)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3"	CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2	GKODUQFGYOBNMB-UHFFFAOYSA-N
DG50795	Sudan Red B	99631	"Sudan Red B; Solvent Red 25; 3176-79-2; C.I. Solvent Red 25; UNII-6FF2354A0O; 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-2-naphthol; 2-Naphthalenol, 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-; 6FF2354A0O; 1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol; 1-((3-Methyl-4-((3-methylphenyl)azo)phenyl)azo)-2-naphthol; Ceres Red B; 2-Naphthalenol, 1-((3-methyl-4-((3-methylphenyl)azo)phenyl)azo)-; Fat Deep Red; EINECS 221-647-7; SUDANREDB; SCHEMBL357735; SCHEMBL2389935; CHEMBL1997306; Sudan Red B, analytical standard; DTXSID501016720; MFCD00021456; NSC252816; ZINC18022178; AKOS015912776; AKOS024370871; ZINC104187917; ZINC104187921; ZINC104187924; MCULE-1569183976; NSC 252816; NSC-252816; AS-17208; NCI60_002029; C.I. 26110; Q27264817; 1-((3-Methyl-4-(m-tolyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-((E)-(3-methyl-4-((E)-m-tolyldiazenyl)phenyl)diazenyl)naphthalen-2-ol; 1-[(E)-[3-methyl-4-[(E)-(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252816	.	.	.	.	380.4	C24H20N4O	69.7	579	7.1	29	1	5	4	"InChI=1S/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3"	CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C	NHXXLZBKTKNTEF-UHFFFAOYSA-N
DG50796	"1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-"	99670	"64955-56-2; 1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-; NSC263434; CHEMBL3278758; DTXSID90983515; NSC 263434; NSC-263434; N,N'-(Octane-1,8-diyl)bis(3-methoxyacridin-9(10H)-imine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263434	.	.	.	.	558.7	C36H38N4O2	68.3	734	9.3	42	2	6	13	"InChI=1S/C36H38N4O2/c1-41-25-17-19-29-33(23-25)39-31-15-9-7-13-27(31)35(29)37-21-11-5-3-4-6-12-22-38-36-28-14-8-10-16-32(28)40-34-24-26(42-2)18-20-30(34)36/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3,(H,37,39)(H,38,40)"	COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC	APEGUHYDSVLTGU-UHFFFAOYSA-N
DG50797	Calvatic acid	99679	"Calvatic acid; 54723-08-9; Benzoic acid, 4-(cyano-NNO-azoxy)-; (4-carboxyphenyl)-cyanoimino-oxidoazanium; p-Carboxyphenylazoxycyanide; CHEMBL131824; NSC264713; AKOS006276191; ZINC104190211; NSC-264713; NCI60_002121; 4-carboxy-N-(cyanoimino)benzen-1-imine oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264713	.	.	.	.	191.14	C8H5N3O3	102	296	1.3	14	1	5	2	"InChI=1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13)"	C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]	LDRFVNKBORCKQS-UHFFFAOYSA-N
DG50798	"Succinimide, 3-chloro-N-(p-methoxyphenyl)-"	99724	"Succinimide, 3-chloro-N-(p-methoxyphenyl)-; 36342-13-9; NSC 191909; BRN 0210254; alpha-Chloro-N-(p-methoxyphenyl)succinimide; NSC191909; 4-21-00-04578 (Beilstein Handbook Reference); SCHEMBL9354236; CHEMBL2000330; 2, 3-chloro-1-(4-methoxyphenyl)-; NSC-191909; .alpha.-Chloro-N-(p-methoxyphenyl)succinimide; 3-CHLORO-N-(P-METHOXYPHENYL)SUCCINIMIDE; 2,5-Pyrrolidinedione, 3-chloro-1-(4-methoxyphenyl)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	191909	.	.	.	.	239.65	C11H10ClNO3	46.6	300	1.4	16	0	3	2	"InChI=1S/C11H10ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-5,9H,6H2,1H3"	COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl	UKFITXSLZKBHSN-UHFFFAOYSA-N
DG50799	"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-"	99773	"23538-08-1; 4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-; 3-(1-Phenylethyl)-2-thioxothiazolidin-4-one; 3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one; NSC209926; 3-(1-Phenylethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(1-Phenyl-ethyl)-2-thioxo-thiazolidin-4-one; 3-(alpha-Methylbenzyl)rhodanine; Rhodanine, 3-(alpha-methylbenzyl)-; NSC 209926; BRN 0084515; Maybridge3_004762; HMS1444I10; CCG-43543; MFCD01684698; STK092290; AKOS000313147; MCULE-6134881749; NSC-209926; IDI1_016149; UPCMLD0ENAT5772904:001; NS-03246; DS-008785; CS-0333522; 3-(1-phenylethyl)-2-thioxo-thiazolidin-4-one; 4-Thiazolidinone,3-(1-phenylethyl)-2-thioxo-; SR-01000003846; A1-03738; SR-01000003846-1; SR-01000003846-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209926	.	.	.	.	237.3	C11H11NOS2	77.7	274	2.7	15	0	3	2	"InChI=1S/C11H11NOS2/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3"	CC(C1=CC=CC=C1)N2C(=O)CSC2=S	KQSHNYSKESUNOZ-UHFFFAOYSA-N
DG50800	Thiodemecolcine	99803	"Thiodemecolcine; 76129-11-8; MLS002703029; NSC 221662; BRN 3170982; 1,2,3-Trimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one; NSC221662; 1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; CHEMBL1709848; Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-trimethoxy-, (S)-; SMR001566837; {Benzo[a]heptalen-9(5H)-one,} 6,7-dihydro-1,2, 3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221662	.	.	.	.	387.5	C21H25NO4S	82.1	657	1.9	27	1	6	5	"InChI=1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3"	CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	RRCKMQLZGKWNPR-UHFFFAOYSA-N
DG50801	4-Methoxydalbergione	99926	"4-Methoxydalbergione; 28396-75-0; NSC269121; NSC629750; 2-Methoxy-5-(1-phenylallyl)-4-benzoquinone; 2-Methoxy-5-(1-phenylallyl)-p-benzoquinone; NSC 269121; Spectrum_001081; SpecPlus_000079; Spectrum2_000654; Spectrum3_000201; Spectrum4_000941; Spectrum5_001903; BSPBio_001781; KBioGR_001522; KBioSS_001561; SPECTRUM201092; DivK1c_006175; SPBio_000687; CHEMBL1554531; KBio1_001119; KBio2_001561; KBio2_004129; KBio2_006697; KBio3_001281; 2-methoxy-5-(1-phenylallyl)cyclohexa-2,5-diene-1,4-dione; CCG-38560; NSC-269121; NSC-629750; SDCCGMLS-0066445.P001; NCGC00095497-01; NCGC00095497-02; NCI60_002183; 2-methoxy-5-(1-phenylallyl)-1,4-benzoquinone; SR-05000002505; SR-05000002505-1; 2-Methoxy-5-(1-phenyl-2-propenyl)benzo-1,4-quinone; 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-(1-phenyl-2-propenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269121	.	.	.	.	254.28	C16H14O3	43.4	451	2.7	19	0	3	4	"InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3"	COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2	RGSUZUQISVAJJF-UHFFFAOYSA-N
DG50802	Ansamitocin P 3	99957	"Ansamitocin P 3; Ansamitocin P-3; 66584-72-3; NSC292222; MFCD00274586; SY247349; FT-0698777; FT-0700487; 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292222	.	.	.	.	635.1	C32H43ClN2O9	136	1150	3.1	44	2	9	5	"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)"	CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O	OPQNCARIZFLNLF-UHFFFAOYSA-N
DG50803	Horminon	99965	"TAXOQUINONE; HORMINON; 21764-41-0; NSC294577; 1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione; NSC122418; 7,12-Dihydroxyabieta-8,12-diene-11,14-dione; CHEMBL1969546; DTXSID70944381; AKOS032949050; NSC-122418; NSC-294577; NCI60_002439"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294577	.	.	.	.	332.4	C20H28O4	74.6	680	3.1	24	2	4	1	"InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21-22H,6-9H2,1-5H3"	CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O	WAZYPYJGZYLHHT-UHFFFAOYSA-N
DG50804	Grossheimin	99967	"Grossheimin; NSC295425; Grosheimine; 4-hydroxy-9-methyl-3,6-dimethylideneoctahydroazuleno[4,5-b]furan-2,8(3h,4h)-dione; SCHEMBL1711493; CHEMBL1968792; DTXSID60945165; NSC-295425; NCI60_002463; 4-Hydroxy-9-methyl-3,6-dimethyleneoctahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione #; 4-.beta.-H-Guaia-10(14),11(13)-dien-12-oic acid, 6-.alpha.,8-.alpha.-dihydroxy-3-oxo-,12,6-lactone; 4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno [4,5-b]furan-2,8-dione; Azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, [3aR-(3a.alpha.,4.alpha.,6a.alpha.,9.alpha.,9a.alpha.,9b.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295425	.	.	.	.	262.3	C15H18O4	63.6	492	0.8	19	1	4	0	"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3"	CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O	YGMIBVIKXJJQQJ-UHFFFAOYSA-N
DG50805	NSC309909	100017	"Methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; Nimbolide; 25990-37-8; NSC309909; Methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate; MEGxp0_001495; CHEMBL1968854; SCHEMBL16561839; DTXSID20948894; NSC-309909; NCI60_002662; XN164985; FT-0672734; A934941; J-016215; Methyl [8-(furan-3-yl)-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-yl]acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309909	.	.	.	.	466.5	C27H30O7	92	1040	2.2	34	0	7	4	"InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3"	CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C	JZIQWNPPBKFOPT-UHFFFAOYSA-N
DG50806	9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine	100053	"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine; NSC121182; MLS000737527; 4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; JCI-2172; 9H-Purin-6-amine, 9-(2-amino-2-deoxy-.beta.-D-xylofuranosyl)-; 24807-84-9; NSC-121182; 2''-AMINO-2''-DEOXYADENOSINE; NSC106047; ADENOSINE,-2'-DEOXY; CHEMBL1373519; DTXSID70908822; HMS2270P24; NSC106048; NSC324326; (2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; NSC-106047; NSC-106048; NSC-324326; NCI60_000497; SMR000528550; FT-0774323; 9-(2-Amino-2-deoxypentofuranosyl)-9H-purin-6-amine; Adenine, 9-(2-amino-2-deoxy-.alpha.-D-xylofuranosyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121182	.	.	.	.	266.26	C10H14N6O3	145	334	-1.3	19	4	8	2	"InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N)N	CQKMBZHLOYVGHW-UHFFFAOYSA-N
DG50807	"N-(4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	100064	"4-Formylcolchicine; MLS002701815; SMR001565408; N-(4-formyl-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC328403; NSC 328403; Neuro_000167; N-(4-Formyl-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; CHEMBL18936; cid_100064; BDBM97331; (S)-N-(4-Formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; N-(4-formyl-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- {tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; N-(4-methanoyl-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328403	.	.	.	.	427.4	C23H25NO7	100	815	0.5	31	1	7	6	"InChI=1S/C23H25NO7/c1-12(26)24-17-8-6-14-16(11-25)21(29-3)23(31-5)22(30-4)20(14)13-7-9-19(28-2)18(27)10-15(13)17/h7,9-11,17H,6,8H2,1-5H3,(H,24,26)"	CC(=O)NC1CCC2=C(C(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C=O	JUWAUXATKRGHCK-UHFFFAOYSA-N
DG50808	"Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-"	100092	"Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-; 50700-63-5; 5'-Bromoacetamido-5'-deoxythymidine; 5'-(Bromoacetamido)-5'-deoxythymidine; Thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-; NSC 334043; BRN 0705339; NSC334043; DTXSID70964948; NSC-334043; A828999; 1-{5-[(2-Bromo-1-hydroxyethylidene)amino]-2,5-dideoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one; 2-bromo-N-[[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide;4-(4-Methoxyphenyl)-1-butanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334043	.	.	.	.	362.18	C12H16BrN3O5	108	495	-0.4	21	3	5	4	"InChI=1S/C12H16BrN3O5/c1-6-5-16(12(20)15-11(6)19)10-2-7(17)8(21-10)4-14-9(18)3-13/h5,7-8,10,17H,2-4H2,1H3,(H,14,18)(H,15,19,20)"	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CBr)O	ADGOHIZJIRUSTK-UHFFFAOYSA-N
DG50809	Dihydrolenperone	100146	"Dihydrolenperone; Dihydro-lenperone; 38077-12-2; NSC343513; MLS003170994; CHEMBL188237; NCI-343513; RMI11974;NSC 343513; 1-Butanone, 1-(4-fluorophenyl)-4-(4-((4-fluorophenyl)hydroxymethyl)-1-piperidinyl)-; 1-(4-fluorophenyl)-4-(4-((4-fluorophenyl)(hydroxy)methyl)piperidin-1-yl)butan-1-one; 1-Butanone, 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]-; Rmi 11974; NSC 343513; BRN 1553352; 1-(4-Fluorophenyl)-4-(4-((4-fluorophenyl)(hydroxy)methyl)-1-piperidinyl)-1-butanone; 1-(4-fluorophenyl)-4-{4-[(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl}-1-butanone; 1-(4-Fluorophenyl)-4-(4-((4-fluorophenyl)hydroxymethyl)-1-piperidinyl)-1-butanone; SCHEMBL11621413; BDBM50154453; NSC-343513; 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one; NCI60_003049; SMR001874907; Q27272983; 4-(p-Fluoro-alpha-hydroxybenzyl)-1-[3-(p-fluorobenzoyl)propyl]piperidine; 1-(4-Fluoro-phenyl)-4-{4-[(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-butan-1-one; 1-(4-Fluorophenyl)-4-(4-[(4-fluorophenyl)(hydroxy)methyl]-1-piperidinyl)-1-butanone #; 1-(4-Fluorophenyl)-4-[4-(alpha-hydroxy-4-fluorobenzyl)piperidino]-1-butanone; 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]butan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343513	.	.	.	.	373.4	C22H25F2NO2	40.5	451	3.7	27	1	5	7	"InChI=1S/C22H25F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18,22,27H,1-2,11-15H2"	C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCCC(=O)C3=CC=C(C=C3)F	ICAYNKLSQSKOJZ-UHFFFAOYSA-N
DG50810	Cyanocycline A	100158	"Cyanocycline A; Cyanonaphthyridinomycin; NSC349644; 82423-05-0; MLS002702885; CYANO-NAPA; 16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile; NSC 349644; NSC348121; (+)-Cyanocycline A; Neuro_000182; 9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5h-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile; CYANOCYCLINE A (CHUGAI); CHEMBL1727019; DTXSID601002675; NSC-348121; NSC-349644; 4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-, (3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-; NCI60_003116; SMR001566703; 4,2-a]pyrazino-[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-; 4,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348121	.	.	.	.	426.5	C22H26N4O5	106	1010	-0.8	31	1	9	2	"InChI=1S/C22H26N4O5/c1-9-19(28)15-14(20(29)21(9)30-3)13(8-27)26-12(7-23)11-6-10-16(24(11)2)18(26)17(15)25-4-5-31-22(10)25/h10-13,16-18,22,27H,4-6,8H2,1-3H3"	CC1=C(C(=O)C2=C(C1=O)C3C4C5C(CC(N5C)C(N4C2CO)C#N)C6N3CCO6)OC	KDWXMIJUXUSUMZ-UHFFFAOYSA-N
DG50811	"2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide"	100171	"O-Ethylcolchifoline; NSC353494; NSC 353494; BRN 5655097; 2-Ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-, (S)-; 2-ethoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-1,2,3, {10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353494	.	.	.	.	443.5	C24H29NO7	92.3	787	1.3	32	1	7	8	"InChI=1S/C24H29NO7/c1-6-32-13-21(27)25-17-9-7-14-11-20(29-3)23(30-4)24(31-5)22(14)15-8-10-19(28-2)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)"	CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	RSTAAABJXUCDEQ-UHFFFAOYSA-N
DG50812	"N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide"	100173	"NSC354974; N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; 57866-21-4; N-(2,3-dihydroxy-1,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; 2,3-Dimethylcolchicine; 2,3-Didemethylcolchicine; NSC-354974; NSC 354974; 2,3-Dedimethylcolchicine; 2,3-didemethyl-colchicine; CHEMBL1984076; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethyoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1, {10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354974	.	.	.	.	371.4	C20H21NO6	105	709	0.2	27	3	6	3	"InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-16(24)19(25)20(27-3)18(11)12-5-7-17(26-2)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)O	DEIXKZGDCOFYAR-UHFFFAOYSA-N
DG50813	"1,2-Didemethylcolchicine"	100174	"1,2-Didemethylcolchicine; 78231-83-1; NSC354975; Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; CHEMBL1975605; NSC 354975; NSC-354975; Acetamide, N-(5,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo(a)heptalen-7-yl)-,(S)-; Acetamide,6,7,9-tetrahydro-1,2-dihydroxy-3,10-dimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(1,2-Dihydroxy-3,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354975	.	.	.	.	371.4	C20H21NO6	105	709	0.2	27	3	6	3	"InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-17(27-3)19(24)20(25)18(11)12-5-7-16(26-2)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)O)OC	QCOIAAVYXNEUDX-UHFFFAOYSA-N
DG50814	N-(Phenoxyacetyl)deacetylcolchicine	100175	"N-(Phenoxyacetyl)deacetylcolchicine; NSC355450; 86436-45-5; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-9-oxo-1,2,3,10-tetramethoxybenzo(a)heptalen-7-yl)-, (S)-; 2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC 355450; BRN 5670166; 2-Phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; CHEMBL1973567; NSC-355450; Colchicine, N-desacetyl-N-phenyloxyacetyl-; A844323; (S)-2-PHENOXY-N-(5,7,9-TETRAHYDRO-1,2,3,10-TETRAMETHOXY-9-OXOBENZO[A]HEPTALEN-7-YL)ACETAMIDE; 2-phenoxy-N-(1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide; 2-Phenoxy-N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide #; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3, {10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-,} (S)-; Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355450	.	.	.	.	491.5	C28H29NO7	92.3	888	2.7	36	1	7	8	"InChI=1S/C28H29NO7/c1-32-23-13-11-19-20(15-22(23)30)21(29-25(31)16-36-18-8-6-5-7-9-18)12-10-17-14-24(33-2)27(34-3)28(35-4)26(17)19/h5-9,11,13-15,21H,10,12,16H2,1-4H3,(H,29,31)"	COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4	GQILPBLGDOWLSP-UHFFFAOYSA-N
DG50815	25-Dihydrosaframycin A	100180	"25-Dihydrosaframycin A; Saframycin A, 25-dihydro; 81382-09-4; N-[(12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl]-2-hydroxypropanamide; NSC357503; Saframycin AH1; NSC 357503; CHEMBL1999890; DTXSID301001961; NSC-357503; 92621-76-6; N-[(7-Cyano-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-1,5,6,7,9,10,13,14,14a,15-decahydro-4H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-9-yl)methyl]-2-hydroxypropanimidic acid; Propanamide, N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-hydroxy-; Propanamide,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357503	.	.	.	.	564.6	C29H32N4O8	166	1490	-0.4	41	2	11	5	"InChI=1S/C29H32N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h13,16-19,22,34H,7-8,10H2,1-6H3,(H,31,39)"	CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC	CAMSTDAAQJKEMB-UHFFFAOYSA-N
DG50816	NSC376128	100208	"L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-; 110417-88-4; L-Valinamide, N,N-dimethyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-; NSC376128; From Dolabella auricularia (sea hare); Neuro_000215; SCHEMBL13840941; FT-0699905"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376128	.	.	.	.	785.1	C42H68N6O6S	162	1220	5.8	55	2	9	21	"InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)"	CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C	OFDNQWIFNXBECV-UHFFFAOYSA-N
DG50817	"1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione"	100214	"78146-26-6; 1,4-Bis(opn)anthracenedione; NSC380212; 1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione; 1,4-Bis(2,3-epoxypropylamino)-9,10-anthracenedione; CHEMBL108461; SCHEMBL3272971; ST-DAAE-1,4-(II); DTXSID40999388; NSC 380212; NSC-380212; ANTHRAQUINONE DER ST-DAAE-1,4-II; NCI60_003592; 1,4-bis-(2, 3-epoxypropylamino)-9, 10-anthracenedione; 1,4-bis-(2,3-ep-oxypropylamino)-9,10-anthracenedione; 1,4-Bis-(2,3-epoxypropylamino)-9, 10-anthracenedione; 9,10-Anthracenedione, 1,4-bis((oxiranylmethyl)amino)-; 1,4-Bis{[(oxiran-2-yl)methyl]amino}anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380212	.	.	.	.	350.4	C20H18N2O4	83.3	532	3.3	26	2	6	6	"InChI=1S/C20H18N2O4/c23-19-13-3-1-2-4-14(13)20(24)18-16(22-8-12-10-26-12)6-5-15(17(18)19)21-7-11-9-25-11/h1-6,11-12,21-22H,7-10H2"	C1C(O1)CNC2=C3C(=C(C=C2)NCC4CO4)C(=O)C5=CC=CC=C5C3=O	LGYRALFKRRVBET-UHFFFAOYSA-N
DG50818	"Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI)"	100267	"NSC-278214; 74296-42-7; NSC278214; CHEMBL284134; Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI); (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) bis(isopropylcarbamate); Carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester; Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester; NCI 278214; NSC 278214; SCHEMBL8714429; DTXSID90225306; ZINC1562988; BDBM50022673; NCI60_002264; [3-(3,4-dichlorophenyl)-2-(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-isopropylcarbamate; [5-(3,4-Dichlorophenyl)-6-(([(isopropylamino)carbonyl]oxy)methyl)-2,3-dihydro-1H-pyrrolizin-7-yl]methyl isopropylcarbamate #; Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-2,5,6,7-tetrahydro-pyrrolizin-1-ylmethyl ester; Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-6,7-dihydro-5H-pyrrolizin-1-ylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278214	.	.	.	.	482.4	C23H29Cl2N3O4	81.6	651	4.6	32	2	4	9	"InChI=1S/C23H29Cl2N3O4/c1-13(2)26-22(29)31-11-16-17(12-32-23(30)27-14(3)4)21(28-9-5-6-20(16)28)15-7-8-18(24)19(25)10-15/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,26,29)(H,27,30)"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl	CCBHSPUYWZHDFX-UHFFFAOYSA-N
DG50819	Tocladesine	100299	"Tocladesine; 8-Chloro-cAMP; 8-Cl-cAMP; 41941-56-4; 8-Chloroadenosine 3',5'-monophosphate; UNII-BQ94Z7E5OR; ICN-1256; BQ94Z7E5OR; NSC-614491; 8-Chloroadenosine-cyclic-3',5'-monophosphate dihydrate; 8-chloro-cyclic AMP; CCRIS 846; NCS 614491; 8-Chloro-cyclic adenosine monophosphate; Tocladesine [USAN:INN:BAN]; NSC-284751; ADENAZOLE; 8-Chloroadenosine 3',5'-cyclic-monophosphate; NSC614491; 8-Chloroadenosine 3',5'-cyclic phosphate; Tocladesine (USAN/INN); 8-chloroadenosine 3',5'-cyclic monophosphate; SCHEMBL125595; CHEMBL2107085; Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate); ZINC4214493; CN1256; MFCD00153938; CN 1256; DB13046; NSC 614491; (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; D06173; W-202723; Q27274811; (4aR,6R,7R,7aS)-6-(6-amino-8-chloro-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-chloro-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)-; 6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614491	.	.	.	.	363.65	C10H11ClN5O6P	155	532	-1.6	23	3	10	1	"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/t3-,5-,6-,9-/m1/s1"	C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O	CLLFEJLEDNXZNR-UUOKFMHZSA-N
DG50820	"Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate"	100323	"60263-06-1; Ethyl (1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; ethyl(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate; JP-2; NSC658398; NSC289072; 2,5-Cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, ethyl ester; CHEMBL486395; SCHEMBL10249875; DTXSID40209015; ZINC1565179; AKOS022184842; NSC 289072; NSC-289072; NSC-658398; NCI60_020510; JACARANDA PUBERULA, PHYTOQUINOID FROM; W2137; A869019; Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate; 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658398	.	.	.	.	196.2	C10H12O4	63.6	285	0.6	14	1	4	4	"InChI=1S/C10H12O4/c1-2-14-9(12)7-10(13)5-3-8(11)4-6-10/h3-6,13H,2,7H2,1H3"	CCOC(=O)CC1(C=CC(=O)C=C1)O	PCTPJULDTWCNKF-UHFFFAOYSA-N
DG50821	Dienone B	100324	"Dienone B; Dibromoverongia-quinol; 17194-81-9; UNII-8V0PDK5CGM; 8V0PDK5CGM; 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide; 2,5-Cyclohexadiene-1-acetamide, 3,5-dibromo-1-hydroxy-4-oxo-; Aeroplysinin-1 dienone; VERONGIAQUINOL; NSC 289074; CHEMBL458693; DTXSID10169192; 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetamide; NSC289074; 3',5'-Dibromo-1'-hydroxy-4'-oxocyclohexa-2',5'-dien-1'-yl-acetamide; NSC-289074"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289074	.	.	.	.	324.95	C8H7Br2NO3	80.4	338	1	14	2	3	2	"InChI=1S/C8H7Br2NO3/c9-4-1-8(14,3-6(11)12)2-5(10)7(4)13/h1-2,14H,3H2,(H2,11,12)"	C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br	OPJJYFWUWHEWDE-UHFFFAOYSA-N
DG50822	Asterriquinone	100329	"Asterriquinone; 60696-52-8; UNII-JV64RB1EJO; NSC289487; JV64RB1EJO; CHEBI:51881; 2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione; NSC-289487; 2,5-bis[1-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-1,4-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis[1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-; 2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-; NSC 289487; Demethylasterriquinone A1; Demethyl-asterriquinone A1; SCHEMBL847899; CHEMBL1966265; DTXSID90209505; ZINC1565315; NCI60_002372; Q27122909; 2,5-bis[1-(1,1-dimethylallyl)indol-3-yl]-3,6-dihydroxy-1,4-benzoquinone; 2,4-dione, 2,5-bis[1-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-; 2,5-Bis-[1'-(1'',1''-dimethyl-2''-propenyl)-indol-3'-yl]-3,6-dihydroxy-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289487	.	.	.	.	506.6	C32H30N2O4	84.5	1010	5.8	38	2	4	6	"InChI=1S/C32H30N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27(35)29(37)26(30(38)28(25)36)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18,35,38H,1-2H2,3-6H3"	CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O	KMHWTYMNRHJTQG-UHFFFAOYSA-N
DG50823	Coumarin 30	100335	"Coumarin 30; 41044-12-6; 7-(diethylamino)-3-(1-methyl-1H-benzo[d]imidazol-2-yl)-2H-chromen-2-one; 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one; 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-; 7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin; 3-(2-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin; NSC290433; 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one; MLS000106045; MLS002702129; SMR000103016; 7-(DIETHYLAMINO)-3-(1-METHYL-1,3-BENZODIAZOL-2-YL)CHROMEN-2-ONE; CCRIS 4959; EINECS 255-186-8; NSC 290433; COUMARIN30; ChemDiv2_003295; Oprea1_444456; Oprea1_613472; CBDivE_006016; SCHEMBL457303; cid_100335; CHEMBL1520346; DTXSID6068272; BDBM79817; HMS1378F17; HMS2466I04; REGID_FOR_CID_100335; ZINC275242; Coumarin 30, Dye content 99 %; MFCD00051349; STK996890; 2H-1-Benzopyran-2-one,7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-; AKOS000505564; CID 100335; MCULE-8578450050; NSC-290433; AS-73053; DA-06046; NCI60_002384; CS-0094875; FT-0698396; Z2623; 044C126; A914213; SR-01000389309; SR-01000389309-1; 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)coumarin; 3-(2'-N-Methylbenzimidazolyl)-7-N,N-diethylaminocoumarin; 3-(N-methyl-benzoimidazol-2-yl)-7-(diethylamino)-coumarin; 7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-2-one; 7-(diethylamino)-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2H-chromen-2-one; 2-Oxylato-3-(1-methyl-3-azonia-1-aza-1H-indene-2-yl)-7-(diethyliminio)-7H-1-benzopyran"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290433	.	.	.	.	347.4	C21H21N3O2	47.4	560	4	26	0	4	4	"InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3"	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C	KZFUMWVJJNDGAU-UHFFFAOYSA-N
DG50824	"Cinnoline, 4-nitro-, 1-oxide"	100397	"13657-99-3; Cinnoline, 4-nitro-, 1-oxide; CHEMBL1983207; DTXSID30159838; ZINC1566757; NSC294846; NSC-294846; NCI60_002452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294846	.	.	.	.	191.14	C8H5N3O3	84.2	230	0.6	14	0	4	0	InChI=1S/C8H5N3O3/c12-10-7-4-2-1-3-6(7)8(5-9-10)11(13)14/h1-5H	C1=CC=C2C(=C1)C(=CN=[N+]2[O-])[N+](=O)[O-]	HEOBQABYEWTBLN-UHFFFAOYSA-N
DG50825	"N,N-Bis(2-chloroethyl)-p-toluidine"	100400	"N,N-Bis(2-chloroethyl)-4-methylaniline; 1204-68-8; N,N-Bis(2-chloroethyl)-p-toluidine; p-Toluidine, N,N-bis(2-chloroethyl)-; p-N,N-Di(2-chloroethyl)toluidine; Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-; CCRIS 2844; NSC 294980; BRN 2099441; N,N-Bis(2-chloroethyl)-4-methylbenzenamine; NSC294980; 3-12-00-02028 (Beilstein Handbook Reference); CHEMBL278918; SCHEMBL9889321; DTXSID30152849; p-Toluidine,N-bis(2-chloroethyl)-; ZINC1566827; N,N'-Bis(2-chloroethyl)-p-toluidine; NSC-294980; Benzenamine,N-bis(2-chloroethyl)-4-methyl-; Benzenamine, N,N-bis(2-chloroethyl)-4-methyl- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294980	.	.	.	.	232.15	C11H15Cl2N	3.2	138	3.3	14	0	1	5	"InChI=1S/C11H15Cl2N/c1-10-2-4-11(5-3-10)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3"	CC1=CC=C(C=C1)N(CCCl)CCCl	GDPRJMAJFSDBKX-UHFFFAOYSA-N
DG50826	"2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline"	100475	"51123-99-0; 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline; UNII-ZAL3KJ3AZC; ZAL3KJ3AZC; MLS003115820; WR 159412; WR-159412; 6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine; NSC305782; 2,4-Quinazolinediamine, 6-((3-(trifluoromethyl)phenyl)thio)-; 2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]thio]-; NCIMech_000537; NSC 305782; WR 159,412; CHEMBL268089; DTXSID00199145; 6-((3-(trifluoromethyl)phenyl)thio)quinazoline-2,4-diamine; BDBM50404678; CCG-35588; ZINC13282326; NSC-305782; NCI60_002591; SMR001831386; 2, 6-[[3-(trifluoromethyl)phenyl]thio]-; DS-003652; WR-159,412; 2,4-diamino-6-(5-trifluoromethylphenyl)-thioquinazoline; 6-((3-(Trifluoromethyl)phenyl)thio)-2,4-quinazolinediamine; 6-{[3-(trifluoromethyl)phenyl]sulfanyl}-2,4-quinazolinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305782	.	.	.	.	336.3	C15H11F3N4S	103	409	3.8	23	2	8	2	"InChI=1S/C15H11F3N4S/c16-15(17,18)8-2-1-3-9(6-8)23-10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)"	C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F	BFQQHTILCQZRGX-UHFFFAOYSA-N
DG50827	"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine"	100519	"NSC 311725; MLS003115915; 75477-69-9; CHEMBL1718995; DTXSID90226414; NSC311725; ZINC13282594; NSC-311725; SMR001831477; DS-012383; PYRIMIDINE,4-[(3,5-DINITRO-2-PYRIDINYL)THIO]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311725	.	.	.	.	279.23	C9H5N5O4S	156	347	1.5	19	0	8	2	InChI=1S/C9H5N5O4S/c15-13(16)6-3-7(14(17)18)9(11-4-6)19-8-1-2-10-5-12-8/h1-5H	C1=CN=CN=C1SC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]	DLXRYNHQBUMSAE-UHFFFAOYSA-N
DG50828	"5-Nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole"	100520	"NSC 311727; MLS000757011; 75464-90-3; SR-01000778562; SR-01000778562-2; 5-nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole; 4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyrimidine; cid_100520; CHEMBL1413680; BDBM62230; DTXSID00226400; HMS2784A18; ZINC1570386; NSC311727; 5-nitro-2-(4-pyrimidylthio)thiazole; 5-nitro-2-(4-pyrimidinylthio)thiazole; NSC-311727; NCGC00246962-01; SMR000449888; DS-014691; SR-01000778562-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311727	.	.	.	.	240.3	C7H4N4O2S2	138	238	2.1	15	0	7	2	InChI=1S/C7H4N4O2S2/c12-11(13)6-3-9-7(15-6)14-5-1-2-8-4-10-5/h1-4H	C1=CN=CN=C1SC2=NC=C(S2)[N+](=O)[O-]	SPNKLYOUOJJHBK-UHFFFAOYSA-N
DG50829	"Naphtho(2,1-b)furan, 4-methoxy-2-nitro-"	100603	"NSC329226; 75965-72-9; Naphtho(2,1-b)furan, 4-methoxy-2-nitro-; 4-Methoxy-2-nitronaphtho(2,1-b)furan; NSC-329226; 4-methoxy-2-nitronaphtho[2,1-b]furan; Naphtho[2,1-b]furan, 4-methoxy-2-nitro-; NSC 329226; 2-Nitro-4-methoxynaphtho(2,1-b)furan; Compound D15; NCIStruc1_000743; NCIStruc2_000701; CHEMBL7644; SCHEMBL8738468; BDBM22594; DTXSID60226860; ZINC1574602; CCG-37851; NCGC00014767; NCI329226; 4-methoxy-2-nitro-benzo[e]benzofuran; NCGC00014767-02; NCGC00097868-01; NCI60_002871; hydroxy(4-methoxynaphtho[2,1-b]furan-2-yl)azane oxide; 7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329226	.	.	.	.	243.21	C13H9NO4	68.2	329	3.7	18	0	4	1	"InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3"	COC1=CC2=CC=CC=C2C3=C1OC(=C3)[N+](=O)[O-]	FJXJAAFKONAPKR-UHFFFAOYSA-N
DG50830	Hepsulfam	100606	"Hepsulfam; 96892-57-8; 1,7-Heptanediol disulfamate; 7-sulfamoyloxyheptyl sulfamate; Sulfamic acid, 1,7-heptanediyl ester; Sulfamic acid 7-sulfamoyloxy-heptyl ester; UNII-971DU2GQ51; CHEMBL182440; heptane-1,7-diyl bis(sulfamate); 971DU2GQ51; NSC329680; NCI 329680;ZINC01574758; NSC 329680; sulfamic acid 1,7-heptanediyl ester; NSC-329680; 1,7-Heptanediol bissulfamate; SCHEMBL5409150; DTXSID90242619; ZINC1574758; BDBM50154471; HY-U00095; ZINC01574758; CS-7131; NCI 329680; SULFAMIC ACID,7-HEPTANEDIYL ESTER; NCI60_002882"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329680	.	.	.	.	290.4	C7H18N2O6S2	156	342	-0.3	17	2	8	10	"InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)"	C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N	GOJJWDOZNKBUSR-UHFFFAOYSA-N
DG50831	Violaceol i	100615	"violaceol i; ETHERICIN A; 68027-81-6; aspermutarubrol; violaceol-I; violacerol-I; 3-(2,3-dihydroxy-5-methylphenoxy)-5-methylbenzene-1,2-diol; CHEBI:64415; 3,3'-oxybis(5-methylbenzene-1,2-diol); NSC330927; 3,3'-Oxybis(5-methyl-1,2-benzenediol); 1,2-Benzenediol, 3,3'-oxybis(5-methyl-; MEGxm0_000129; CHEMBL2000711; ACon0_000595; ACon1_000731; DTXSID10218215; ZINC1574902; MCULE-5448702006; NSC 330927; NSC-330927; NCGC00169413-01; NCI60_002901; Q27133271"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330927	.	.	.	.	262.26	C14H14O5	90.2	270	2.8	19	4	5	2	"InChI=1S/C14H14O5/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,15-18H,1-2H3"	CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O	YRZXKRQRZJMBFT-UHFFFAOYSA-N
DG50832	9-Phenoxyacridine	100640	"9-phenoxyacridine; Acridine, 9-phenoxy-; 2148-14-3; MLS000758527; NSC337974; 9-(phenoxy)acridine; BIDD:GT0441; SCHEMBL455804; CHEMBL1569496; DTXSID80175760; HMS2799K18; ZINC3953394; AKOS017345236; NSC 337974; NSC-337974; NCGC00246963-01; SMR000449990"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337974	.	.	.	.	271.3	C19H13NO	22.1	317	5.1	21	0	2	2	InChI=1S/C19H13NO/c1-2-8-14(9-3-1)21-19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H	C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42	MFCLDPQGJMEEBE-UHFFFAOYSA-N
DG50833	Clomesone	100651	"Clomesone; 88343-72-0; Chlorethyl SOSO; 2-chloroethyl methanesulfonylmethanesulfonate; 2-Chloroethyl (methylsulfonyl)methanesulfonate; 2-chloroethyl methylsulfonylmethanesulfonate; SRI 6155; UNII-2J031W0YZI; NSC 338947; Methanesulfonic acid, (methylsulfonyl)-, 2-chloroethyl ester; (Methylsulfonyl)methanesulfonic acid 2-chloroethyl ester; 2J031W0YZI; Methanesulfonic acid, 1-(methylsulfonyl)-, 2-chloroethyl ester; NSC338947; BRN 3606917; NSC-338947; CHEMBL290487; SCHEMBL6461384; DTXSID10236979; ZINC1578321; NCI60_002990; 2-chloro (methylsulfonyl) methanesulfonate; DB-093750; Q27254805; Z2306534522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338947	.	.	.	.	236.7	C4H9ClO5S2	94.3	304	-0.3	12	0	5	5	"InChI=1S/C4H9ClO5S2/c1-11(6,7)4-12(8,9)10-3-2-5/h2-4H2,1H3"	CS(=O)(=O)CS(=O)(=O)OCCCl	SEHSPJCWCBQHPF-UHFFFAOYSA-N
DG50834	"2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-"	100655	"52238-94-5; 2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-; 4-[[2-Chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthoic acid; UNII-RI0VDF86W6; RI0VDF86W6; 4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid; 2-Naphthalenecarboxylic acid, 4-((2-chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-; 2-Naphthalenecarboxylic acid, 4-(2-(2-chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-; 4-((2-Chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-2-naphthalenecarboxylic acid; 4-[(E)-[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-naphthalene-2-carboxylic acid; 4-[[2-Chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthalenecarboxylic acid; 4-((2-Chloro-5-(trifluoromethyl)phenyl)azo)-3-hydroxy-2-naphthoic acid; 2-Naphthalenecarboxylic acid, 4-[2-[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxy-; EINECS 257-777-6; NSC339616; NSC 339616; CHEMBL1991337; CHEMBL4250125; DTXSID1068724; ZINC4776848; ZINC17129162; AKOS017344941; MCULE-5491651474; NSC-339616; NCI60_003013; W-111039; 4-(2-(2-Chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-2-naphthalenecarboxylic acid; 4-{(E)-[2-chloro-5-(trifluoromethyl)phenyl]diazenyl}-3-hydroxy-2-naphthoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339616	.	.	.	.	394.7	C18H10ClF3N2O3	82.2	575	6.2	27	2	8	3	"InChI=1S/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)"	C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)O	LFUPHTJXWMRCJO-UHFFFAOYSA-N
DG50835	Selenazofurin	100665	"Selenazofurin; 83705-13-9; 4-Selenazolecarboxamide, 2-beta-D-ribofuranosyl-; UNII-I5R2V02E8Z; CI-935; 2-beta-D-Ribofuranosyl-4-selenazolecarboxamide; I5R2V02E8Z; 2-beta-D-Ribofuranosylselenazole-4-Carboxamide; NSC 340847; BRN 4198668; NSC340847; NSC-340847; SCHEMBL3051767; CHEMBL3144001; DTXSID80232569; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-selenazole-4-carboxamide; PD-111232; Q27280480; 2-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-selenazole-4-carboxylic acid amide; 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-selenazole-4-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	340847	.	.	.	.	307.17	C9H12N2O5Se	126	305	.	17	4	6	3	"InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1"	C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	CKMBACZHCFMPLQ-DBRKOABJSA-N
DG50836	"Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	100668	"NSC341931; 82585-97-5; Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; CHEMBL9699; SCHEMBL11006975; DTXSID80231895; ZINC18189527; NSC 341931; NSC-341931; Ethyl (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate; ethyl N-[5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; NCI60_003031; (5-AMINO-3-(2,2-DIHYDRIPYRIDO[3,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER; Carbamic acid,4-dichlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]-, ethyl ester; N-[5-Amino-3-(2,4-dichlorophenyl)(1,2-dihydropyridino[5,4-b]pyrazin-7-yl)]ethoxycarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341931	.	.	.	.	380.2	C16H15Cl2N5O2	102	521	3.2	25	3	6	4	"InChI=1S/C16H15Cl2N5O2/c1-2-25-16(24)23-13-6-11-14(15(19)22-13)21-12(7-20-11)9-4-3-8(17)5-10(9)18/h3-6,20H,2,7H2,1H3,(H3,19,22,23,24)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)Cl)Cl)N	CPDQUPLLEBTHKX-UHFFFAOYSA-N
DG50837	"Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester"	100678	"87607-29-2; NSC344270; MLS000756883; Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,5-b]-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,3-b]-1,4-oxazin-7-yl)-, ethyl ester; NSC 344270; CHEMBL42209; SCHEMBL13327931; DTXSID20236521; ZINC5114817; Ethyl (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)carbamate; ethyl N-(5-amino-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate; NSC-344270; SMR000528978; DS-007386; Carbamic acid,3-b]-1,4-oxazin-7-yl)-, ethyl ester; Carbamic acid,5-b]-1,4-oxazin-7-yl)-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344270	.	.	.	.	312.32	C16H16N4O3	98.8	451	2	23	2	6	4	"InChI=1S/C16H16N4O3/c1-2-22-16(21)20-13-8-12-14(15(17)19-13)18-11(9-23-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,19,20,21)"	CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N	QRMBOSPEQFQJFS-UHFFFAOYSA-N
DG50838	"4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	100710	"MLS002701842; 75644-05-2; 4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; NSC351478; CHEMBL31742; SCHEMBL10976097; DTXSID40226565; ZINC1581928; NSC 351478; NSC-351478; NCI60_003139; SMR001565434; 4-Pyridazinecarbonitrile,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351478	.	.	.	.	386.2	C19H13Cl2N3O2	76.7	651	3.6	26	1	4	4	"InChI=1S/C19H13Cl2N3O2/c20-14-5-1-12(2-6-14)17-16(11-22)19(26)24(9-10-25)23-18(17)13-3-7-15(21)8-4-13/h1-8,25H,9-10H2"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCO)C#N)Cl	XYKMDIKOEHWYBP-UHFFFAOYSA-N
DG50839	"1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine"	100732	"78201-80-6; NSC355639; UNII-8XC2K63IJD; 8XC2K63IJD; 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine; 1-(4-(Diethylamino)benzyl)-4-hexyl-2,3-piperazinedione; 1-[4-(Diethylamino)benzyl]-4-hexyl-2,3-piperazinedione; NSC 355639; BRN 5766636; 1-(p-(Diethylamino)benzyl)-4-hexyl-2,3-piperazinedione; 2,3-Piperazinedione, 1-(p-(diethylamino)benzyl)-4-hexyl-; 1-((4-(Diethylamino)phenyl)methyl)-4-hexyl-2,3-piperazinedione; DTXSID20228840; ZINC5138847; 2,3-Piperazinedione, 1-((4-(diethylamino)phenyl)methyl)-4-hexyl-; NSC-355639; 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-piperazine-2,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355639	.	.	.	.	359.5	C21H33N3O2	43.9	443	4.1	26	0	3	10	"InChI=1S/C21H33N3O2/c1-4-7-8-9-14-23-15-16-24(21(26)20(23)25)17-18-10-12-19(13-11-18)22(5-2)6-3/h10-13H,4-9,14-17H2,1-3H3"	CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(CC)CC	CGAMLDQVUWMUSB-UHFFFAOYSA-N
DG50840	"Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester"	100760	"NSC362453; MLS002701859; 82232-19-7; Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester; Butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl]ethyl] ester; NSC 362453; Neuro_000199; CHEMBL1898656; DTXSID10231646; ZINC1585095; NSC-362453; Mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) butanedioate; NCI60_003311; SMR001565451; 4-[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]ethoxy]-4-oxo-butanoic acid; Butanedioic acid,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl]ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362453	.	.	.	.	486.3	C23H17Cl2N3O5	120	878	3.6	33	1	7	9	"InChI=1S/C23H17Cl2N3O5/c24-16-5-1-14(2-6-16)21-18(13-26)23(32)28(11-12-33-20(31)10-9-19(29)30)27-22(21)15-3-7-17(25)8-4-15/h1-8H,9-12H2,(H,29,30)"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)O)C#N)Cl	AKJTWZYTVPZSDW-UHFFFAOYSA-N
DG50841	"4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-"	100761	"75643-56-0; 79580-64-6; 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; UNII-JU6MSZ5XA8; NSC362454; JU6MSZ5XA8; 5,6-Bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-4-pyridazinecarbonitrile; MLS002701860; 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile; 5,6-Bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile; NSC 362454; Neuro_000200; CHEMBL287584; DTXSID40226560; ZINC1585096; AKOS030255011; NSC-362454; NCI60_003312; SMR001565452; DS-005507; 3-Deoxy-D-arabino-hexonic Acid Calcium Salt; 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2, 3-dihydro-2-(2-hydroxyethyl)-3-oxo-; 4-Pyridazinecarbonitrile,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-; 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-pyridazine-4-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362454	.	.	.	.	353.3	C19H13F2N3O2	76.7	651	2.5	26	1	6	4	"InChI=1S/C19H13F2N3O2/c20-14-5-1-12(2-6-14)17-16(11-22)19(26)24(9-10-25)23-18(17)13-3-7-15(21)8-4-13/h1-8,25H,9-10H2"	C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)F)CCO)C#N)F	ZTJLBJCCZJQZSD-UHFFFAOYSA-N
DG50842	"Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-"	100764	"NSC362868; 93371-94-9; Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-; NSC-362868; NSC 362868; Methanediamine, 1-(2-chlorophenyl)-N,N'-dipyrazinyl-; 2,2'-(o-Chlorobenzylidenediimino)dipyrazine; 1-(o-Chlorophenyl)-N,N'-di-(2-pyrazinyl)methylenediamine; NCIStruc1_001837; NCIStruc2_001985; Methanediamine,N'-dipyrazinyl-; CHEMBL1371917; DTXSID80239396; ZINC1585160; CCG-37024; NCGC00014828; NCI362868; NCGC00014828-02; NCGC00097929-01; NCI60_003317; DS-007963; (2-chlorophenyl)-N,N-di(2-pyrazinyl)methanediamine; 1-(2-Chlorophenyl)-n,n-dipyrazin-2-yl-methanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362868	.	.	.	.	312.76	C15H13ClN6	75.6	311	2.2	22	2	6	5	"InChI=1S/C15H13ClN6/c16-12-4-2-1-3-11(12)15(21-13-9-17-5-7-19-13)22-14-10-18-6-8-20-14/h1-10,15H,(H,19,21)(H,20,22)"	C1=CC=C(C(=C1)C(NC2=NC=CN=C2)NC3=NC=CN=C3)Cl	COJBKZKCFNWXGE-UHFFFAOYSA-N
DG50843	"Pyridino(1,2-a)imidazo(5,4-b)indole"	100767	"60067-39-2; NSC363438; Pyridino(1,2-a)imidazo(5,4-b)indole; NSC639381; 1,2-Piid; 5H-Pyrido(2',1':2,3)imidazo(4,5-b)indole; CHEMBL1983842; SCHEMBL10349259; DTXSID70208793; ZINC5117514; NSC 363438; NSC-363438; NCI60_003327; NCI60_013032; 5H-4a,5,10-Triaza-indeno[2,1-a]indene; 5H-Pyrido[2',1':2,3]imidazo[4,5-b]indole hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363438	.	.	.	.	207.23	C13H9N3	33.1	280	3.6	16	1	1	0	"InChI=1S/C13H9N3/c1-2-6-10-9(5-1)12-13(14-10)16-8-4-3-7-11(16)15-12/h1-8,14H"	C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3	PFKQNBQQGPVKNR-UHFFFAOYSA-N
DG50844	Sarmustine	100773	"Sarmustine; Sarcnu; 81965-43-7; 2-Chloroethyl-3-sarcosinamide-1-nitrosourea; Sarcosinamide chloroethylnitrosourea; UNII-BHB013S3MO; 1-(Carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitrosourea; NSC-364432; BHB013S3MO; NSC 364432; SarCNU; Sarcosinamide chloroethylnitrosourea; Sarcosinamide chloroethyl nitrosourea; NSC 364432; CCRIS 9380; Sar CNU; 2-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]acetamide; Urea, 1-(carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitroso-; CHEMBL166937; SCHEMBL11056837; DTXSID90231487; ZINC3811824; NSC364432; DB11688; NCI60_003356; Q27274664; 2-[{[(2-chloroethyl)(nitroso)amino]carbonyl}(methyl)amino]acetamide; Acetamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)-; Acetamide, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl] methylamino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364432	.	.	.	.	222.63	C6H11ClN4O3	96.1	235	-1	14	1	4	4	"InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)"	CN(CC(=O)N)C(=O)N(CCCl)N=O	HYHJFNXFVPGMBI-UHFFFAOYSA-N
DG50845	"2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-"	100790	"Coumarin 340; 53518-16-4; 2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-; NSC369289; 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one; CHEMBL268098; 4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one; 2H-Pyrano(3,2-g)quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-; NSC 369289; 4-(Trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one; C-4F; DTXSID5068863; ZINC1587098; BDBM50076697; NSC-369289; NCI60_003396"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369289	.	.	.	.	269.22	C13H10F3NO2	38.3	419	2.7	19	1	6	0	"InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2"	C1CC2=CC3=C(C=C2NC1)OC(=O)C=C3C(F)(F)F	XJDJBMLMMBPNGL-UHFFFAOYSA-N
DG50846	Magon	100814	"523-67-1; Magon; 2-[2-Hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo]phenol; Xylidyl blue II; Xylylazo Violet II; NSC374898; N-(2,4-dimethylphenyl)-3-hydroxy-4-[(2-hydroxyphenyl)diazenyl]naphthalene-2-carboxamide; Xylylazo Violet II [Spectrophotometric reagent for Mg]; (E)-N-(2,4-dimethylphenyl)-3-hydroxy-4-((2-hydroxyphenyl)diazenyl)-2-naphthamide; 1-Azo-2-hydroxy-3-(2,4-dimethylcarboxyanilido)naphthalene-1-(2-hydroxybenzene); EINECS 208-347-1; NCIMech_000575; CHEMBL2002567; SCHEMBL10882146; SCHEMBL21082741; SCHEMBL23257722; CCG-35568; CCG-35572; MFCD00014309; ZINC17142480; 3-Hydroxy-4-((2-hydroxyphenyl)azo)-N-(2,4-xylyl)naphthalene-2-carboxamide; AKOS003615262; ZINC100080130; ZINC100250858; ZINC100796702; ZINC254624545; MCULE-5910568743; NSC 374898; NSC-374898; LS-15094; NCI60_003508; DB-020286; FT-0632285; T71000; A829048; Xylidyl Blue II, 95%, Spectrophotometric reagent for Mg; 2-[2-Hydroxy-3-(2,4-xylylcarbamoyl)-1-naphthylazo] phenol; 1099088-22-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	374898	.	.	.	.	411.5	C25H21N3O3	94.3	642	6.4	31	3	5	4	"InChI=1S/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)"	CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4O)C	JSSROCUNTZVPCI-UHFFFAOYSA-N
DG50847	"1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one"	101108	"1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one; NSC626370; Neuro_000257; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-; Spiro[cyclopropane-1, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-; NSC-626370; NCI60_008312; 1,5-dihydroxy-2,2,5,7-tetramethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; 3',6'-dihydroxy-2',2',4',6'-tetramethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one; Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626370	.	.	.	.	248.32	C15H20O3	57.5	520	0.8	18	2	3	0	"InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3"	CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O	QVMDIQLUNODCTG-UHFFFAOYSA-N
DG50848	"1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one"	101109	"NSC626369; 1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one; Neuro_000256; NSC-626369; NCI60_008311; 1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626369	.	.	.	.	264.32	C15H20O4	77.8	540	0.1	19	3	4	1	"InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3"	CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O	DDLLIYKVDWPHJI-UHFFFAOYSA-N
DG50849	4-Fluoro-DL-tryptophan	101198	"4-Fluoro-DL-tryptophan; 25631-05-4; 2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid; 4-Fluorotryptophan; Tryptophan, 4-fluoro-; 4-Fluoro-D,L-tryptophan; 25631-17-8; NSC-529108; DL-4-FLUOROTRYPTOPHAN; NSC 529108; H-Trp(4-F)-OH; SCHEMBL1727642; CHEMBL4078473; SCHEMBL18029333; DTXSID30275961; 4-Fluoro-DL-tryptophan, crystalline; 5615AH; MFCD00039689; NSC529108; AKOS022929311; FS-6606; DB-046742; CS-0186533; FT-0618531; Dl-2-amino-3-(4-fluoroindolyl)propionic acid; A50405; F-6800; A817932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529108	.	.	.	.	222.22	C11H11FN2O2	79.1	275	-1.1	16	3	4	3	"InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)"	C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N	DEBQMEYEKKWIKC-UHFFFAOYSA-N
DG50850	Chimaphilin	101211	"Chimaphilin; 482-70-2; 2,7-Dimethyl-1,4-naphthoquinone; 2,7-dimethylnaphthalene-1,4-dione; Chimaphylin; Chimaphilin (6CI); UNII-U8Z086618U; 1, 2,7-dimethyl-; CHEBI:3595; U8Z086618U; AC1L2QCI; NSC 400245; CHEMBL495277; SCHEMBL3141540; DTXSID80197462; ZINC899240; NSC400245; AKOS006271751; NSC-400245; NCI60_003733; 1,4-Naphthoquinone, 2,7-dimethyl- (8CI); FT-0686583; [(1-isobutylpiperidin-4-yl)methyl]methylamine; 1,4-Naphthalenedione, 2,7-dimethyl- (9CI); 2,7-dimethyl-1,4-dihydronaphthalene-1,4-dione; 482C702; Q27106145"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400245	.	.	.	.	186.21	C12H10O2	34.1	314	2.6	14	0	2	0	"InChI=1S/C12H10O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-6H,1-2H3"	CC1=CC2=C(C=C1)C(=O)C=C(C2=O)C	YZACZIYTZCJVSN-UHFFFAOYSA-N
DG50851	2'-Deoxy-2'-fluorocytidine	101507	"2'-Deoxy-2'-fluorocytidine; 10212-20-1; 2'-Fluoro-2'-deoxycytidine; Cytidine, 2'-deoxy-2'-fluoro-; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-Deoxy-2-fluorocytidine; UNII-LCY080JPY9; LCY080JPY9; MFCD00057445; 2'-Deoxy-2'-fluoro Cytidine; NSC529432; FDC; NSC 529432; 2'deoxy-2'-fluorocytidine; SCHEMBL233120; CHEMBL374528; 2\\'-Deoxy-2\\'-fluorocytidine; 2'-deoxy-2'-(R)-fluoro-cytidine; ZINC3817231; HG1103; AKOS015854842; AKOS015896915; .beta.-D-2'-Deoxy-2'-fluorocytidine; ACN-055192; HY-W012009; NCGC00370855-01; 4-amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; AS-59691; 212D201; Q27282917; 3-[(2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529432	.	.	.	.	245.21	C9H12FN3O4	108	386	-1.1	17	3	5	2	"InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1"	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F	NVZFZMCNALTPBY-XVFCMESISA-N
DG50852	6-alpha-Fluoro-isoflupredone	101859	"6-alpha-Fluoro-isoflupredone; 806-29-1; NSC77021; (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 6alpha,9alpha-difluoroprednisolone; 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione; MLS002701913; EINECS 212-360-8; NSC 77021; 6a-Fluoro-isoflupredone; 6--Fluoro-isoflupredone; SCHEMBL3765700; CHEMBL1967506; 6.alpha.,9-Difluoroprednisolone; ZINC4887575; NSC-77021; 6; A,9; A-difluoro-11; A,17; A,21-tribydroxy-1,4-pregnadiene-3,20-dione; AKOS025402049; AC-3529; C21H26F205; 6.alpha.,9.alpha.-Difluoroprednisolone; AS-59362; NCI60_041694; CS-0199244; X1063; 806F291; A854253; Q-101390; Pregna-1,20-dione, 6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-; Pregna-1,20-dione, 6,9-difluoro-11,17,21-trihydroxy-, (6.alpha.,11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77021	.	.	.	.	396.4	C21H26F2O5	94.8	809	1.4	28	3	7	2	"InChI=1S/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O	ABUISBDTYAZRHY-RBKZJGKHSA-N
DG50853	Basic blue 6	101929	"Basic blue 6; 7057-57-0; Meldola blue; 966-62-1; UNII-CP2ST8ED1O; C.I. Basic Blue 6; 8-Dimethylamino-2,3-benzophenoxazine hemi(zinc chloride) salt; CP2ST8ED1O; 9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride; NSC9291; benzo[a]phenoxazin-9-ylidene(dimethyl)azanium;chloride; Benzo[a]phenoxazin-7-ium, 9-(dimethylamino)-, chloride; Meldola; Zinc chloride, compd. with 9-(dimethylamino)benzo[a]phenoxazin-7-ium chloride; Basic Leather Blue D; C.I. Basic Blue 6 (VAN); Naphthol blue (VAN); 9-(Dimethylamino)benzo(a)phenoxazin-7-ium chloride; Benzo(a)phenoxazin-7-ium, 9-(dimethylamino)-, chloride; Benzo(a)phenoxazin-7-ium, 9-(dimethylamino)-, chloride (1:1); Benzo[a]phenoxazin-7-ium, 9-(dimethylamino)-, chloride (1:1); C18H15N2O.Cl; NSC 9291; EINECS 213-524-1; SCHEMBL94089; Benzo(a)phenazoxonium, 9-(dimethylamino)-, chloride; Benzo(a)phenoxazinium, 9-(dimethylamino)-, chloride; Benzo[a]phenoxazinium, chloride; CHEMBL2002549; 9-(dimethylamino)benzo[a]phenazin-7-ium zinc(II) chloride; DTXSID40874040; NSC-9291; 6440AF; AKOS000283022; AKOS024306961; MCULE-4720236401; CI 51175; DB-055431; N,N-dimethylbenzo[a]phenoxazin-7-ium-9-amine; Q27275599; 9-(Dimethylamino)benzo(alpha)phenoxazin-7-ium chloride; Benzo(alpha)phenoxazin-7-ium,9-(dimethylamino)-, chloride; n-(9h-benzo[a]phenoxazin-9-ylidene)-n-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9291	.	.	.	.	310.8	C18H15ClN2O	24.6	566	.	22	0	3	0	"InChI=1S/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1"	C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]	HWYNRVXFYFQSID-UHFFFAOYSA-M
DG50854	Capri Blue	102162	"Capri Blue; CAPRIBLUE; 1787-57-1; Blue Capri; Capriblau [German]; Capriblau; [7-(dimethylamino)-2-methylphenoxazin-3-ylidene]-diethylazanium;chloride; NSC 7821; 3-(Diethylamino)-7-(dimethylamino)-2-methylphenazoxonium chloride; Phenoxazin-5-ium, 3-(diethylamino)-7-(dimethylamino)-2-methyl-, chloride; DTXSID70939111; NSC7821; NSC-7821; WLN: T C666 BO EY INJ EUK1&1 MN1&1 &G; [6-(Dimethylamino)-3H-phenoxazin-3-ylidene]dimethylammonium chloride; 3-(Diethylamino)-7-(dimethylamino)-2-methylphenoxazin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7821	.	.	.	.	345.9	C19H24ClN3O	27.8	592	.	24	0	4	3	"InChI=1S/C19H24N3O.ClH/c1-6-22(7-2)17-12-19-16(10-13(17)3)20-15-9-8-14(21(4)5)11-18(15)23-19;/h8-12H,6-7H2,1-5H3;1H/q+1;/p-1"	CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(C)C)C=C1C)CC.[Cl-]	QQOPAWAPLFHEEP-UHFFFAOYSA-M
DG50855	7-Ethyl-10-hydroxycamptothecin	104842	"7-Ethyl-10-hydroxycamptothecin; 86639-52-3; SN-38; SN 38 lactone; SN 38; (S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 10-Hydroxy-7-ethylcamptothecin; SN38; 7-Ethyl-10-hydroxy-20(S)-camptothecin; UNII-0H43101T0J; NK012; NK 012; NK-012; CHEBI:8988; 113015-38-6; 7-Ethyl-10-hydroxy camptothecin; NSC673596; 0H43101T0J; (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; (+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN; (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; C22H20N2O5; 7-Ethyl-10-hydroxycamptothecine; 7-ethyl-10-hydroxy-20(s)-campthothecin; LE-SN38; Captothecin, 7-ethyl-10-hydroxy-; 110714-48-2; AvaChem1025; diethyl(dihydroxy)[ ]dione; SN 38- Bio-X; SCHEMBL34018; Irinotecan related compound b; GTPL6925; DTXSID4040399; 10-hydroxy-7-ethyl camptothecin; 10-hydroxy-7-ethyl-camptothecin; 7-Ethyl-10-hydroxy campthotecin; EX-A989; HMS3413B12; HMS3652P12; HMS3677B12; AOB33769; BCP01386; ZINC4099013; 7-Ethyl-10-hydroxy-20(S)-CPT; BDBM50418088; IT-141; s4908; AKOS015920433; SN-38(NK-012); AC-1357; BCP9000200; CCG-264764; CS-1579; DB05482; LS00055; MCULE-4181372030; NSC-673596; NCGC00167831-01; NCGC00167831-05; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione; AS-13533; BE164132; BP-24513; HY-13704; I605; NCI60_026056; 7-Ethyl-10-hydroxy-20-(S)-camptothecine; E0748; N2133; SW219948-1; J90015; 439E812; A857464; Q-100871; Q1750127; 7-Ethyl-10-hydroxycamptothecin, >=98% (HPLC), powder; Irinotecan Related Compound B, United States Pharmacopeia (USP) Reference Standard; (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, AldrichCPR; (4S)-4,9-Dihydroxy-4,11-diethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;SN-38; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-; 7-Ethyl-10-hydroxycamptothecin ((S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione); H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-; RS4"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673596	.	.	.	.	392.4	C22H20N2O5	100	820	1.4	29	2	6	2	"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O	FJHBVJOVLFPMQE-QFIPXVFZSA-N
DG50856	10-Aminocamptothecin	104986	"10-Aminocamptothecin; 86639-63-6; Camptothecin, 10-amino-; CHEMBL102252; (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione; (4s)-9-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione; (19S)-7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (S)-; 10-amino-20(S)-camptothecin; SCHEMBL1727366; ANTINEOPLASTIC-652524; ZINC1587127; BDBM50406990; NSC652524; NSC-652524; 639A636; (S)-9-amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	652524	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O	MVUUMBZAHAKPKQ-FQEVSTJZSA-N
DG50857	"3,9,15-Tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone"	105014	"Beauvericin; 26048-05-5; SCHEMBL6452789; CHEMBL1977672; Beauvericin, >=97% (HPLC); 2-AMINO-5-PHENOXYBENZOICACID; NSC708472; NSC-708472; 3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone; NCI60_038416; DB-046823; FT-0602893; J3.537.719K; Beauvericin, VETRANAL(TM), analytical standard; Cyclo(D-  -Hydroxyisovaleryl-L-N-methyl-Phe)3; J-016236; 1,13-Trioxa-4,10,16-triazacyclooctadecane, cyclic peptide deriv.; 2,8,14-Triisopropyl-4,10,16-trimethyl-5,11,17-tribenzyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,6,9,12,15,18-hexaone; Cyclo(D-.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl-D~ -.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl-D-.alpha.-hydroxyisovaleryl-N-methyl-L-phenylalanyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	708472	.	.	.	.	783.9	C45H57N3O9	140	1200	8.4	57	0	9	9	"InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3"	CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C	GYSCAQFHASJXRS-UHFFFAOYSA-N
DG50858	"4-Oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid"	105031	"Artesunate; 182824-33-5; 88495-63-0; 4-Oxo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]butanoic acid; 4-Oxo-4-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid; NSC-712571; Dihydroqinghaosusuccinate; CHEMBL1967249; SCHEMBL12922911; NSC712571; MCULE-1229071455; LS-14742; NCI60_039350; DB-057077"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	712571	.	.	.	.	384.4	C19H28O8	101	623	2.5	27	1	8	5	"InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)"	CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C	FIHJKUPKCHIPAT-UHFFFAOYSA-N
DG50859	Setoglaucine	107404	"Setoglaucine; Basic Blue 1; 3521-06-0; Primocyanine 6GX; Setoglaucin; C.I. Basic Blue 1; Setogalucine O; Setoglaucine O; Astrazon Blue G; Azure Blue G; Basic Blue G; Basic Blue DSC; Basic Cyanine 6G; Genacryl Blue 6G; Lithosol Blue 6G; Rhoduline blue 6G; Rhoduline Blue CG; Basic Blue 6G; Brilliant Blue 6G; Calcozine Blue 6G; Primocyanine 6 GX; Rhoduline Blue 6GA; New Fast Green 3B; Sandocryl Blue B-6G; Hidaco Basic Blue 6G; Hidaco Basic Blue 10G; Astra Rhoduline Blue 6G; Arlobas Cyanine Blue 6GN; Acronol Brilliant Blue 6G; Sumitomo Basic Cyanine 6G; Mitsui Brilliant Cyanine 6GX; Methylene Turquoise JSA Extra; Acronol Brilliant Lake Blue 6G; Aizen Brilliant Basic Cyanine 6GH; NSC 83193; UNII-92N74OA24D; 92N74OA24D; NSC83193; NSC-83193; N-(4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride; (4-((2-Chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium chloride; [4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride; Methanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1); C23H24ClN2.Cl; Rhoduline Blue; CCRIS 9486; Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride (1:1); EINECS 222-531-9; Brilliant Basic Cyanine; C.I. Basic Blue-1; AI3-22668; SCHEMBL9574926; C.I. Basic Blue 1 (8CI); DTXSID30883984; 6663AF; MFCD00050260; AKOS000282962; MCULE-1107517890; C.I. 42025; P0598; D91980; Methanaminium, N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, chloride; N-(4-((2-chlorophenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83193	.	.	.	.	399.4	C23H24Cl2N2	6.2	557	.	27	0	2	3	"InChI=1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]	GRPFBMKYXAYEJM-UHFFFAOYSA-M
DG50860	Destruxin E	107863	"Destruxin E; NSC361127; CHEMBL2005348; DTXSID70997998; NSC-361127; NCI60_003291; 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-6-(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-te"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361127	.	.	.	.	593.7	C29H47N5O8	158	1050	1.2	42	2	8	5	"InChI=1S/C29H47N5O8/c1-8-17(4)23-28(39)33(7)24(16(2)3)29(40)32(6)18(5)25(36)30-12-11-22(35)42-21(14-19-15-41-19)27(38)34-13-9-10-20(34)26(37)31-23/h16-21,23-24H,8-15H2,1-7H3,(H,30,36)(H,31,37)"	CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C	NIAYGGCQOYIHAF-UHFFFAOYSA-N
DG50861	Otenzepad	107867	"Otenzepad; AF-DX 116; 102394-31-0; Otenzepad, (+)-; AF-DX-116; UNII-SX2WTG9R3Z; UNII-WW6A9TFL2C; SX2WTG9R3Z; WW6A9TFL2C; 11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one; 11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE; CHEMBL17045; 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 100158-38-1; NSC664529; 121029-35-4; NCGC00025002-02; DSSTox_CID_25674; DSSTox_RID_81048; DSSTox_GSID_45674; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-(2-(2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS]; Otenzepad [INN]; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-;6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-; SMR000466280; CAS-102394-31-0; BRN 4212983; 11-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; Otenzepad, (-)-; Z-L-tyrosinemethylester; afdx-116; AFDX116; GTPL309; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-; MLS000758304; MLS001424139; SCHEMBL341879; AF-DX 116 BS; DTXSID0045674; AF-DX-250; CHEBI:111174; HMS2051L18; HMS3267K08; HMS3393L18; HMS3412I07; HMS3676I07; CEA39431; Tox21_110942; BDBM50018056; PDSP1_000468; PDSP1_000944; PDSP2_000466; PDSP2_000930; AKOS022180220; Tox21_110942_1; CCG-101052; NC00302; NSC-664529; AF-DX 116,(+/-); NCGC00025002-03; NCGC00025002-04; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2-((diethylamino)methyl)-7-piperidinyl)acetyl)-; NCI60_022223; HY-101381; AF-DX 116, >=98% (HPLC); CS-0021266; FT-0762040; L023945; SR-01000597383; J-000681; SR-01000597383-1; BRD-A00520476-001-03-3; Q27088218; (+)-11-[[2-[(Diethylamino)methyl-]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; (-)-11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; (AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one; 11-[[2-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11,-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one; 11-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one; 122467-13-4; 2-Diethylaminomethyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperidinium; 5-{2-[2-(2-Dipropylamino-ethyl)-piperidin-1-yl]-acetyl}-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (+)-; 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-, (-)-; 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one,11-[2-[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664529	.	.	.	.	421.5	C24H31N5O2	68.8	625	2	31	1	5	6	"InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)"	CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4	UBRKDAVQCKZSPO-UHFFFAOYSA-N
DG50862	Triptolide	107985	"triptolide; 38748-32-2; Triptolid; NSC 163062; PG490; UNII-19ALD1S53J; 19ALD1S53J; CHEBI:9747; CHEMBL463763; MFCD00210565; PG-490; NSC-163062; PG 490; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one; (6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one.; SMR000466307; NSC163062; Triptolide, 1; CPD000466307; BSPBio_001595; KBioGR_000315; KBioSS_000315; MLS000759410; MLS001424107; MLS006010844; SCHEMBL413634; DTXSID5041144; KBio2_000315; KBio2_002883; KBio2_005451; KBio3_000629; KBio3_000630; s493; Bio2_000315; Bio2_000795; HMS1361P17; HMS1791P17; HMS1989P17; HMS2051N13; HMS3402P17; TPL; ZINC8234271; BDBM50241049; s3604; AKOS022168197; AM84923; CCG-100957; CS-0286; DB12025; NC00207; IDI1_034065; NCGC00163411-01; NCGC00163411-02; NCGC00163411-03; NCGC00163411-07; BP-25386; BS-16697; HY-32735; NCI60_001223; PG490;PG 490;PG-490; Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-; T2899; C09204; AB00639938-06; AB00639938-08; 748T322; Q906351; Q-100450; BRD-K39484304-001-02-5; BRD-K39484304-001-06-6; BRD-K39484304-001-16-5; Triptolide, Tripterygium wilfordii - CAS 38748-32-2; (1S,2S,4S,5S,7R,8R,9S,11S)-8-Hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one; (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-Hydroxy-8a-isopropyl-10b-methyl-1,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(2H)-one; (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one; 144539-79-7; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-; Trisoxireno[4b,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, [3bR-(3b.alpha.,4a.alpha.,5aS*,6.beta.,6a.beta.,7a.beta.,7b.alpha.,8aS*,8b.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163062	.	.	.	.	360.4	C20H24O6	84.1	819	0.2	26	1	6	1	"InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1"	CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C	DFBIRQPKNDILPW-CIVMWXNOSA-N
DG50863	"Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide"	110653	"NSC3284; 5392-30-3; Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide; NSC-3284; Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, dibromide; WLN: T6NJ C- BT5KTJ A1 A2- AT5KTJ A1 B- CT6NJ &Q 2 &I 2; Probes1_000290; Probes2_000236; CHEMBL1978965; DTXSID50968707; NSC11518; NSC-11518; 1,1'-(Ethane-1,2-diyl)bis[1-methyl-2-(pyridin-3-yl)pyrrolidin-1-ium]; 3-(1-methyl-1-(2-(1-methyl-2-(3-pyridinyl)-15-pyrrolidin-1-yl)ethyl)-15-pyrrolidin-2-yl)pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3284	.	.	.	.	352.5	C22H32N4+2	25.8	427	2.2	26	0	2	5	"InChI=1S/C22H32N4/c1-25(13-5-9-21(25)19-7-3-11-23-17-19)15-16-26(2)14-6-10-22(26)20-8-4-12-24-18-20/h3-4,7-8,11-12,17-18,21-22H,5-6,9-10,13-16H2,1-2H3/q+2"	C[N+]1(CCCC1C2=CN=CC=C2)CC[N+]3(CCCC3C4=CN=CC=C4)C	MJRIWDXWCJJQJG-UHFFFAOYSA-N
DG50864	Phimm	110719	"PIMM; PHIMM; NSC22201; 5834-81-1; NSC 22201; NSC-22201; AKOS024429071; Mercury, (1,2,3,4,7,7-hexachlorobicyclo(2.2.1)hept-2-ene-5,6-dicarboximido)phenyl-; N-(Phenylmercuri)-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)heptene-5-dicarboximide; WLN: T C555 A DVNV IUTJ AG AG BG E-HG-R& HG IG JG; Mercury,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximido)phenyl-; 1,4,5,6,7,7-HEXACHLORO-N-(PHENYLMERCURI)BICYCLO(2.1)HEPT-5-ENE-2,3-DICARBOXIMIDE; Mercury, (1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximidato)-phenyl-; Mercury, (1,4,5,6,7,7-hexachloro-5-norbornene-2,3-dicarboximido)phenyl- (8CI); Mercury,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboximido)phenyl-; N-(Phenylmercuri)-1,5,6,7,7-hexachlorobicyclo[2.2.1]heptene-5-dicarboximide; Mercury, (4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dionato-N2)phenyl- (9CI); Mercury,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dionato-N2)phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22201	.	.	.	.	646.5	C15H7Cl6HgNO2	37.4	662	.	25	0	2	2	"InChI=1S/C9H3Cl6NO2.C6H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2-4-6-5-3-1;/h1-2H,(H,16,17,18);1-5H;/q;;+1/p-1"	C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl	FNZAAEDNGCUHJL-UHFFFAOYSA-M
DG50865	"1,2-Propanediol, 3-(octyloxy)-"	112041	"3-octoxypropane-1,2-diol; 10438-94-5; 1,2-Propanediol, 3-(octyloxy)-; caprylyl glyceryl ether; 3-(Octyloxy)-1,2-propanediol; octyl glyceryl ether; NSC625447; Octyl-sepharose; 69106-60-1; 1-Glyceryloctyl ether; 1-O-Octylglycerol; Octylagarose CL-4B; Octylsepharose CL-4B; OCTYL RESIN; monooctyl glyceryl ether; Octyl-sepharose CL-4B; SCHEMBL117825; CHEMBL1974894; DTXSID50874273; 3-[(octyl)oxy]-1,2-propanediol; 3-OCTYLOXY-PROPANE-1,2-DIOL; AKOS024390817; MCULE-3516482068; NSC-625447; NCI60_007851; 3-(octyloxy)-1,2-propanediol, AldrichCPR; Q27284049; Sepharose CL 4B, 2-hydroxy-3-(octyloxy)propyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625447	.	.	.	.	204.31	C11H24O3	49.7	107	2.2	14	2	3	10	"InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-14-10-11(13)9-12/h11-13H,2-10H2,1H3"	CCCCCCCCOCC(CO)O	GUPXYSSGJWIURR-UHFFFAOYSA-N
DG50866	"3-(4-Bromophenoxy)propane-1,2-diol"	113926	"3-(4-Bromophenoxy)propane-1,2-diol; 63834-59-3; 3-(p-Bromophenoxy)-1,2-propanediol; NSC635830; (S)-3-(4-Bromophenoxy)propane-1,2-diol; 1056027-43-0; EINECS 264-503-9; BRN 2260311; 1,2-Propanediol, 3-(p-bromophenoxy)-; 4-06-00-01049 (Beilstein Handbook Reference); SCHEMBL1496588; CHEMBL1994750; DTXSID60980455; MFCD01698162; 3-(4-Bromophenoxy)-1,2-propanediol; AKOS017547897; NSC-635830; AS-30619; NCI60_011924; rac-3-(4-bromophenyloxy)propane-1,2-diol; CS-0322746"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635830	.	.	.	.	247.09	C9H11BrO3	49.7	135	1.3	13	2	3	4	"InChI=1S/C9H11BrO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2"	C1=CC(=CC=C1OCC(CO)O)Br	FZGZDDRZAZBANV-UHFFFAOYSA-N
DG50867	3-Aminopropylisothiuronium	113994	"3-Aminopropylisothiuronium; 3-aminopropyl carbamimidothioate; 7320-57-2; 3-Aminopropyl imidothiocarbamate; NSC62857; 3-Aminopropylisothiourea dihydrobromide; 7072-40-4; S-(3-Aminopropyl)thiuronium dihydrobromide; 3-Aminopropylisothiuronium bromide hydrobromide; 3-Apt; Pseudourea, 2-(3-aminopropyl)-2-thio-, dihydrobromide; S-(3-Aminopropyl)isothiourea; S-(3-Aminopropyl)isothiuronium; NSC-62857; S-aminopropylisothiourea; (3-Aminopropyl)thiopseudourea dihydrobromide; BRN 1749749; Pseudourea, 2-(3-aminopropyl)-2-thio-; S-(aminopropyl)isothiourea; 3-Aminopropylisothiuronium-; NCIStruc1_000390; NCIStruc2_000513; 2-(3-aminopropyl)isothiourea; 4-04-00-01657 (Beilstein Handbook Reference); (3-Aminopropyl)thiopseudourea-; SCHEMBL9197363; CHEMBL1434251; A 21818 (*Dihydrobromide*); Carbamimidothioic acid, 3-aminopropyl ester, dihydrobromide; DTXSID10223440; NCI62857; ZINC3954084; CCG-36236; NCGC00013735; AKOS006222289; APT (radioprotective)(*dihydrobromide*); NCGC00013735-02; NCGC00096846-01; NCI60_009211; Carbamimidothioic acid, 3-aminopropyl ester-; Carbamimidothioic acid, 3-aminopropyl ester (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62857	.	.	.	.	133.22	C4H11N3S	101	73.7	-0.4	8	3	3	4	"InChI=1S/C4H11N3S/c5-2-1-3-8-4(6)7/h1-3,5H2,(H3,6,7)"	C(CN)CSC(=N)N	ABXZHBOLRVUXPK-UHFFFAOYSA-N
DG50868	"1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol"	115023	"6035-39-8; 1-(Diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-2-propanol; Netoxon; Nitroakridin 3582; Nitroacridine 3582; 2-Propanol, 1-(diethylamino)-3-((2,3-dimethoxy-6-nitro-9-acridinyl)amino)-; 2-Propanol, 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitro-9-acridinyl)amino]-; NSC13003; BRN 0370438; nitroacridine-3582; 9-((3-Diethylamino-2-hydroxypropyl)amino)-2,3-dimethoxy-6-nitroacridin; 4-21-00-06563 (Beilstein Handbook Reference); CHEMBL529691; SCHEMBL2544885; DTXSID20975761; 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol; W-1889; Q27266406; 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitro-acridin-9-yl)amino]propan-2-ol; 1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9(10H)-ylidene)amino]propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13003	.	.	.	.	428.5	C22H28N4O5	113	573	3.4	31	2	8	9	"InChI=1S/C22H28N4O5/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24)"	CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O	CUFPWHJUFXFYBJ-UHFFFAOYSA-N
DG50869	"N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine"	116416	"64048-65-3; NSC240529; DTXSID40982290; N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine; p-Benzoquinoneimine, N-(p-(di-2''-chloroethylamino)phenyl)-3,5-dimethyl-; NSC-240529; 2, 4-[[4-[bis(2-chloroethyl)amino]phenyl]imino]-2,6-dimethyl-; 4-({4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}IMINO)-2,6-DIMETHYLCYCLOHEXA-2,5-DIEN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240529	.	.	.	.	351.3	C18H20Cl2N2O	32.7	487	3.9	23	0	3	6	"InChI=1S/C18H20Cl2N2O/c1-13-11-16(12-14(2)18(13)23)21-15-3-5-17(6-4-15)22(9-7-19)10-8-20/h3-6,11-12H,7-10H2,1-2H3"	CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=C(C1=O)C	ZRDXRTAXSVPVHX-UHFFFAOYSA-N
DG50870	"2,3-Bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate"	118294	"69483-37-0; 2,3-bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate; 2,3-dihexadecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate; 1,2-Di-O-hexadecyl-rac-glycero-3-phosphocholine; 1,2-O,O'-dihexadecyl-rac-glycero-3phosphocholine; 36314-47-3; EINECS 274-018-4; NSC606171; 1,2-O-DIHEXADECYL-RAC-GLYCERO-3-PHOSPHOCHOLINE; SCHEMBL2733343; CHEMBL1973829; DTXSID10957677; sn-3-dihexadecyl-phosphatidylcholine; EINECS 252-968-0; NSC-606171; (1)-((7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl))trimethylammonium 4-oxide; FT-0732448; D-3230; D-3235; 2,3-bis(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate; (R)-(7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide; 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606171	.	.	.	.	706.1	C40H84NO6P	77	681	14.2	48	0	6	40	"InChI=1S/C40H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3"	CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC	MWTIGLPPQBNUFP-UHFFFAOYSA-N
DG50871	C.I. Basic Blue 3	118408	"Basic Blue 3; 33203-82-6; C.I. Basic Blue 3; Phenoxazin-5-ium, 3,7-bis(diethylamino)-, chloride; 3,7-Bis(diethylamino)phenoxazin-5-ium chloride; UNII-H82L80329Y; H82L80329Y; [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;chloride; BASICBLUE3; Phenoxazin-5-ium, 3,7-bis(diethylamino)-, chloride (1:1); CCRIS 2449; EINECS 251-403-5; NSC 409100; BB 3 dye; 7-(N,N-Diethylamino)phenoxazine-3-N,N-diethyliminium chloride; CHEMBL389921; SCHEMBL2854081; 7-(N,N-diethyliminium chloride; DTXSID30873926; C.I. 51004 Basic Blue 3; Basic Blue 3, Dye content 25 %; MFCD00011928; NSC367084; NSC409100; AKOS015894697; NSC-367084; NSC-409100; 55840-82-9; 3,7-Bis(Diethylamino)Phenoxazinium Chloride; Phenoxazin-5-ium,7-bis(diethylamino)-, chloride; J-019081; Q27279744; [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium,chloride; Ethanaminium, N-(7-(diethylamino)-3H-phenoxazin-3-ylidene)-N-ethyl-, chloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367084	.	.	.	.	359.9	C20H26ClN3O	27.8	533	.	25	0	4	5	"InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1"	CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]	IURGIPVDZKDLIX-UHFFFAOYSA-M
DG50872	"alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol"	119555	"Rsu 1164; 88876-94-2; 1-(2,3-dimethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol; alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol; 1-(2,3-dimethylaziridin-1-yl)-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol; NSC601351; 1-(2,3-Dimethyl-1-aziridinyl)-3-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)-2-propanol; MLS000766262; NSC600667; CHEMBL1311017; SCHEMBL10966055; DTXSID701008545; HMS2885D12; 1-(2-Nitro-1-imidazoly)-3-(2,3-dimethylaziridino)-2-propanol; SMR000528862; 1H-Imidazole-1-ethanol, alpha-((2,3-dimethyl-1-aziridinyl)methyl)-2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601351	.	.	.	.	240.26	C10H16N4O3	86.9	288	0.8	17	1	5	4	"InChI=1S/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3"	CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C	VKUQQJFQNDTATQ-UHFFFAOYSA-N
DG50873	Colchicide	120712	"Colchicide; COLCHICIDE.HCL; Colchicide hydrochloride; 86436-50-2; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide; NSC352277; 518-15-0; 10-Demethoxycolchicine; Colchicide HCL; BRN 2823461; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)acetamide; NSC 352277; Neuro_000186; (S)-N-(5,6,7,9-Tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide; 4-14-00-00919 (Beilstein Handbook Reference); SCHEMBL1899187; CHEMBL2006336; DTXSID50966122; N-(1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide; NSC-352277; Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-; N-(1,2,3-Trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)ethanimidic acid; Acetamide, N-(5,6,7,9-tetrahydro-1,2, {3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-,} hydrochloride, (S)-; Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, hydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352277	.	.	.	.	369.4	C21H23NO5	73.9	680	1.3	27	1	5	4	"InChI=1S/C21H23NO5/c1-12(23)22-17-9-8-13-10-18(25-2)20(26-3)21(27-4)19(13)15-7-5-6-14(24)11-16(15)17/h5-7,10-11,17H,8-9H2,1-4H3,(H,22,23)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)OC	NXPCQFIROMOQEV-UHFFFAOYSA-N
DG50874	Sarveroside	120725	"Sarveroside; 545-36-8; Sarverosid [German]; Sarverosid; Sarverogenin-D-sarmentosid [German]; Sarverogenin-D-sarmentosid; Sarreroside; 3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,15-epoxycard-20(22)-enolide; DTXSID80969681; NSC123978; 5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-xylo-D-hexopyranosyl)oxy)-11-alpha,14-dihydroxy-7-beta,8-epoxy-; FT-0687935; 9,10b-Dihydroxy-8a,10a-dimethyl-10-oxo-1-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-1H-benzo[f]indeno[1,7,6-bcd][1]benzofuran-6-yl 2,6-dideoxy-3-O-methylhexopyranoside #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123978	.	.	.	.	562.6	C30H42O10	141	1120	0.4	40	3	10	4	"InChI=1S/C30H42O10/c1-13-25(32)19(36-4)11-22(38-13)39-16-5-6-28(2)15(8-16)9-18-23-24(28)26(33)27(34)29(3)17(14-7-21(31)37-12-14)10-20(40-18)30(23,29)35/h7,13,15-20,22-26,32-33,35H,5-6,8-12H2,1-4H3"	CC1C(C(CC(O1)OC2CCC3(C(C2)CC4C5C3C(C(=O)C6(C5(C(O4)CC6C7=CC(=O)OC7)O)C)O)C)OC)O	XYPIGUUTGMMFPH-UHFFFAOYSA-N
DG50875	2-Chloro-3-(phenylsulfonyl)propanenitrile	121458	"2-Chloro-3-(phenylsulfonyl)propanenitrile; 1424-50-6; 2-Chloro-3-(phenylsulfonyl)propionitrile; 3-(benzenesulfonyl)-2-chloropropanenitrile; Propanenitrile, 2-chloro-3-(phenylsulfonyl)-; CP 15747; Propionitrile, 2-chloro-3-(phenylsulfonyl)-; CHEMBL1997814; SCHEMBL11660459; DTXSID90931430; NSC620129; MCULE-5377701920; NSC-620129; DA-10404; NCI60_005959; 2-Chloro-3-(phenylsulfonyl)propiononitrile; 2-Chloro-3-(phenylsulfonyl)propanenitrile #; FT-0713669; AB-337/13036027"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620129	.	.	.	.	229.68	C9H8ClNO2S	66.3	319	1.6	14	0	3	3	"InChI=1S/C9H8ClNO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2"	C1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl	IWXBVRBZXCRQEB-UHFFFAOYSA-N
DG50876	beta-(5-Hydroxy-2-pyridyl)alanine	122047	"beta-(5-hydroxy-2-pyridyl)alanine; 943-82-8; 2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid; NSC676454; L-AZATYROSINE; 2-Aza-DL-tyrosine; SF 1346; 3-(5-hydroxypyridin-2-yl)alanine; (+-)-alpha-Amino-5-hydroxy-2-pyridinepropanoic acid; alpha-Amino-5-hydroxy-2-pyridinepropanoic acid; SCHEMBL5283089; CHEMBL1998164; 2-Pyridinepropanoic acid, alpha-amino-5-hydroxy-, (+-)-; DTXSID70915692; 3-(5-Hydroxy-2-pyridinyl)alanine; NSC-676454; NCI60_027061; DB-009308; FT-0746389; 2-amino-3-(5-hydroxy-2-pyridyl)propanoic acid; 2-Pyridinepropanoic acid, alpha-amino-5-hydroxy- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676454	.	.	.	.	182.18	C8H10N2O3	96.4	186	-2.8	13	3	5	3	"InChI=1S/C8H10N2O3/c9-7(8(12)13)3-5-1-2-6(11)4-10-5/h1-2,4,7,11H,3,9H2,(H,12,13)"	C1=CC(=NC=C1O)CC(C(=O)O)N	YOZSEGPJAXTSFZ-UHFFFAOYSA-N
DG50877	Diazaquinomycin A	122105	"Diazaquinomycin A; 87614-40-2; 3,7-dimethyl-4,6-dipropyl-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone; NSC626554; Antibiotic OM 704A; Pyrido(3,2-g)quinoline-2,5,8,10(1H,9H)-tetrone, 3,7-dimethyl-4,6-dipropyl-; OM-704 A; BRN 4578367; Diazaquinomicin A; Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone, 3,7-dimethyl-4,6-dipropyl-; SCHEMBL4328913; CHEMBL2004796; DTXSID40236523; CHEBI:181724; NSC-626554; NCI60_008405; 2,8-Dihydroxy-3,7-dimethyl-4,6-dipropylpyrido[3,2-g]quinoline-5,10-dione; 2,8-dihydroxy-3,7-dimethyl-4,6-dipropyl-pyrido[3,2-g]quinoline-5,10-dione; 3,7-Dimethyl-4,6-dipropyl-pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626554	.	.	.	.	354.4	C20H22N2O4	92.3	827	1.8	26	2	4	4	"InChI=1S/C20H22N2O4/c1-5-7-11-9(3)19(25)21-15-13(11)17(23)14-12(8-6-2)10(4)20(26)22-16(14)18(15)24/h5-8H2,1-4H3,(H,21,25)(H,22,26)"	CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C	WZZGVUSWZMBPPL-UHFFFAOYSA-N
DG50878	"2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-"	122566	"32180-75-9; 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-; NSC605762; 1-HYDROXY-N-[4-(2,4-DI-TERT-PENTYLPHENOXY)BUTYL]-2-NAPHTHAMIDE; N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide; N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide; N-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-2-naphthamide; 2-Naphthalenecarboxamide, N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-; EINECS 250-943-9; N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-2-naphthamide; ChemDiv1_019776; N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-2-naphthalenecarboxamide; N-(4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxynaphthalene-2-carboxamide; SCHEMBL7751016; CHEMBL2005738; DTXSID7067661; HMS643C20; ZINC1609166; MFCD00128819; STK332474; AKOS001484957; MCULE-2093820329; NSC-605762; NCI60_004644; SR-01000404206; SR-01000404206-1; 1-hydroxy-N-[4-(2,4-di-t-amylphenoxy)-butyl]-2-naphthamide; 1-Hydroxy-N-[4-(2,4-di-t-pentylphenoxy)-butyl]-2-naphthamide; N-[4-(2,4-ditert-pentylphenoxy)butyl]-1-hydroxy-2-naphthamide; 1-Hydroxy-naphthalene-2-carboxylic acid {4-[2,4-bis-(1,1-dimethyl-propyl)-phenox; N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-2-naphthalenecarboxamide, 99%; N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-naphthalene-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605762	.	.	.	.	475.7	C31H41NO3	58.6	660	9.5	35	2	3	11	"InChI=1S/C31H41NO3/c1-7-30(3,4)23-16-18-27(26(21-23)31(5,6)8-2)35-20-12-11-19-32-29(34)25-17-15-22-13-9-10-14-24(22)28(25)33/h9-10,13-18,21,33H,7-8,11-12,19-20H2,1-6H3,(H,32,34)"	CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(C)(C)CC	DHEJKONKJWLHGP-UHFFFAOYSA-N
DG50879	"((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine"	122582	"NSC699412; ((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine; SCHEMBL205923; CHEMBL1968764; DTXSID90954109; AKOS015913742; NSC-699412; NCI60_035591; FT-0604368; FT-0604409; 4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; (-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol; (4R,5R)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane; 2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, (-)-; ((2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine); [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis(diphenylphosphane); [5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenyl-phosphane; Phosphine, [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethylene]bis[diphenyl-, trans-(-)-; ((5-[(Diphenylphosphino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine #; 53531-20-7; Phosphine, [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis[diphenyl-, (4R-trans)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	699412	.	.	.	.	498.5	C31H32O2P2	18.5	528	6.2	35	0	2	8	"InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3"	CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C	VCHDBLPQYJAQSQ-UHFFFAOYSA-N
DG50880	Didemnin B	122651	"Didemnin B; UNII-OR65D8FK1B; 77327-05-0; OR65D8FK1B; CHEBI:68856; NSC-325319; (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide; NSC325319; (2~{S})-~{N}-[(2~{R})-1-[[(3~{S},6~{S},8~{S},12~{S},13~{R},16~{S},17~{R},20~{S},23~{S})-13-[(2~{S})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{N}-methyl-1-[(2~{S})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide; N-[1-[[(12R,13S)-13-[(2R)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide; NorD; L-Tyrosine, N-(1-(N-(4-((3-hydroxy-4-((N-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-L-leucyl)-L-threonyl)amino)-6-methyl-1-oxoheptyl)oxy)-2,5-dimethyl-1,3-dioxohexyl)-L-leucyl)-L-prolyl)-N,O-dimethyl-, phi-lactone; Didemnin A, N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-, (S)-; CHEMBL414042; SCHEMBL1346816; DTXSID80228068; HY-105055; CS-0024827; BRD-K58977490-001-01-0; Q27137213; (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-13-[(1S)-1-methylpropyl]-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]carbamoyl]-3-methyl-butyl]-1-[(2S)-2-hydroxypropanoyl]-N-methyl-pyrrolidine-2-carboxamide; (S)-N-((R)-1-(((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-((S)-2-hydroxypropanoyl)-N-methylpyrrolidine-2-carboxamide; 114607-50-0; 7C4; L-Tyrosine, (2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (9-4)-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325319	.	.	.	.	1112.4	C57H89N7O15	288	2150	5.5	79	5	15	15	"InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1"	CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O	KYHUYMLIVQFXRI-SJPGYWQQSA-N
DG50881	Actinomycin C2	122716	"Actinomycin D, 2A-D-alloisoleucine-; ACTINOMYCIN C2; ACTINOMYCIN C; Actinomycin VI; NSC87221; 2612-14-8; 8052-16-2; NSC-87221; MLS006010761; CHEMBL2004210; 2A-D-Alloisoleucine, Actinomycin D; HSCI1_000326; 2-amino-1-N-(3-butan-2-yl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide; SMR001565514; FT-0621887; 2-amino-N9-(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-N1-(10-isopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-sec-butyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87221	.	.	.	.	1269.4	C63H88N12O16	356	3050	4.1	91	5	18	9	"InChI=1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)"	CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C	QCXJFISCRQIYID-UHFFFAOYSA-N
DG50882	Diosquinone	122720	"Diosquinone; NSC342731; 50886-69-6; Batacanone; 4-(1,4-Dihydro-5-hydroxy-7-methyl-1,4-dioxo-2-naphthalenyl)-1a,7a-dihydro-3-hydroxy-5-methylnaphth(2,3-b)oxirene-2,7-dione; NSC 342731; DIOSQUINONE & BATACANONE; CHEMBL1984064; DTXSID00965125; NSC-342731; NCI60_003044; 3-hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; 3-Hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; 3-hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxo-2-naphthyl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione; Naphth(2,3-b)oxirene-2,7-dione, 4-(1,4-dihydro-5-hydroxy-7-methyl-1,4-dioxo-2-naphthalenyl)-1a,7a-dihydro-3-hydroxy-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342731	.	.	.	.	390.3	C22H14O7	121	844	3.3	29	2	7	1	"InChI=1S/C22H14O7/c1-7-3-9-15(12(23)4-7)13(24)6-11(17(9)25)14-8(2)5-10-16(19(14)27)20(28)22-21(29-22)18(10)26/h3-6,21-23,27H,1-2H3"	CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C5C(C4=O)O5)O	AVBFKEHAFCGOKT-UHFFFAOYSA-N
DG50883	Nogalarol	122727	"Nogalarol; Nogalamycin compound A; NSC86005; 11052-70-3; Methyl 4-(dimethylamino)-3,5,8,10,11,13-hexahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate; U-24489; (2R)-4alpha-(Dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3beta,5beta,8,10,11beta,13alpha-hexahydroxy-6,13-dimet; methyl 23-(dimethylamino)-4,8,10,12,22,24-hexahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; NSC 86005; NSC-86005; Compound A from Nogalamycin; CHEMBL1973057; DTXSID20911720; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,11,13-hexahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)-; NCI60_041901; methyl dimethylamino-hexahydroxy-dimethyl-dioxo-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86005	.	.	.	.	585.6	C29H31NO12	204	1150	0.4	42	6	13	3	"InChI=1S/C29H31NO12/c1-28(39)8-13(32)14-9(18(28)26(38)40-5)6-10-15(21(14)34)22(35)16-12(31)7-11-24(17(16)20(10)33)41-27-23(36)19(30(3)4)25(37)29(11,2)42-27/h6-7,13,18-19,23,25,27,31-32,34,36-37,39H,8H2,1-5H3"	CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O)O	UEAXJNKEWITCAW-UHFFFAOYSA-N
DG50884	"6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol"	122728	"Aromoline; 6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol; NSC93674; DTXSID30966226; 15,30-diaza-20,25-dimethoxy-15,30-dimethyl-8,23-dioxaheptacyclo[22.6.2.2<9,12>.1<3,7>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,7(35),9,11,18,20,22(36),24(32),25,27(31),33-dodecaene-6,21-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93674	.	.	.	.	594.7	C36H38N2O6	83.9	948	6	44	2	8	2	"InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3"	CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC	LFFQVHXIFJLJSP-UHFFFAOYSA-N
DG50885	Quinocarmycin analog	122737	"Quinocarmycin analog; DX-52-1; MLS000766289; NSC607097; SMR000528873; 96251-59-1; 7-Cyano-5-(hydroxymethyl)-4-methoxy-13-methyl-5,7,8,9,10,11,11a,12-octahydro-8,11-epiminoazepino[1,2-b]isoquinoline-10-carboxylic acid; Antibiotic DX-52-1; cid_122737; CHEMBL1521681; BDBM46550; DTXSID90914602; NCI60_004691; (+)-DX 52-1; cyano-(hydroxymethyl)-methoxy-methyl-[ ]carboxylic acid; 8,2-b]isoquinoline-10-carboxylic acid, 7-cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-, (5R,7R,8S,10R,11R,11aS)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607097	.	.	.	.	357.4	C19H23N3O4	97	619	-1.7	26	2	7	3	"InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)"	CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O	YGWHMSNGVVTUIT-UHFFFAOYSA-N
DG50886	"3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide"	122749	NSC645647; NSC-645647; NCI60_015625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645647	.	.	.	.	253.25	C12H15NO5	113	311	-1	18	4	5	3	"InChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)"	C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)CO)O)O	WIYQAQIDVXSPMY-UHFFFAOYSA-N
DG50887	"Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester"	122790	"ATPU; Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester; 2962-75-6; NSC56054; 3063-89-6; CHEMBL453866; DTXSID60183803; ZINC17314588; 2,2'-(9,10-Anthrylenebismethylene)bis(isothiourea); Pseudourea, 2,2'- (9,10-anthrylenedimethylene)bis[-2-thio-; 2-[[10-(carbamimidoylsulfanylmethyl)-9-anthryl]methyl]isothiourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56054	.	.	.	.	354.5	C18H18N4S2	150	404	3.9	24	4	4	6	"InChI=1S/C18H18N4S2/c19-17(20)23-9-15-11-5-1-2-6-12(11)16(10-24-18(21)22)14-8-4-3-7-13(14)15/h1-8H,9-10H2,(H3,19,20)(H3,21,22)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N	ULXNUSWDNFKRMZ-UHFFFAOYSA-N
DG50888	Actinomycin vii	122799	"Actinomycin C3; Actinomycin vii; CHEMBL413035; NSC87222; NSC-87222; BDBM50071190; 2-Amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylic acid bis-[(5-sec-butyl-12-isopropyl-9,13,16-trimethyl-4,7,11,14,17-pentaoxo-hexadecahydro-10-oxa-3a,6,13,16-tetraaza-cyclopentacyclohexadecen-8-yl)-amide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87222	.	.	.	.	1283.5	C64H90N12O16	356	3070	4.5	92	5	18	10	"InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)"	CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)N)C)C)C(C)C)C)C	XLGPRYUFOGVPMM-UHFFFAOYSA-N
DG50889	Cinerubine A	122802	"Cinerubine A; Cinerubin A; Rhodirubin C; NSC 18334; NSC 267694; NSC18334; 34044-10-5; Tauromycetin-IV; Tavromycetin-IV; Ryemycin-B2; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; Antibiotic MA 144A2; Ryemycin B2; NSC267694; MA-144A2; NSC-18334; Cinerubin A (8CI); CHEMBL1969645; 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-; 1-Naphthacenecarboxylic acid, 1-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-,; 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy); NCI60_001527; NCI60_001945; 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranosyl]oxy]-, methyl ester, (1R,2R,4S...; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosy-; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVQ OQ RQ FO- FT6OTJ B1 DN1&1 CO- FT6OTJ B1 DQ CO- FT6O CVTJ B1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267694	.	.	.	.	827.9	C42H53NO16	237	1560	4	59	5	17	10	"InChI=1S/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17 ,18 ,19 ,22 ,26 ,27-,28 ,29 ,30 ,35-,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O	STUJMJDONFVTGM-CEPMKHARSA-N
DG50890	Pepleomycin sulfate	122804	peplomycin sulfate; Pepleomycin sulfate; NSC276382; NSC-276382; BLM-PEP(-CU); SCHEMBL1650390; CHEMBL1994483; BLEOMYCIN PEP -CU (FORMERLY); FT-0673625; (S)-N'-[3-[(1-Phenylethyl)amino]propyl]bleomycinamide sulfate (1:1) (salt)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276382	.	.	.	.	1571.7	C61H90N18O25S3	779	2820	.	107	23	36	38	"InChI=1S/C61H88N18O21S2.H2O4S/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29;1-5(2,3)4/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79);(H2,1,2,3,4)"	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O.OS(=O)(=O)O	ZHHIHQFAUZZMTG-UHFFFAOYSA-N
DG50891	Retrochinensin	122805	"Retrochinensin; NSC254665; 5707-96-0; UNII-FPB7483LCY; FPB7483LCY; CHEMBL440125; 9-(3,4-Dimethoxy-phenyl)-8-H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-6-one; NSC 254665; 9-(3,4-Dimethoxy-phenyl)-8-H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one; DTXSID80972539; BDBM50280960; NSC-254665; NCI60_002042; 5-(3,4-dimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 9-(3,4-Dimethoxy-phenyl)-8H-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-6-one; 9-(3,4-Dimethoxyphenyl)-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	254665	.	.	.	.	364.3	C21H16O6	63.2	567	4	27	0	6	3	"InChI=1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)20-13-8-19-18(26-10-27-19)7-12(13)5-14-15(20)9-25-21(14)22/h3-8H,9-10H2,1-2H3"	COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC	YYPFAIGJJDNPII-UHFFFAOYSA-N
DG50892	Destruxin A	122810	"Destruxin A; 6686-70-0; NSC361126; MEGxm0_000391; CHEMBL1969309; ACon0_000641; ACon1_001603; DTXSID60985485; MCULE-4850056936; NSC-361126; NCGC00180336-01; BD162717; BRD-A23078753-001-01-3; 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-6-(propan-2-yl)-16-(prop-2-en-1-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone; NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361126	.	.	.	.	577.7	C29H47N5O7	145	1020	2.3	41	2	7	5	"InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)"	CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C	XIYSEKITPHTMJT-UHFFFAOYSA-N
DG50893	Xestoquinone	122838	"Xestoquinone; 97743-96-9; (+)-Xestoquinone; 1H-Benzo(6,7)phenanthro(10,1-bc)furan-6,8,11(12bH)-trione, 2,3-dihydro-12b-methyl-, (S)-; 1-XQN; CHEMBL510492; SCHEMBL12104111; DTXSID90913675; BDBM50398330; NSC643406; NSC-643406; NCI60_014669; C20073; Q15634140; 12b-Methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,8,11(12bH)-trione; (S)-12b-Methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,8,11(12bH)-trione; (1S)-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione; XQN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643406	.	.	.	.	318.3	C20H14O4	64.4	665	3.7	24	0	4	0	"InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1"	C[C@@]12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4	HDONDRKCXFRHQQ-FQEVSTJZSA-N
DG50894	Benzyl trisulfide	122842	"Benzyl trisulfide; 6493-73-8; Dibenzyl trisulfide; Benzyltrisulfide; Trisulfide, bis(phenylmethyl); Bis(phenylmethyl)trisulfide; (benzyltrisulfanyl)methylbenzene; DTS; 1,3-Dibenzyltrisulfane; Trisulfide,bis(phenylmethyl); Dibenzyl pertrisulfide; 1,3-Dibenzyltrisulfane #; Trisulfane, bis(phenylmethyl)-; CHEMBL378770; SCHEMBL2803113; DTXSID90215247; ZINC1658271; NSC709944; AKOS015913250; MCULE-1494292961; NSC-709944; NCI60_038710; DB-008926; FT-0663069; A854560"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709944	.	.	.	.	278.5	C14H14S3	75.9	164	4.3	17	0	3	6	"InChI=1S/C14H14S3/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2"	C1=CC=C(C=C1)CSSSCC2=CC=CC=C2	UXDMWYANCHMSJX-UHFFFAOYSA-N
DG50895	Npf-etoposide	122849	"Npf-etoposide; 125830-36-6; NSC-628679; NSC628679; NSC 628679; CHEMBL281692; SCHEMBL13439902; DTXSID20154953; 4'-O-Demethyl-4-(4''-fluoroanilino)-4-desoxypodophyllotoxin; 1,3-dioxol-6(5H)- one der.; ZINC8656072; (5R-(5alpha,5abeta,8aalpha,9beta))-9-((4-Fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 9-((4-Fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta))-; (5AR,9S)-9-[(4-fluorophenyl)amino]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-((4-fluorophenyl)amino)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R-(5alpha,5abeta,8abeta,9beta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628679	.	.	.	.	493.5	C27H24FNO7	95.5	780	4.1	36	2	9	5	"InChI=1S/C27H24FNO7/c1-32-21-7-13(8-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)29-15-5-3-14(28)4-6-15/h3-10,18,23-25,29-30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F	OWZJVOYADMZDSO-LVEBQJTPSA-N
DG50896	"1,4-Naphthalenedione, 5-methoxy-"	123220	"1,4-Naphthalenedione, 5-methoxy-; 5-methoxynaphthalene-1,4-dione; 4923-61-9; 5-methoxy-1,4-naphthoquinone; O-Methyljuglone; NSC618315; 1, 5-methoxy-; 5-methoxynaphthoquinone; ghl.PD_Mitscher_leg0.1; 8-Methoxy-1,4-naphthoquinone; SCHEMBL3414850; CHEMBL1989223; 5-methoxy-naphthalene-1,4-dione; DTXSID80197740; ZINC261797; NSC-618315; NCI60_005544; DB-100380; AH-357/04340044"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618315	.	.	.	.	188.18	C11H8O3	43.4	293	1.7	14	0	3	1	"InChI=1S/C11H8O3/c1-14-10-4-2-3-7-8(12)5-6-9(13)11(7)10/h2-6H,1H3"	COC1=CC=CC2=C1C(=O)C=CC2=O	DBDLTJRCKGCKSK-UHFFFAOYSA-N
DG50897	"7-Ethyl-10,11-methylenedioxy-20-S-camptothecin"	123614	"7-Ethyl-10,11-methylenedioxy-20-S-camptothecin; CHEMBL183350; 169900-78-1; SCHEMBL15711952; DTXSID00168770; BDBM50153812; NSC673592; NSC-673592; 10H-1,3-Dioxolo(4,5-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8,11(7H,13H)-dione, 7,14-diethyl-7-hydroxy-, (7S)-; 7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin; 7,14-diethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3'''',4'''':6,7]indolizino[1,2-b]quinoline-8,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673592	.	.	.	.	420.4	C23H20N2O6	98.2	899	1.6	31	1	7	2	"InChI=1S/C23H20N2O6/c1-3-11-12-5-18-19(31-10-30-18)7-16(12)24-20-13(11)8-25-17(20)6-15-14(21(25)26)9-29-22(27)23(15,28)4-2/h5-7,28H,3-4,8-10H2,1-2H3/t23-/m0/s1"	CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC6=C(C=C51)OCO6	VPGWXOVUCCDEPV-QHCPKHFHSA-N
DG50898	9-Methoxycamptothecin	123617	"9-Methoxycamptothecin; 39026-92-1; Camptothecin, 9-methoxy-; NSC176323; C21H18N2O5; NSC-176323; (S)-4-ethyl-4-hydroxy-10-methoxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione; NSC 176323; CAMPTOTHECIN,9-METHOXY; CHEMBL522112; SCHEMBL1004508; DTXSID00192292; HY-N6011; ZINC5011446; 8044AH; MFCD03840473; ZB1864; AKOS037514539; NCGC00385478-01; NCI60_001450; CS-0032150; N2593; F17695; (19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; (S)-4-ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; {1H-Pyrano[3',} {4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-,} 4-ethyl-4-hydroxy-10-methoxy-, (S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-10-methoxy-, (S)-; NCGC00385478-01_C21H18N2O5_1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176323	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O	XVMZDZFTCKLZTF-NRFANRHFSA-N
DG50899	"4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide"	123924	"Snc 80; 156727-74-1; Snc-80; SNC80; UNII-L842QB22SW; CHEMBL13470; 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide; L842QB22SW; 4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide; NSC707484; NCGC00024777-02; DSSTox_CID_25662; DSSTox_RID_81039; DSSTox_GSID_45662; (+)-4-[(alphaR)-alpha-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide; 4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; Benzamide, 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethyl-; CAS-156727-74-1; Tocris-0764; 4-((2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide (2S-(1(S*),2alpha,5beta))-; SCHEMBL724753; GTPL1611; DTXSID6045662; CHEBI:109556; HMS3266B16; HMS3411H19; HMS3675H19; Tox21_110925; BDBM50039029; MFCD00672673; ZINC22066510; AKOS024458637; Tox21_110925_1; AT27894; NSC-707484; NCGC00024777-01; NCGC00024777-03; NCGC00024777-04; NCGC00024777-08; 4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; AS-74938; Benzamide, 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-N,N-diethyl-, (2S-(1(S*),2alpha,5bet))-; NCI60_038183; HY-101202; B6441; CS-0020978; SR-01000597706; J-009336; Q7391803; SR-01000597706-1; BRD-K29546239-001-01-5; 3-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(4-diethylcarbamoyl-phenyl)-methyl]-benzoic acid; 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; (+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; (+)-4-[( R)- -((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide; (+)-4-[(alpha-R)-alpha-[2S,5R]-4-allyl[2,5-dimethyl-1-piperazinyl]-3-methoxybenzyl]-N,N-diethylbenzamide; 4-((R)-((2R,5S)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide; 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide (SNC 80); 4-[(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide(SNC-80); 4-[(R)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-((R)-4-(S)-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-(4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide; 4-[(R)-[(2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide; 4-[(R)-[(2S,5R)-2,5-DIMETHYL-4-(PROP-2-EN-1-YL)PIPERAZIN-1-YL](3-METHOXYPHENYL)METHYL]-N,N-DIETHYLBENZAMIDE; 4-[(R)-[(2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl](3-methoxyphenyl)-methyl]-N,N-diethylbenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707484	.	.	.	.	449.6	C28H39N3O2	36	614	4.9	33	0	4	9	"InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1"	CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C	KQWVAUSXZDRQPZ-UMTXDNHDSA-N
DG50900	"3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one"	124286	"CHEMBL1083838; 126433-42-9; 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one; 5'-Iodoindirubin; CHEMBL173445; SCHEMBL3849189; BDBM50313612; NSC717816; NSC-717816; NCI60_040620; 2-(2-hydroxy-5-iodo-1H-indol-3-yl)indol-3-one; (3Z)-5-iodo-3-(3-oxoindolin-2-ylidene)indolin-2-one; 5''-Iodo-1H,1''H-[2,3'']biindolylidene-3,2''-dione; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-; 5-Iodo-3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717816	.	.	.	.	388.16	C16H9IN2O2	65.4	481	3.4	21	2	3	1	"InChI=1S/C16H9IN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H"	C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)I)O	JCJGSZCPPTXTGO-UHFFFAOYSA-N
DG50901	"2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid"	124326	"NOTA; 56491-86-2; 1,4,7-Triazacyclononane-N,N',N''-triacetic acid; 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid; 2,2',2''-(1,4,7-triazonane-1,4,7-triyl)triacetic acid; 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-; CHEMBL2005280; NSC696860; 1,4,7-triazacyclononane-1,4,7 triacetic acid; 67Ga-9N3; SCHEMBL173508; Hexahydro-1H-1,4,7-triazonine-1,4,7-triacetic acid; DTXSID60205034; BDBM50452815; MFCD00137938; s6923; ZINC19365651; AKOS016035272; ACN-037611; NSC-696860; BS-46783; NCI60_034500; HY-134418; CS-0142067; FT-0699859; 1,4,7-triazacyclononane-1,4,7-triacetic acid; E78085; 1,4,7-triazacyclononane-n,n',n'-triacetic acid; 1,4,7-tricarboxymethyl-1,4,7-triazacyclononane; A902686; 1H-1,7-Triazonine-1,4,7-triacetic acid, octahydro-; N,N',N''-Tris(carboxymethyl)-1,4,7-triazacyclononane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	696860	.	.	.	.	303.31	C12H21N3O6	122	320	-7.9	21	3	9	6	"InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)"	C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O	JHALWMSZGCVVEM-UHFFFAOYSA-N
DG50902	"5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one"	124496	"NSC-645827; MLS002701557; C 1303; 128113-19-9; NSC645827; C-1303; CHEMBL95704; DTXSID30155810; ZINC5140451; 5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one; NCI60_015716; SMR001565158; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,3]triazolo[4,5,1-de]acridin-6-one; 5-[2-Dimethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one; 6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((2-(dimethylamino)ethyl)amino)-8-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645827	.	.	.	.	323.35	C17H17N5O2	83.3	488	2.5	24	2	6	4	"InChI=1S/C17H17N5O2/c1-21(2)8-7-18-12-4-5-13-16-15(12)17(24)11-9-10(23)3-6-14(11)22(16)20-19-13/h3-6,9,18,23H,7-8H2,1-2H3"	CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O	OMSFZBMJHQNEQZ-UHFFFAOYSA-N
DG50903	Benfluron N-oxide	124631	"Benfluron N-oxide; 91416-10-3; NOBF; Benflurone N-oxide; Benfluron, N-oxide-; CHEMBL1988507; DTXSID50238553; ZINC1618116; NSC625257; NSC-625257; NCI60_007791; 7H-Benzo(c)fluoren-7-one, 5-(2-(dimethylamino)ethoxy)-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	625257	.	.	.	.	333.4	C21H19NO3	44.4	505	3.8	25	0	3	4	"InChI=1S/C21H19NO3/c1-22(2,24)11-12-25-19-13-18-20(15-8-4-3-7-14(15)19)16-9-5-6-10-17(16)21(18)23/h3-10,13H,11-12H2,1-2H3"	C[N+](C)(CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O)[O-]	WCZAXBXVDLKQGV-UHFFFAOYSA-N
DG50904	"2,5-Diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone"	124693	"NSC-224070; NSC 224070; 2,5-Diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone; 59886-54-3; UNII-79BOD3G8DW; 79BOD3G8DW; CHEBI:90193; 2,5-Bis(2-hydroxyethylamino)-3,6-diaziridinyl-1,4-benzoquinone; 3,6-Bis((2-hydroxyethyl)amino)-2,5-diaziridinyl-1,4-benzoquinone; 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone; 2,5-Bzq; CHEMBL332840; CHEMBL2000244; DTXSID60208601; NSC224070; ZINC100660000; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis((2-hydroxyethyl)amino)-; NCI60_001846; Q27162391; 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-p-benzoquinone; 2,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis[(2-hydroxyethyl)amino]-; 2,5-bis(aziridin-1-yl)-3,6-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	224070	.	.	.	.	308.33	C14H20N4O4	105	511	-1.5	22	4	8	8	"InChI=1S/C14H20N4O4/c19-7-1-15-9-11(17-3-4-17)14(22)10(16-2-8-20)12(13(9)21)18-5-6-18/h15-16,19-20H,1-8H2"	C1CN1C2=C(C(=O)C(=C(C2=O)NCCO)N3CC3)NCCO	MXNZCIQNSJMZST-UHFFFAOYSA-N
DG50905	10-Desacetylbaccatin III	125001	"32981-86-5; 10-DEACETYLBACCATIN-III; MLS002702103; NSC251677; 10-DAB III; 10-Desacetylbaccatin III; 10-Deacetyl baccatin III; 92999-93-4; Tetrol fr. Taxus Brevifolia; SCHEMBL432541; 10-DAB; CHEMBL1713307; 10-deacetylbaccatin (10-DAB); 8-epi-10-Deacety Baccatin III; BCP07070; BCP29274; STL565984; AKOS015895539; AKOS024288610; AC-8253; MCULE-2122815535; NSC-251677; LS-15262; NCI60_002012; SMR001565671; FT-0665489; FT-0665490; FT-0700873; 10-Deacetyl pound>>7-epi-10-DAB pound>>Docetaxel 7-Epi-DAB-Impurity; 10-Deacetylbaccatin; 10-Deacetylbaccatin III; 10-Deacetylbaccatin-III; 4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251677	.	.	.	.	544.6	C29H36O10	160	1090	0.6	39	4	10	5	"InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3"	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O	YWLXLRUDGLRYDR-UHFFFAOYSA-N
DG50906	"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine"	125178	"NSC673789; n1,n1-dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine; CHEMBL2003934; NSC-673789; NCI60_026110; 9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673789	.	.	.	.	324.4	C18H20N4O2	74	439	3.8	24	1	5	4	"InChI=1S/C18H20N4O2/c1-12(11-21(2)3)19-18-13-7-4-5-8-14(13)20-15-9-6-10-16(17(15)18)22(23)24/h4-10,12H,11H2,1-3H3,(H,19,20)"	CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	OMMVCTMDWJLPLM-UHFFFAOYSA-N
DG50907	Octadecylphosphocholine	125219	"Octadecylphosphocholine; 65956-63-0; octadecyl 2-(trimethylazaniumyl)ethyl phosphate; NSC282880; ODPC; N-Octadecylphosphocholine; Octadecylphosphorylcholine; Choline octadecyl phosphate; SCHEMBL744376; CHEMBL198938; DTXSID00984437; NSC 282880; NSC-282880; Ethanaminium,N,N-trimethyl-, inner salt; NCGC00178095-01; O-(Octadecylphosphoryl)choline, >=98% (TLC); O-0350; D 19391; D-19391; Ethanaminium, 2-((hydroxy(octadecyloxy)phosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282880	.	.	.	.	435.6	C23H50NO4P	58.6	391	7.8	29	0	4	22	"InChI=1S/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3"	CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C	ZBNJXSZNWZUYCI-UHFFFAOYSA-N
DG50908	10-Acetylsalicyldithranol	125294	"10-Acetylsalicyldithranol; 128864-32-4; NSC641172; [2-(4,5-dihydroxy-10-oxo-9H-anthracene-9-carbonyl)phenyl] acetate; CHEMBL1982668; DTXSID90155992; 10-(2-(Acetyloxy)benzoyl)-1,8-dihydroxy-9(10H)-anthracenome; NSC-641172; NCI60_013831; 9(10H)-Anthracenome, 10-(2-(acetyloxy)benzoyl)-1,8-dihydroxy-; 2-((4,5-Dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)carbonyl)phenyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	641172	.	.	.	.	388.4	C23H16O6	101	630	4	29	2	6	4	"InChI=1S/C23H16O6/c1-12(24)29-18-11-3-2-6-13(18)22(27)19-14-7-4-9-16(25)20(14)23(28)21-15(19)8-5-10-17(21)26/h2-11,19,25-26H,1H3"	CC(=O)OC1=CC=CC=C1C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O	AKCGRQGFZVKXMY-UHFFFAOYSA-N
DG50909	15-Deacetylsergeolide	125729	"15-Deacetylsergeolide; 95732-45-9; NSC364170; NSC-364170; SERGEOLIDE,DESACETYL; Neuro_000204; CHEMBL1978544; SERGEOLIDE, 15-DEACETYL; DTXSID40914834; NSC364381; NSC-364381; 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b]pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, [3S-(3.alpha.,3a.alpha.,4.alpha.,6a.alpha.,7a.beta.,8.beta.,12a.alpha.,13.alpha.,13aS*,14S*,15R*)]; 3,13-Ethano-1H,10H-furo(3,4-c)furo(2',3':6,7)naphtho(2,3-b)pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3R-(3alpha,3aalpha,4alpha,6aalpha,7abeta,8beta,12aalpha,13alpha,13aS*,14S*,15R*))-; Methyl 1,2,4-trihydroxy-8,12a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,8,10,12a,12b-decahydro-2H-3,12c-(epoxymethano)furo[2',3':6,7]phenanthro[10,1-bc]pyran-3(3aH)-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	364170	.	.	.	.	462.4	C23H26O10	149	1050	-0.1	33	3	10	2	"InChI=1S/C23H26O10/c1-8-9-4-13(24)32-11(9)6-21(2)10(8)5-12-22-7-31-23(20(29)30-3,18(27)14(25)16(21)22)17(22)15(26)19(28)33-12/h4,6,8,10,12,14-18,25-27H,5,7H2,1-3H3"	CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC	NPWJHTWCKHUSAM-UHFFFAOYSA-N
DG50910	1-Bromo-2-pentadecanone	125829	"1-Bromo-2-pentadecanone; NSC617806; 70243-14-0; NSC-617806; 1-bromopentadecan-2-one; 2-Pentadecanone, 1-bromo-; CHEMBL1965568; DTXSID30220491; NCI60_005334"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617806	.	.	.	.	305.29	C15H29BrO	17.1	168	7	17	0	1	13	"InChI=1S/C15H29BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16/h2-14H2,1H3"	CCCCCCCCCCCCCC(=O)CBr	VQSBLCYXZVPAIA-UHFFFAOYSA-N
DG50911	"1,4-Bis((2-aminoethyl)amino)-5,8-dihydroxy-9,10-anthraquinone"	125982	"1,4-Bis((2-aminoethyl)amino)-5,8-dihydroxy-9,10-anthraquinone; CL 232468; UNII-OZX2BS7RJ6; OZX2BS7RJ6; 96555-65-6; AEAD; 1,4-Bis[(2-Aminoethyl)amino]-5,8-Dihydroxyanthracene-9,10-Dione; CL-232468; CL 232,468; SCHEMBL4885984; CHEMBL1979181; DTXSID80242325; 1,4-bis(2-aminoethylamino)-5,8-dihydroxyanthracene-9,10-dione; ZINC5117117; NSC645017; NSC-645017; NCI60_015291; Q27453982; 1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthraquinone; 1,4-dihydroxy-5,8-bis-(2-amino-ethylamino)-anthracen-9,10-dione; 9,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-5,8-dihydroxy; 9,10-Anthracenedione, 1,4-bis((2-aminoethyl)amino)-5,8-dihydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	645017	.	.	.	.	356.4	C18H20N4O4	151	485	1.3	26	6	8	6	"InChI=1S/C18H20N4O4/c19-5-7-21-9-1-2-10(22-8-6-20)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,21-24H,5-8,19-20H2"	C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCN	CLVFWRBVFBUDQU-UHFFFAOYSA-N
DG50912	Pyrizinostatin	127007	"Pyrizinostatin; 146406-84-0; NSC660427; CHEMBL1988357; DTXSID40932831; NSC-660427; 2,6,8-trimethyl-4a-(2-oxopropyl)-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione; NCI60_021143; Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2-oxopropyl)-2,6,8-trimethyl-; 4a-acetonyl-2,6,8-trimethyl-4H-pyrimido[5,4-e][1,2,4]triazine-3,5,7-trione; 2,4,4a,8-Tetrahydro-2,6, 8-trimethy-4a-(2-oxopropyl)pyrimido {[5,4-e]-1,2,4-triazine-3,5,} 7(6H)-trione; 2,4,4a,8-tetrahydro-2,6,8-trimethyl-4a-(2-oxopropyl)pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione; 2,4a,8-Tetrahydro-2,6,8-trimethy-4a-(2-oxopropyl)pyrimido [5,4-e]-1,2,4-triazine-3,5,7(6H)-trione; 2,6,8-Trimethyl-4a-(2-oxopropyl)-2,4,4a,8-tetrahydropyrimido[5,4-e][1,2,4]triazine-3,5,7(6H)-trione; 3-Hydroxy-2,6,8-trimethyl-4a-(2-oxopropyl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	660427	.	.	.	.	281.27	C11H15N5O4	102	557	-1.8	20	1	5	2	"InChI=1S/C11H15N5O4/c1-6(17)5-11-7(13-16(4)9(19)12-11)14(2)10(20)15(3)8(11)18/h5H2,1-4H3,(H,12,19)"	CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C	HUZNODILVCXFIG-UHFFFAOYSA-N
DG50913	6-Amino-2-((4-butylphenyl)amino)-9H-purine	127307	"6-Amino-2-((4-butylphenyl)amino)-9H-purine; NSC685806; CHEMBL16122; 2-N-(4-butylphenyl)-7H-purine-2,6-diamine; 99304-81-1; 2-(p-n-Butylanilino)adenine; 2-(4-n-Butylanilino)adenine; n2-(4-butylphenyl)-9h-purine-2,6-diamine; BRN 5590918; 9H-Purine, 6-amino-2-((4-butylphenyl)amino)-; SCHEMBL10798696; DTXSID80912758; BDBM50025593; NSC-685806; NCI60_030849; N~2~-(4-Butylphenyl)-3H-purine-2,6-diamine; N~2~-(4-Butylphenyl)-9H-purine-2,6-diamine; N*2*-(4-Butyl-phenyl)-9H-purine-2,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685806	.	.	.	.	282.34	C15H18N6	92.5	317	3.5	21	3	5	5	"InChI=1S/C15H18N6/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H4,16,17,18,19,20,21)"	CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N=CN3)N	JSFFGFGRNFFOGA-UHFFFAOYSA-N
DG50914	Isoannonacin	128014	"Isoannonacin; Annonacin-A-one; Isoannonacin A; 170900-30-8; NSC618571; 5-{6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL}-3-(2-OXOPROPYL)OXOLAN-2-ONE; 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one; CHEMBL446074; DTXSID50937857; LMFA05000669; NSC-618571; 5-(6,11-Dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-; 5-[6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL]-3-(2-O XOPROPYL)OXOLAN-2-ONE; NCI60_005598; Q57617619; 2(3H)-Furanone, 5-(6,11-dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-; 3-acetonyl-5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one; 5-(6,11-Dihydroxy-11-(5-(1-hydroxytridecyl)tetrahydro-2-furanyl)undecyl)-3-(2-oxopropyl)dihydro-2(3H)-furanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618571	.	.	.	.	596.9	C35H64O7	113	714	8.1	42	3	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(37)18-13-12-14-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3"	CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O	DGQPZGGOYKKJLX-UHFFFAOYSA-N
DG50915	N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea	128803	"105128-93-6; HO-221; NSC624548; N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea; N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]-2-nitrobenzamide; NSC-624548; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-;Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-; Neuro_000252; Benzamide, N-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-chlorophenyl)amino)carbonyl)-2-nitro-; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitro-; HO 221; SCHEMBL3366352; CHEMBL1998062; DTXSID20146979; ZINC596733; N-(2-nitrobenzoyl)-N'-[4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl]urea; NCI60_007454; N-(4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N/'-(2-nitrobenzoyl)urea; Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chlorophenyl]amino]carbonyl]-2-nitro-; N-((4-((5-Bromopyrimidin-2-yl)oxy)-3-chlorophenyl)carbamoyl)-2-nitrobenzamide; N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]-2-nitro-benzamide; N-[[[4-[(5-BROMO-2-PYRIMIDINYL)OXY]-3-CHLOROPHENYL]AMINO]CARBONYL]-2-NITROBENZAMIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624548	.	.	.	.	492.7	C18H11BrClN5O5	139	631	4.2	30	2	7	4	"InChI=1S/C18H11BrClN5O5/c19-10-8-21-18(22-9-10)30-15-6-5-11(7-13(15)20)23-17(27)24-16(26)12-3-1-2-4-14(12)25(28)29/h1-9H,(H2,23,24,26,27)"	C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]	WKXWMGOTZJGIIK-UHFFFAOYSA-N
DG50916	"5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate"	130066	"5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate; 108320-79-2; NSC610190; rpi-6; CHEMBL19569; SCHEMBL9676588; ZINC25352; (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl N-methylcarbamate; 6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-, methylcarbamate; 6H-Pyrido(4,3-b)carbazole-5-methanol, 11-methyl-, methylcarbamate (ester); NSC-610190; NCI60_004788; 6H-Pyrido[4, 11-methyl-, methylcarbamate (ester); 6H-Pyrido[4, 5-hydroxymethyl-11-methyl-, N-methylcarbamate; Methylcarbamic acid (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	610190	.	.	.	.	319.4	C19H17N3O2	67	472	4	24	2	3	3	"InChI=1S/C19H17N3O2/c1-11-14-9-21-8-7-12(14)15(10-24-19(23)20-2)18-17(11)13-5-3-4-6-16(13)22-18/h3-9,22H,10H2,1-2H3,(H,20,23)"	CC1=C2C=NC=CC2=C(C3=C1C4=CC=CC=C4N3)COC(=O)NC	JEURWCFQOJUTQI-UHFFFAOYSA-N
DG50917	"9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride"	130333	"96705-56-5; NSC 355457; NSC355457; Indenoisoquinoline analogue of fagaronine chloride; 9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride; 11H-Indeno(1,2-c)isoquinolinium, 9-hydroxy-6-methyl-2,3,8-trimethoxy-, chloride; CHEMBL8044; NSC-355457; 11H-Indeno[1, 9-hydroxy-2,3,8-trimethoxy-6-methyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355457	.	.	.	.	373.8	C20H20ClNO4	51.8	475	.	26	1	5	3	"InChI=1S/C20H19NO4.ClH/c1-21-10-12-7-18(24-3)19(25-4)8-13(12)15-5-11-6-16(22)17(23-2)9-14(11)20(15)21;/h6-10H,5H2,1-4H3;1H"	C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)O)OC)OC)OC.[Cl-]	HTBVZYVJIWBTRF-UHFFFAOYSA-N
DG50918	Proanthocyanidin B2	130556	"Proanthocyanidin B2; 15514-06-4; NSC143099; Procyanidin D; Procyanidol D; (-)-procyanidin B4; Procyanidin B; 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; ent-Epicatechin(4alpha->8)catechin; Procyanidol oligomer; (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; Pyrocyanidin B-3; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; NSC 143099; 35356-34-4; SCHEMBL4750189; CHEMBL1253314; SCHEMBL14339427; Ent-Epicatechin(4a->8)catechin; DTXSID00935146; CHEBI:173294; (2R,2'R,3S,3'S,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; BCP29179; BCP29180; BCP29181; Ent-Epicatechin-(4alpha->8)-catechin; Proanthocyanidin B1;Procyanidin dimer B1; 71328-22-8; NCI60_000946; FT-0686682; FT-0686683; FT-0775556; A918727; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; 8-(3,3',4',5,7-pentahydroxyflavan-4-yl)-3,3',4',5,7-pentahydroxyflavan; Proanthocyanidin B2;( )-Epicatechin-(4(c)micro inverted exclamation markE8)-( )-epicatechin; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol; 20555-01-5; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin-B4;(+)-Catechin-(4a 8)-(-)-epicatechin; (-)-Procyanidin B4; Catechin-(4a 8)-epicatechin; Procyanidol B4;CATECHIN-(4ALPHA->8)-EPICATECHIN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143099	.	.	.	.	578.5	C30H26O12	221	925	2.4	42	10	12	3	"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2"	C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O	XFZJEEAOWLFHDH-UHFFFAOYSA-N
DG50919	[2-(Octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate	130724	"Sdz 266336 (S isomer); 113201-37-9; [2-(octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate; Sdz 266337 (R isomer); Crc 86-05; Sri 62834; Sri 62-834; Mls 266-337; NSC 614383; CHEMBL155690; DTXSID90921013; (Tetrahydro-2-(octadecycloxy)methylfuran-2-yl)methoxyphosphocholine; NSC614383; NSC-614383; 2-((Hydroxy-((2-((octadecyloxy)methyl)tetrahydrofuran-2-yl)methoxy)phosphinyl)oxy)-N,N,N-trimethylethylaminium hydroxide inner salt; {2-[(Octadecyloxy)methyl]oxolan-2-yl}methyl 2-(trimethylazaniumyl)ethyl phosphate; Ethanaminium, 2-((hydroxy((tetrahydro-2-((octadecyloxy)methyl)-2-furanyl)methoxy)phosphinyl)oxy)-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	614383	.	.	.	.	549.8	C29H60NO6P	77	577	7.9	37	0	6	26	"InChI=1S/C29H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-29(22-21-25-34-29)28-36-37(31,32)35-26-23-30(2,3)4/h5-28H2,1-4H3"	CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C	OEWZGBLJCYAMEG-UHFFFAOYSA-N
DG50920	9-Amino-20-camptothecin	131182	"9-Amino-20-camptothecin; 130194-90-0; 9-Aminocamptothecin (R,S); NSC629971; RS-9-Aminocamptothecin; MLS002701638; CHEMBL315269; 9-Amino-20-(R,S)-camptothecin; 9-Amiocamptothecin; 8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; SMR001565239; 10-Amiocamptothecin; MLS002702905; (+-)-9-Aminocamptothecine; CCRIS 9381; 9-Amino-20(RS)-camptothecin; NSC-629971; NSC 629971; SCHEMBL8715088; 10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; STR09285; BDBM50045367; AKOS032948107; NCI60_009742; FT-0642201; (20RS)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; (20S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione; 10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (+-)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-amino-4-ethyl-4-hydroxy-, (R,S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 10-amino-4-ethyl-4-hydroxy-, (R,S)-; 8-AMINO-19-ETHYL-19-HYDROXY-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)(1).0 , .0(1) ,(2) ]HENICOSA-1(21),2(11),3,5,7,9,15(20)-HEPTAENE-14,18-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	629971	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O	FUXVKZWTXQUGMW-UHFFFAOYSA-N
DG50921	"3b-hydroxy-3a,5,5-trimethyl-3-methylidene-4H-cyclopenta[a]pentalene-2,6-dione"	131851	"Incarnal; 135048-13-4; 3b-hydroxy-3a,5,5-trimethyl-3-methylidene-4H-cyclopenta[a]pentalene-2,6-dione; NSC648322; DTXSID70928868; (1-Hydroxy-2,10,10-trimethyl)-3-methylenetricyclo(6.3.0.0(2,6))undec-5,7-diene-4,9-dione; 3b-hydroxy-3a,5,5-trimethyl-3-methylene-4H-cyclopenta[a]pentalene-2,6-dione; 1H-Cyclopenta(a)pentalene-1,5(2H)-dione, 3,3a,3b,4-tetrahydro-3a-hydroxy-2,2,3b-trimethyl-4-methylene-, trans-; 3a-Hydroxy-2,2,3b-trimethyl-4-methylene-3,3a,3b,4-tetrahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione; 3a-hydroxy-2,2,3b-trimethyl-4-methylidene-3,3a,3b,4-tetrahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	648322	.	.	.	.	244.28	C15H16O3	54.4	591	1.1	18	1	3	0	"InChI=1S/C15H16O3/c1-8-11(16)6-9-5-10-12(17)13(2,3)7-15(10,18)14(8,9)4/h5-6,18H,1,7H2,2-4H3"	CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1=O)O)C	JHGIQUYJFHGGCR-UHFFFAOYSA-N
DG50922	"3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide"	131966	"NSC643826; 136533-71-6; BN 52205; SCHEMBL9389703; bn52205; CHEMBL1970137; DTXSID30929457; NSC-643826; 3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide; 3-Methoxy-2-[methyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate; 8-Aza-3, 4-hydroxy- 7-(methoxymethyl)-8,N,N,N-tetramethyl-, inner salt,4-oxide; Choline, 3-methoxy- 2-[methyl(octadecyl)amino]propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643826	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)28(26-33-6)27-35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)([O-])OCC[N+](C)(C)C	QISJQFBOXNKZNQ-UHFFFAOYSA-N
DG50923	"3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,9-tetramethyl-, hydroxide, inner salt, 4-oxide"	131968	"136533-74-9; BN 52211; NSC643828; SCHEMBL9614165; CHEMBL2001852; DTXSID90929458; NSC-643828; 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,9-tetramethyl-, hydroxide, inner salt, 4-oxide; 9-Aza-3, 4-hydroxy- 7-methoxy-9,N,N,N-tetramethyl-, inner salt,4-oxide; 2-Methoxy-3-[methyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate; Choline, 2-methoxy- 3-[methyl(octadecyl)amino]propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643828	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(33-6)27-35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)([O-])OCC[N+](C)(C)C)OC	IMBDJLSSCGCJMU-UHFFFAOYSA-N
DG50924	[1-Methoxy-3-[methyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate	131972	"136533-80-7; [1-methoxy-3-[methyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate; BN 52207; SCHEMBL9613712; CHEMBL1994449; DTXSID60929460; NSC643827; NSC-643827; 3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-6-(methoxymethyl)-N,N,N,8-tetramethyl-, hydroxide, inner salt, 4-oxide; 1-Methoxy-3-[methyl(octadecyl)amino]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate; 2-Propanol, dihydrogen phosphate, monoester with choline hydroxide,inner salt; 8-Aza-3, 4-hydroxy- 6-(methoxymethyl)-8,N,N,N-tetramethyl-, inner salt,4-oxide; Choline, 3-methoxy- 1-[methyl(octadecyl)amino]-2-propyl hydrogen phosphate, inner salt"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	643827	.	.	.	.	536.8	C28H61N2O5P	71.1	522	7.7	36	0	6	27	"InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(27-33-6)35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3"	CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)([O-])OCC[N+](C)(C)C	MAWNMMWIOFZBOQ-UHFFFAOYSA-N
DG50925	Cytoblastin	132024	"Cytoblastin; 137109-42-3; CHEMBL1995098; NSC654239; NSC-654239; 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(2,3-dihydroxy-1-(1H-indol-3-yl)propyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-; NCI60_018832; 5-[2,3-dihydroxy-1-(1H-indol-3-yl)propyl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one; 9-[2,3-Dihydroxy-1-(1H-indol-3-yl)propyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-isopropyl-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654239	.	.	.	.	490.6	C28H34N4O4	125	768	2.8	36	6	5	6	"InChI=1S/C28H34N4O4/c1-15(2)27-28(36)31-17(13-33)10-16-11-30-26-19(8-9-22(24(16)26)32(27)3)25(23(35)14-34)20-12-29-21-7-5-4-6-18(20)21/h4-9,11-12,15,17,23,25,27,29-30,33-35H,10,13-14H2,1-3H3,(H,31,36)"	CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C4=CNC5=CC=CC=C54)C(CO)O)CO	NXVPLRFWXAISBZ-UHFFFAOYSA-N
DG50926	Halomon	132430	"Halomon; 142439-86-9; 6-Bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene; 6(R)-Bromo-3(S)-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene; (3S,6R)-6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene; 6-Bbmtco; Halomo; NSC650893; Synthetic Halomon; (+)-halomon; NSC 650893; NCIMech_000659; (+)-6-Bromo-3-bromomethyl-2,7-trichloro-7-methyl-1-octene; SCHEMBL345518; CHEMBL136685; DTXSID80895855; CHEBI:147399; ZINC1533878; CCG-35767; NSC673503; (R-(R*,S*))-6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-1-octene; NSC-673503; NCI60_026040; C19916; Q411493; (+)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene; 6(R)-bromo-3(S)-(bromomethyl)-7-methyl-2,3,7-trichloro-l-octene; 1-Octene, 6-bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyl-, (R-(R*,S*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650893	.	.	.	.	401.4	C10H15Br2Cl3	0	231	5.2	15	0	0	6	"InChI=1S/C10H15Br2Cl3/c1-7(13)10(15,6-11)5-4-8(12)9(2,3)14/h8H,1,4-6H2,2-3H3/t8-,10-/m1/s1"	CC(C)([C@@H](CC[C@@](CBr)(C(=C)Cl)Cl)Br)Cl	OVLCIYBVQSJPKK-PSASIEDQSA-N
DG50927	Bullatalicin	132942	"Purpureacin-1; Bullatalicin; Bullatanocin; Squamostatin C; 152323-84-7; 125882-64-6; 150134-21-7; 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one; Annonin IV; Crassiflorin; NSC634802; Purpureacin 1; Cherimolin 2; CHEBI:8643; DTXSID80925308; C08505; Q27108124; 2(5H)-Furanone, 3-(9-(5-(1,4-dihydroxy-4-(tetrahydro-5-(1-hydroxyundecyl)-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-; 3-(9-(5-(1,4-Dihydroxy-4-(5-(1-hydroxyundecyl)tetrahydro-2-furanyl)butyl)tetrahydro-2-furanyl)-2-hydroxynonyl)-5-methyl-2(5H)-furanone; 3-[9-(5-{1,4-Dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl}oxolan-2-yl)-2-hydroxynonyl]-5-methylfuran-2(5H)-one; 4-[9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	634802	.	.	.	.	638.9	C37H66O8	126	833	8.2	45	4	8	25	"InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3"	CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O	HKMBLJVHVBJAIH-UHFFFAOYSA-N
DG50928	N-(1-benzylpiperidin-4-yl)-4-iodobenzamide	132995	"4-IBP; 155798-08-6; N-(1-benzylpiperidin-4-yl)-4-iodobenzamide; 155798-12-2; N-(N-Benzylpiperidin-4-yl)-4-iodobenzamide; N-(1-Benzyl-4-piperidinyl)-4-iodobenzamide; CHEMBL50112; NSC667672; BPIBA; Benzamide, 4-(iodo-125I)-N-[1-(phenylmethyl)-4-piperidinyl]- (9CI); Benzamide, 4-(iodo-125I)-N-(1-(phenylmethyl)-4-piperidinyl)-; 4-IBP cpd; Tocris-0748; (125I)-N-(N-Benzylpiperidin-4-yl)-4-iodobenzamide; SCHEMBL3366478; DTXSID80165969; CHEBI:114190; 4-(Iodo-125I)-N-(1-(phenylmethyl)-4-piperidinyl)benzamide; 4-IBP-125I; HMS3266P15; HMS3411F21; HMS3675F21; BCP29985; EX-A3242; ZINC1642602; BDBM50038419; MFCD00673910; s6561; AKOS016607579; CS-5580; MCULE-9192126656; NSC 667672; NSC-667672; NCGC00024766-01; NCGC00024766-02; BS-15253; NCI60_023558; DB-101407; HY-100155; B6433; N-(1-benzyl-4-piperidyl)-4-iodo-benzamide; A50802; N-(1-Benzyl-piperidin-4-yl)-4-iodo-benzamide; SR-01000597680; 4-iodo-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; SR-01000597680-1; BRD-K62537556-001-01-7; Q27195285; Z32353734; 4IBP;4 IBP;BPIBA;N-(N-benzylpiperidin-4-yl)-4-iodobenzamide; 61V"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	667672	.	.	.	.	420.3	C19H21IN2O	32.299	368	3.9	23	1	2	4	"InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)"	C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3	HELCSESNNDZLFM-UHFFFAOYSA-N
DG50929	"2-(5,5-Dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione"	133408	"Cycloalkannin; 64981-70-0; NSC344557; 6-(5,5-Dimethyltetrahydrofuran-2-yl)-5,8-dihydroxynaphthalene-1,4-dione; NSC301457; NAPHTHAZARIN-DIMETHYL-HYDROFURAN HDFR; Neuro_000151; Naphthazarin dimethyl-hydrofuran; SCHEMBL10760717; DTXSID501001086; 2-(5,5-dimethyloxolan-2-yl)-5,8-dihydroxynaphthalene-1,4-dione; NSC-344557; 77386-93-7; 6-(5,5-dimethyltetrahydrofuran-2-yl)-5,8-dihydroxy-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301457	.	.	.	.	288.29	C16H16O5	83.8	507	2.6	21	2	5	1	"InChI=1S/C16H16O5/c1-16(2)6-5-12(21-16)8-7-11(19)13-9(17)3-4-10(18)14(13)15(8)20/h3-4,7,12,17-18H,5-6H2,1-2H3"	CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C	ALRXDRQNAJOPCP-UHFFFAOYSA-N
DG50930	Haloquinone	133561	"Haloquinone; 80902-01-8; 3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione; 9,10-Phenanthrenedione, 3-acetyl-1,8-dihydroxy-2-methyl-; 3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenequinone; DTXSID50230779; NSC789947; NSC-789947"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	789947	.	.	.	.	296.27	C17H12O5	91.7	513	3.1	22	2	5	1	"InChI=1S/C17H12O5/c1-7-10(8(2)18)6-11-9-4-3-5-12(19)13(9)16(21)17(22)14(11)15(7)20/h3-6,19-20H,1-2H3"	CC1=C(C=C2C3=C(C(=CC=C3)O)C(=O)C(=O)C2=C1O)C(=O)C	CPYFLMXPZMBECD-UHFFFAOYSA-N
DG50931	"N-(3,4-Dimethyl-5-isoxazolyl)-4-amino-1,2-naphthoquinone"	133732	"N-(3,4-Dimethyl-5-isoxazolyl)-4-amino-1,2-naphthoquinone; 81620-95-3; 4-((3,4-Dimethyl-5-isoxazolyl)imino)-2-hydroxy-1(4H)-naphthalenone; NSC673787; BRN 1005485; 3,4-Dianq; 81620-91-9; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone imine; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinoneimine; 1,4-Naphthoquinone imine, N-(3,4-dimethyl-5-isoxazolyl)-2-hydroxy-; 2-Hydroxy-N-(3,4-dimethyl-5-isoxazolyl)-1,4-naphthoquinone-4-imine; 2-Hidroxi-N-(3,4-dimetil-5-isoxazolil)-1,4-naftoquinona-4-imina [Italian]; SCHEMBL3272156; SCHEMBL5065021; CHEMBL2001103; DTXSID50231226; 1,2-Naphthalenedione, 4-((3,4-dimethyl-5-isoxazolyl)amino)-; 2-Hidroxi-N-(3,4-dimetil-5-isoxazolil)-1,4-naftoquinona-4-imina; 1(4H)-Naphthalenone, 4-((3,4-dimethyl-5-isoxazolyl)imino)-2-hydroxy-; NSC-673787; NCI60_026108; 2-Hydroxy-N-(3,4-dimethylisoxazol-5-yl)-1,4-naphthoquinone imine; (4E)-4-(3,4-dimethylisoxazol-5-yl)imino-2-hydroxy-naphthalen-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673787	.	.	.	.	268.27	C15H12N2O3	72.2	460	2.3	20	1	5	2	"InChI=1S/C15H12N2O3/c1-8-9(2)17-20-15(8)16-12-7-13(18)14(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3"	CC1=C(ON=C1C)NC2=CC(=O)C(=O)C3=CC=CC=C32	VNVKTYUMZHBALO-UHFFFAOYSA-N
DG50932	12a-Hydroxydalpanol	134875	"12a-hydroxydalpanol; 85042-77-9; (1R,6R,13R)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; DH-2,6-OH-rotenone; NSC646924; 1',2'-Dihydro-2',6-dihydroxyrotenone; 12Abeta-Hydroxydalpanol; CHEMBL515078; DTXSID801005413; ZINC5824063; MCULE-3642569299; NSC-646924; NCI60_016219; NCGC00385138-01!; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R-(2alpha,6aalpha,12aalpha))-; 6a-Hydroxy-2-(2-hydroxypropan-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646924	.	.	.	.	428.4	C23H24O8	104	712	2.1	31	2	8	3	"InChI=1S/C23H24O8/c1-22(2,25)18-7-12-14(30-18)6-5-11-20(12)31-19-10-29-15-9-17(28-4)16(27-3)8-13(15)23(19,26)21(11)24/h5-6,8-9,18-19,25-26H,7,10H2,1-4H3/t18-,19-,23-/m1/s1"	CC(C)([C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O	NSFCLBVWJYYZMR-DNVFCKCGSA-N
DG50933	"2,4-Pyrimidinediamine, 5-phenyl-6-(phenylmethyl)-"	135015	"2,4-Pyrimidinediamine, 5-phenyl-6-(phenylmethyl)-; 35650-73-8; BRN 0543625; 2,4-Diamino-5-phenyl-6-benzylpyrimidine; 5-Phenyl-6-(phenylmethyl)-2,4-pyrimidinediamine; 5-25-12-00288 (Beilstein Handbook Reference); DTXSID80189160"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135015	.	.	.	.	276.34	C17H16N4	77.8	310	3.2	21	2	4	3	"InChI=1S/C17H16N4/c18-16-15(13-9-5-2-6-10-13)14(20-17(19)21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21)"	C1=CC=C(C=C1)CC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3	QDWJCZSWOFJJHM-UHFFFAOYSA-N
DG50934	"5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone"	136417	"5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone; 1176-88-1; 5-OH-HxMF; UNII-07JTS22V9J; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-chromen-4-one; 07JTS22V9J; CHEMBL422237; 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone; 5-hydroxy-3,3',4',6,7,8-hexamethoxyflavone; MLS000876958; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-; SCHEMBL507435; cid_136417; MEGxp0_001193; ACon1_000728; DTXSID50151834; HMS2267M18; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one; BDBM50064899; LMPK12113343; NSC618935; NSC-618935; NCI60_005671; SMR000440656; 3,6,7,8,3',4'-Hexamethoxy-5-hydroxyflavone; 5-hydroxy-3,6,7,8,3'',4''-hexamethoxyflavone; BRD-K29611061-001-01-0; Q27236309; 2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618935	.	.	.	.	418.4	C21H22O9	102	636	3.4	30	1	9	7	"InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)OC	JDVPHCLYMGBZLE-UHFFFAOYSA-N
DG50935	Phenyl prop-1-ynyl sulphone	137626	Phenyl prop-1-ynyl sulphone; 2525-41-9; NSC168905; propynyl phenyl sulfone; 1-phenylsulphonylpropyne; Phenyl(1-propynyl) sulfone; SCHEMBL6096070; CHEMBL2006209; DTXSID80179905; ZINC1673901; NSC 168905; NSC-168905	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168905	.	.	.	.	180.23	C9H8O2S	42.5	290	2.1	12	0	2	1	"InChI=1S/C9H8O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-7H,1H3"	CC#CS(=O)(=O)C1=CC=CC=C1	LYYXDHMLCDVGGI-UHFFFAOYSA-N
DG50936	(2-Benzimidazolylthio)-acetic acid	137805	"3042-00-0; (2-Benzimidazolythio)acetic acid; (2-BENZIMIDAZOLYLTHIO)ACETIC ACID; (2-Benzimidazolylthio)-acetic acid; (1H-Benzoimidazol-2-ylsulfanyl)acetic acid; (1H-benzimidazol-2-ylthio)acetic acid; 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid; NSC14186; 2-((1H-benzo[d]imidazol-2-yl)thio)acetic acid; CHEMBL394385; 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetic acid; NSC-14186; (1H-benzimidazol-2-ylsulfanyl)acetic acid; (1H-benzimidazol-3-ium-2-ylsulfanyl)acetate; 2-(1H-benzo[d]imidazol-2-ylthio)acetic acid; Maybridge1_003613; ChemDiv1_000072; Cambridge id 5131438; NCIStruc1_000413; NCIStruc2_001172; Oprea1_133238; Oprea1_618077; CBDivE_001689; MLS000530168; SCHEMBL3515244; HMS551M05; HMS587D06; ZINC60423; DTXSID70184508; HMS2354L22; (2-benzimidazolylthio) acetic acid; 2-(Benzimidazolylthio) acetic acid; ALBB-004692; NCI14186; 2-(2-benzimidazolylthio)acetic acid; 9604AD; BBL000069; BDBM50371224; CCG-38162; MFCD00022673; NCGC00013185; NSC 14186; STK387529; AKOS000206221; MCULE-8529845524; (1H-Benzoimidazole-2-ylthio)acetic acid; NCGC00013185-02; NCGC00096306-01; MS-11241; NCI60_000921; SMR000135145; DB-047777; BB 0219685; EU-0001033; FT-0604602; Acetic acid, 2-(1H-benzimidazol-2-ylthio)-; 2-(1H-1,3-benzimidazol-2-ylsulfanyl)acetic acid; AE-641/00387011; W-202255; Z55903459; F0039-0156"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14186	.	.	.	.	208.24	C9H8N2O2S	91.3	225	1.7	14	2	4	3	"InChI=1S/C9H8N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)"	C1=CC=C2C(=C1)NC(=N2)SCC(=O)O	UYNVBLJQBCTRKV-UHFFFAOYSA-N
DG50937	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid"	138417	"5115-65-1; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid; 19506-85-5; 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid; NSC27515; N-Phthalyl-DL-valine; 2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid; Phthalyl-DL-valine; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyric acid; N-Phthaloyl-L-valine; 2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoic acid; MFCD00043587; PHT-DL-VAL-OH; MFCD00191000; NSC-27515; N-phthalyl valine; Phthaloyl-DL-Valine; TimTec1_004995; Oprea1_618998; SCHEMBL511872; 2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo-; CHEMBL1998126; DTXSID00965423; HMS1548D01; ALBB-009411; 3-Methyl-2-phthalimidylbutanoic acid; BBL002517; NSC 22912; NSC 27515; STK387388; 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-; AKOS000114636; AKOS016040457; FS-4367; MCULE-9293149973; SB64541; SB65571; N-(1-Carboxy-2-methylpropyl)phthalimide; NCI60_002238; SY264512; EU-0033596; FT-0679556; FT-0698713; A871356; SR-01000390314; SR-01000390314-1; 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acid; F0827-0161; 2-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)SUCCINICACID; 2-Isoindolineacetic acid, 1,3-dioxo-.alpha.-isopropyl-, l-,; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid #; 2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(1-methylethyl)-1,3-dioxo-; 2H-Isoindole-2-acetic acid,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-; 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-(1-methylethyl)-1,3-dioxo-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	27515	.	.	.	.	247.25	C13H13NO4	74.7	367	1.9	18	1	4	3	"InChI=1S/C13H13NO4/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-7,10H,1-2H3,(H,17,18)"	CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O	UUIPGCXIZVZSEC-UHFFFAOYSA-N
DG50938	1-(4-Methoxyphenylazo)-2-naphthol	139450	"1-(4-Methoxyphenylazo)-2-naphthol; 13411-91-1; 1-[(4-methoxyphenyl)diazenyl]naphthalen-2-ol; 2-Naphthalenol, 1-[(4-methoxyphenyl)azo]-; 1-[(E)-(4-Methoxyphenyl)diazenyl]-2-naphthol; NSC70811; SCHEMBL8428506; CHEMBL1975744; 1-(p-methoxyphenylazo)-2-naphthol; NSC 70811; NSC-70811; ZINC17327079; ZINC100488884; ZINC103295767; CCG-247171; MCULE-4579123795; NCI60_038344; 1-[(4-Methoxyphenyl)diazenyl]-2-naphthol; 1,2-Naphthalenedione, 1-[(4-methoxyphenyl)hydrazone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70811	.	.	.	.	278.3	C17H14N2O2	54.2	353	4.1	21	1	4	3	"InChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)18-19-17-15-5-3-2-4-12(15)6-11-16(17)20/h2-11,20H,1H3"	COC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O	XYVPTQBXFHRJJR-UHFFFAOYSA-N
DG50939	Methyl 3-bromo-2-(bromomethyl)propionate	140895	"22262-60-8; Methyl 3-bromo-2-(bromomethyl)propionate; Methyl 3-bromo-2-(bromomethyl)propanoate; METHYL 2-BIS-(BROMOMETHYL)-ACETATE; 3-Bromo-2-bromomethyl-propionic acid methyl ester; Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester; Methyl Bis(bromomethyl)acetate; NSC620109; SCHEMBL329106; CHEMBL1974159; DTXSID00176810; ACT03014; ZINC1615962; Methyl beta,beta'-Dibromoisobutyrate; MFCD00011534; AKOS009157094; NSC-620109; AS-38076; NCI60_005942; U873; DB-045858; A4781; CS-0112200; FT-0638206; M2066; Methyl 3-bromo-2-(bromomethyl)propanoate #; EN300-61326; Methyl 3-bromo-2-(bromomethyl)propionate, 98%; 262M608; 2-(Bromomethyl)-3-bromopropionic acid methyl ester; 3-bromo-2-(bromomethyl)-propionic acid methyl ester; 3-Bromo-2-(bromomethyl)propionic Acid Methyl Ester; J-014613"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	620109	.	.	.	.	259.92	C5H8Br2O2	26.3	91	1.6	9	0	2	4	"InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3"	COC(=O)C(CBr)CBr	USXVPPOARMSYGY-UHFFFAOYSA-N
DG50940	3-Allyl-2-hydroxybenzaldehyde	141062	"3-Allyl-2-hydroxybenzaldehyde; 24019-66-7; 3-Allylsalicylaldehyde; 3-Allyl-2-hydroxy-benzaldehyde; 2-hydroxy-3-prop-2-enylbenzaldehyde; Benzaldehyde, 2-hydroxy-3-(2-propenyl)-; Salicylaldehyde, 3-allyl-; 2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde; 2-Hydroxy-3-allylbenzaldehyde; 3-Allylsalicylaldehyde, 97%; SCHEMBL617923; 3-Allyl-2-hydroxybenzaldehyde #; DTXSID80178751; ACT00896; ALBB-018715; BCP15030; ZINC1420514; MFCD00037364; NSC775632; AKOS000300715; MCULE-5036151620; NSC-775632; PS-5911; DB-010051; FT-0614893; W4757; X4650; O10931; 019A667; A817043; ETHYLENEDIAMINE-N,N-DIACETIC-N,N-DIPROPIONICACID; 3-allyl-2-hydroxy-benzaldehyde;3-Allyl-2-hydroxybenzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	775632	.	.	.	.	162.18	C10H10O2	37.3	165	2.7	12	1	2	3	"InChI=1S/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2"	C=CCC1=C(C(=CC=C1)C=O)O	INLWEXRRMUMHKB-UHFFFAOYSA-N
DG50941	"4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde"	141295	"4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde; 26459-95-0; 4-[Bis(2-chloroethyl)amino]-2-methylbenzaldehyde; 4-NN-Bis(2-chloroethyl)amino-2-tolualdehyde; o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-; MLS002702989; SMR001566798; Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-methyl-; 4-(Bis(2-chloroethyl)amino)-2-methylbenzaldehyde; NSC49520; cid_141295; CHEMBL1720301; SCHEMBL10333910; BDBM91407; DTXSID90181054; ZINC1681422; MFCD00043520; NSC 49520; NSC-49520; AKOS027381132; NCI60_004188; DB-080775; FT-0619308; 4-N,N-bis-(2-chloroethyl)amino-2-tolualdehyde; 4-[bis(2-chloroethyl)amino]-2-methyl-benzaldehyde; 4-[Bis(2-chloroethyl)amino]-2-methylbenzaldehyde #; 4-[bis[2-chloro-ethyl]amino]-2-methyl-benzaldehyde; 4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49520	.	.	.	.	260.16	C12H15Cl2NO	20.3	207	3.1	16	0	2	6	"InChI=1S/C12H15Cl2NO/c1-10-8-12(3-2-11(10)9-16)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=O	ZQIAXDULHBLZJE-UHFFFAOYSA-N
DG50942	8-Hydroxyquinoline salicylate	142766	"2439-07-8; 8-Hydroxyquinoline salicylate; NSC3907; Oxyquinoline salicylate; Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1); UNII-98Z1AMM4PS; 98Z1AMM4PS; Quinolin-8-ol 2-hydroxybenzoate; NSC-3907; 2-hydroxybenzoic acid;quinolin-8-ol; 8-Quinolinol Salicylic acid (1:1); DSSTox_CID_25081; DSSTox_RID_80656; DSSTox_GSID_45081; CAS-2439-07-8; Salicylate of 8-oxyquinoline; 8-Quinolinol, salicylate (salt); NSC 3907; EINECS 219-457-4; 2-hydroxybenzoic acid; quinolin-8-ol; SCHEMBL891989; Salicylic acid, compound with quinolin-8-ol (1:1); 2-hydroxybenzoic acid compound with 8-quinolinol (1:1); CHEMBL1366480; DTXSID1045081; NCI3907; Tox21_110005; CCG-37737; NCGC00013042; Tox21_110005_1; NCGC00013042-01; NCGC00013042-02; NCGC00096169-01; NCGC00159447-07; NCI60_003700; A928456; Q27272152; Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1) (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3907	.	.	.	.	283.28	C16H13NO4	90.6	270	.	21	3	5	1	"InChI=1S/C9H7NO.C7H6O3/c11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-4-2-1-3-5(6)7(9)10/h1-6,11H;1-4,8H,(H,9,10)"	C1=CC=C(C(=C1)C(=O)O)O.C1=CC2=C(C(=C1)O)N=CC=C2	GOEKBPHGLUYFOX-UHFFFAOYSA-N
DG50943	Amphethinile	146332	"Amphethinile; 91531-98-5; 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile; MLS002701722; Amphetinile;CRC 82-07; UNII-RC773C3LTD; 2-Amino-3-cyano-5-(phenylthio)indole; RC773C3LTD; 1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-; NSC383336; SMR001565319; 2-Amino-5-(phenylthio)-1H-indole-3-carbonitrile; Ici 134,154; cid_146332; SCHEMBL5857833; CHEMBL1709730; BDBM80993; DTXSID50238614; ZINC1592871; ICI 134154; NSC-383336; NCI60_003673; HY-100190; CS-0018184; 2-azanyl-5-phenylsulfanyl-1H-indole-3-carbonitrile; 5-phenylsulphanyl-2-amino-1H-indole-3-carbonitrile; Q9149991"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	383336	.	.	.	.	265.3	C15H11N3S	90.9	358	4	19	2	3	2	"InChI=1S/C15H11N3S/c16-9-13-12-8-11(6-7-14(12)18-15(13)17)19-10-4-2-1-3-5-10/h1-8,18H,17H2"	C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N	LHNIUFUSFGYJEO-UHFFFAOYSA-N
DG50944	"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146591	"116385-23-0; NSC601098; CHEMBL1974685; DTXSID10922027; NSC-601098; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(4-methoxyphenyl)-6-methyl-; 7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004513; 8-(4-Methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601098	.	.	.	.	314.3	C18H18O5	57.2	422	3.2	23	1	5	2	"InChI=1S/C18H18O5/c1-18(19)9-14(11-3-5-12(20-2)6-4-11)13-7-16-17(22-10-21-16)8-15(13)23-18/h3-8,14,19H,9-10H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)O	SKEQREZONVCYKI-UHFFFAOYSA-N
DG50945	"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol"	146599	"116408-96-9; NSC375505; Oprea1_818465; CHEMBL1974446; SCHEMBL19419799; DTXSID30922044; AKOS024419424; MCULE-3350937928; NSC-375505; 2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol; NCI60_003525; Phenol, 2-(7,8-dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxy-; 2-MEO-6-(6-ME-6-PYRROLIDIN-1-YL-2H-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-8-YL)-PHENOL; 2-Methoxy-6-[6-methyl-6-(pyrrolidin-1-yl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375505	.	.	.	.	383.4	C22H25NO5	60.4	555	4	28	1	6	3	"InChI=1S/C22H25NO5/c1-22(23-8-3-4-9-23)12-16(14-6-5-7-17(25-2)21(14)24)15-10-19-20(27-13-26-19)11-18(15)28-22/h5-7,10-11,16,24H,3-4,8-9,12-13H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5	CRSJWEZUGYNWDK-UHFFFAOYSA-N
DG50946	"1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine"	146604	"116409-04-2; NSC375501; Neuro_000213; CHEMBL1975667; SCHEMBL19419832; DTXSID30922049; AKOS024419430; MCULE-5995420934; NSC-375501; 1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003522; Pyrrolidine, 1-(7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; 1-[7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl]pyrollidine; 1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375501	.	.	.	.	427.5	C24H29NO6	58.6	587	4.6	31	0	7	5	"InChI=1S/C24H29NO6/c1-14-22(15-9-20(26-2)23(28-4)21(10-15)27-3)16-11-18-19(30-13-29-18)12-17(16)31-24(14)25-7-5-6-8-25/h9-12,14,22,24H,5-8,13H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	LRLXUQCQYHLPOQ-UHFFFAOYSA-N
DG50947	"7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146605	"116409-05-3; NSC381586; CHEMBL2001947; SCHEMBL19419813; DTXSID40922050; AKOS024419428; MCULE-1626170771; NSC-381586; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_003617; 7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]-benzopyran; 7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381586	.	.	.	.	374.4	C20H22O7	75.6	489	3.4	27	1	7	4	"InChI=1S/C20H22O7/c1-10-18(11-5-16(22-2)19(24-4)17(6-11)23-3)12-7-14-15(26-9-25-14)8-13(12)27-20(10)21/h5-8,10,18,20-21H,9H2,1-4H3"	CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	RBDOZECECGJHSC-UHFFFAOYSA-N
DG50948	"1-(7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine"	146609	"MLS002701869; 116409-20-2; NSC371010; Neuro_000209; CHEMBL1699663; SCHEMBL19419841; DTXSID80922054; AKOS024419435; MCULE-5334087723; NSC-371010; 1-(7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003418; Pyrrolidine, 1-(7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; SMR001565459; 1-(6,7-DI-ME-8-(3,4,5-TRI-MEO-PH)-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-YL)-PYRROLIDINE; 1-[6,7-Dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine; 6H-1,5-g][1]benzopyran, 7,8-dihydro-6,7- dimethyl-8-(3,4,5-trimethoxyphenyl)-6-(1H-pyrrole-1-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371010	.	.	.	.	441.5	C25H31NO6	58.6	630	4.8	32	0	7	5	"InChI=1S/C25H31NO6/c1-15-23(16-10-21(27-3)24(29-5)22(11-16)28-4)17-12-19-20(31-14-30-19)13-18(17)32-25(15,2)26-8-6-7-9-26/h10-13,15,23H,6-9,14H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC	SMDGYUXIZWCCHF-UHFFFAOYSA-N
DG50949	"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-"	146610	"116409-21-3; NSC600023; CHEMBL1974177; SCHEMBL19419803; DTXSID40922055; NSC-600023; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004463; 6H-1,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-; 6,7-Dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600023	.	.	.	.	388.4	C21H24O7	75.6	531	3.6	28	1	7	4	"InChI=1S/C21H24O7/c1-11-19(12-6-17(23-3)20(25-5)18(7-12)24-4)13-8-15-16(27-10-26-15)9-14(13)28-21(11,2)22/h6-9,11,19,22H,10H2,1-5H3"	CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC	QSGVFQHJEFDOAR-UHFFFAOYSA-N
DG50950	"1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine"	146614	"116409-25-7; 1-[6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine; NSC371002; Podophyllotoxin deriv. (jurd); CHEMBL1981704; SCHEMBL19419781; DTXSID80922059; AKOS024282427; MCULE-9172748893; NSC 371002; NSC-371002; 1-(7,8-Dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine; NCI60_003417; Pyrrolidine, 1-(7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-; 1-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine; 6H-1,5-g][1]benzopyran, 7,8-dihydro-6-methyl- 6-(1-pyrrolidinyl)-8-(3,4,5-trimethoxyphenyl)-; Pyrrolidine,8-dihydro-6-methyl-8-(3,4,5- trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran- 6-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371002	.	.	.	.	427.5	C24H29NO6	58.6	601	4.3	31	0	7	5	"InChI=1S/C24H29NO6/c1-24(25-7-5-6-8-25)13-17(15-9-21(26-2)23(28-4)22(10-15)27-3)16-11-19-20(30-14-29-19)12-18(16)31-24/h9-12,17H,5-8,13-14H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCCC5	LCDPJXWAINCJQE-UHFFFAOYSA-N
DG50951	"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-"	146631	"116409-26-8; NSC381578; CHEMBL1975264; SCHEMBL19419783; DTXSID90922060; NSC-381578; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-; 7,8-Dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_003616; 6H-1,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-methyl-8-(3,4,5-trimethoxyphenyl)-; 8-(3,4,5-Trimethoxyphenyl)-7,8-dihydro-6-methyl-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-ol; 6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381578	.	.	.	.	374.4	C20H22O7	75.6	503	3.1	27	1	7	4	"InChI=1S/C20H22O7/c1-20(21)9-13(11-5-17(22-2)19(24-4)18(6-11)23-3)12-7-15-16(26-10-25-15)8-14(12)27-20/h5-8,13,21H,9-10H2,1-4H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)O	FNMCXUGVHHIANS-UHFFFAOYSA-N
DG50952	"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146661	"NSC602340; 117211-14-0; NSC 602340; CHEMBL1964362; SCHEMBL19425610; DTXSID30922322; NSC-602340; 7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-; NCI60_004559; 8-(2-Hydroxy-3-methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602340	.	.	.	.	330.3	C18H18O6	77.4	459	2.8	24	2	6	2	"InChI=1S/C18H18O6/c1-18(20)8-12(10-4-3-5-13(21-2)17(10)19)11-6-15-16(23-9-22-15)7-14(11)24-18/h3-7,12,19-20H,8-9H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)O	DZDDYTVGTMPQDK-UHFFFAOYSA-N
DG50953	"7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	146671	"117211-92-4; NSC601100; SCHEMBL7652286; CHEMBL1964734; DTXSID20922331; NSC-601100; 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(3-methoxyphenyl)-6-methyl-; 7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol; NCI60_004514; 8-(3-Methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601100	.	.	.	.	314.3	C18H18O5	57.2	430	3.2	23	1	5	2	"InChI=1S/C18H18O5/c1-18(19)9-14(11-4-3-5-12(6-11)20-2)13-7-16-17(22-10-21-16)8-15(13)23-18/h3-8,14,19H,9-10H2,1-2H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=CC=C4)OC)O	OBEWQTCNLDQARO-UHFFFAOYSA-N
DG50954	"(+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester"	147453	"119880-05-6; CHEMBL1964795; DTXSID30923132; NSC676515; NSC-676515; (+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester; NCI60_027081; 1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)-oxy]methyl}indoline; tert-Butyl 6-hydroxy-3-{[(methanesulfonyl)oxy]methyl}-2,3-dihydro-1H-indole-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	676515	.	.	.	.	343.4	C15H21NO6S	102	535	1.6	23	1	6	5	"InChI=1S/C15H21NO6S/c1-15(2,3)22-14(18)16-8-10(9-21-23(4,19)20)12-6-5-11(17)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3"	CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C	YBIFXPUUHIBODV-UHFFFAOYSA-N
DG50955	Pentamethylmelamine hydrochloride	147623	"Pentamethylmelamine hydrochloride; UNII-MVW40QV81B; 35832-09-8; MVW40QV81B; NSC118742; NSC-118742; 1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentamethyl-, monohydrochloride; Pentamethylmelamine monoHCl; 2-N,2-N,4-N,4-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride; Pentamethylmelamine monohydrochloride; NSC 118742; Melamine, N2,N2,N4,N4,N6-pentamethyl-; PENTAMETHYLMELAMINE HCL; CHEMBL1970304; SCHEMBL15346326; DTXSID80189367; N,N,N',N',N''-Pentamethyl-1,3,5-triazine-2,4,6-triamine monohydrochloride; Melamine,N2,N4,N4,N6-pentamethyl-, monohydrochloride; Q27284263; 1,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentamethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118742	.	.	.	.	232.71	C8H17ClN6	57.2	155	.	15	2	6	3	"InChI=1S/C8H16N6.ClH/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5;/h1-5H3,(H,9,10,11,12);1H"	CNC1=NC(=NC(=N1)N(C)C)N(C)C.Cl	GTXYDUGJWZBXOI-UHFFFAOYSA-N
DG50956	"Methyl 3,4-dichloro-5-nitro-2-furoate"	147711	"methyl 3,4-dichloro-5-nitrofuran-2-carboxylate; 122587-23-9; Methyl 3,4-dichloro-5-nitro-2-furoate; NSC616362; 122587-22-8; 2-Methoxycarbonyl-3,4-dichloro-5-nitrofuran; 2-Furancarboxylicacid,5-amino-3,4-dichloro-,methylester(9CI); CCRIS 8289; CCRIS 8291; Methyl 3,4-dichloro-5-nitro-2-furancarboxylate; methyl 3,4-dichloro-5-nitro-furan-2-carboxylate; Methyl-3,4-dichloro-5-nitro-2-furoate; 2-Furancarboxylic acid, 3,4-dichloro-5-nitro-, methyl ester; CHEMBL1967067; SCHEMBL17183605; DTXSID10924208; ZINC1612999; NSC-616362; NCI60_005061; METHYL 3,4-DICHLORO-5-AMINO-2-FUROATE; 3,4-Dichloro-5-nitro-2-furoic acid methyl ester; Methyl 3,4-dichloro-5-(hydroxy(oxido)amino)-2-furoate; 2-Furancarboxylic acid,4-dichloro-5-nitro-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	616362	.	.	.	.	239.99	C6H3Cl2NO5	85.3	255	2.6	14	0	5	2	InChI=1S/C6H3Cl2NO5/c1-13-6(10)4-2(7)3(8)5(14-4)9(11)12/h1H3	COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl	AUKVSIJCWIMUMD-UHFFFAOYSA-N
DG50957	Anhydrofusarubin lactol	148043	"Anhydrofusarubin lactol; 119975-66-5; NSC626482; 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione; Neuro_000258; CHEMBL1992442; DTXSID40923163; NCI60_008367; 1H-naphtho[2,3-c]pyran-6,9-dione der.; 1,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione; 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	626482	.	.	.	.	304.25	C15H12O7	113	578	1.9	22	3	7	1	"InChI=1S/C15H12O7/c1-5-3-6-9(15(20)22-5)14(19)10-7(16)4-8(21-2)13(18)11(10)12(6)17/h3-4,15,17,19-20H,1-2H3"	CC1=CC2=C(C(O1)O)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O	KBYFQSOWBFNZAW-UHFFFAOYSA-N
DG50958	Unii-0I81858vsz	148091	"GL-331; 127882-73-9; UNII-0I81858VSZ; CHEMBL283631; 0I81858VSZ; NSC628672; (5R,5aR,8aS,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-, (5R,5aR,8aS,9S)-; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[(4-nitrophenyl)amino]-, (5R,5aR,8aS,9S)-; NSC 628672; SCHEMBL5953587; DTXSID40155689; GL331; ZINC8652994; BDBM50524833; GL 331; (5R-(5alpha,5abeta,8aalpha,9beta))-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one; (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one; 5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-((4-nitrophenyl)amino)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, (5R-(5alpha,5abeta,8aalpha,9beta))-; Q27236812; (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628672	.	.	.	.	520.5	C27H24N2O9	141	863	3.9	38	2	10	5	"InChI=1S/C27H24N2O9/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-3-5-15(6-4-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1"	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]	DLROLUIVVKTFPW-LVEBQJTPSA-N
DG50959	Pralatrexate	148121	"Pralatrexate; 146464-95-1; Folotyn; 10-Propargyl-10-deazaaminopterin; HSDB 7786; Pralatrexate(Folotyn); PDX; CHEBI:71223; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid; (2S)-2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioic acid; 146464-95-1 (racemic); L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-; NSC-754230; (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid; NCGC00242596-01; (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}amino)pentanedioic acid; (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid; N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid; N -(4-{1-[(2,4-diaminopteridin-6-yl)methyl]but-3-yn-1-yl}benzoyl)-L-glutamic acid; Folotyn (TN); Pralatrexate [USAN:INN]; pralatrexato; pralatrexatum; DSSTox_CID_28504; DSSTox_RID_82776; N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamic Acid; DSSTox_GSID_48578; SCHEMBL21633; GTPL6840; Pralatrexate (JAN/USAN/INN); CHEMBL1201746; DTXSID3048578; SCHEMBL15075302; BCPP000101; EX-A2142; Tox21_112906; 2667AH; BDBM50457437; MFCD00920897; NSC754230; s1497; AKOS015966891; AM84423; CCG-269517; CS-0504; DB06813; NSC 754230; QC-3214; s11194; 10-Propargyl-10-deazaaminopterin, 95%; NCGC00386226-01; AC-28388; BS-15438; HY-10446; CAS-146464-95-1; SW220187-1; D05589; AB00443251-02; AB00443251_04; 464P951; A884505; Q637059; SR-01000941578; J-008227; SR-01000941578-1; L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid;Pralatrexate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	754230	.	.	.	.	477.5	C23H23N7O5	207	809	-0.9	35	5	11	10	"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14 ,16-/m0/s1"	C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	OGSBUKJUDHAQEA-WMCAAGNKSA-N
DG50961	2-[4-(7-Chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid	148183	"157435-10-4; XK469; NSC 697887; NSC697887; 157435-10-4 (free); 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid; XK-469; 2-(4-((7-chloroquinoxalin-2-yl)oxy)phenoxy)propanoic acid; 2-(4-((7-Chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid; 2-[4-[(7-chloro-2-quinoxalinyl)oxy]phenoxy]Propanoic acid; NSC-698216; NSC656889; Propanoic acid, (+/-)-; 157542-92-2; xk-469 free acid; CHEMBL51302; SCHEMBL1958606; XK-469S; 2-(4-((7-Chloro-2-quinoxalinyl)oxy)-phenoxy)-propionic acid; NSC698216; NSC-697887; XK469, >=98% (HPLC), solid; DA-09831; NCI60_019673; NCI60_034965; NCI60_035160; FT-0711452; Q27273813; 2-[4-(7-chloro-2-quinoxalinyl)oxyphenoxy]-propionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	656889	.	.	.	.	344.7	C17H13ClN2O4	81.5	431	3.6	24	1	6	5	"InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)"	CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl	NUQZXROIVGBRGR-UHFFFAOYSA-N
DG50962	Irofulven	148189	"Irofulven; HMAF; MGI 114; 158440-71-2; 6-Hydroxymethylacylfulvene; (-)-Irofulven; NSC 683863; MGI-114; UNII-6B799IH05A; 6B799IH05A; (5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one; NSC-683863; 6-(Hydroxymethyl)acylfulvene; Acylfulvene, 6-(hydroxymethyl)-; Irofulven [USAN:INN]; (hydroxymethyl)acylfulvene; MGI.114; Irofulven (USAN/INN); SCHEMBL8800; CHEMBL118218; DTXSID50166423; CHEBI:135002; ZINC3916310; BDBM50410835; LP-100; NSC683863; AKOS027256650; DB05786; (R)-6'-Hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one; (R)-6'-hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethylspiro[cyclopropane-1,5'-inden]-7'(6'H)-one; HY-14429; NCI60_030149; Spiro(cyclopropane-1,5'(5H)-inden)-7'(6'H)-one, 6'-hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethyl-, (R)-; CS-0003353; D04614; Q6072197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683863	.	.	.	.	246.3	C15H18O3	57.5	558	-0.2	18	2	3	1	"InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1"	CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO	NICJCIQSJJKZAH-AWEZNQCLSA-N
DG50963	Karenitecin	148202	"Karenitecin; Cositecan; 203923-89-1; Karenitecin (Cositecan); BNP1350; BNP 1350; UNII-24R60NVC41; Cositecan;BNP 1350; BNP-1350; 24R60NVC41; Karenitecin (TN); (19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione; (S)-4-ethyl-4-hydroxy-11-(2-(trimethylsilyl)ethyl)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione.; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-[2-(trimethylsilyl)ethyl]-, (4S)-; Cositecan [USAN:INN]; Karentecin; Cositecan (USAN); DB 172; SCHEMBL2315201; 7-Trimethylsilylethylcamptothecin; CHEMBL1997373; DTXSID90174340; CHEBI:177492; NSC710270; ZINC169746728; DB05806; NSC-710270; HY-14812; NCI60_038797; CS-0003573; D09327; 923K891; Q27095699; (4S)-4-Ethyl-4-hydroxy-11-(2-(trimethylsilyl)ethyl)-1,12-dihydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H)-dione; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-(2-trimethylsilyl)ethyl)-, (4S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	710270	.	.	.	.	448.6	C25H28N2O4Si	79.7	891	.	32	1	5	4	"InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O	POADTFBBIXOWFJ-VWLOTQADSA-N
DG50964	"Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate"	148552	"51963-58-7; Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate; NSC150440; NSC 150440; DTXSID50199933; NSC-150440; N-(3-Methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)methanesulfonamide monomethanesulfonate; Methanesulfonamide, monomethanesulfonate (MF1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150440	.	.	.	.	503.6	C23H25N3O6S2	151	745	.	34	3	9	5	"InChI=1S/C22H21N3O3S.CH4O3S/c1-14-7-6-9-17-21(14)23-18-10-5-4-8-16(18)22(17)24-19-12-11-15(13-20(19)28-2)25-29(3,26)27;1-5(2,3)4/h4-13,25H,1-3H3,(H,23,24);1H3,(H,2,3,4)"	CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.CS(=O)(=O)O	HVOJSINFDBMIRX-UHFFFAOYSA-N
DG50965	Ellipticine analog	148569	"52238-35-4; ELLIPTICINE ANALOG; 9-Hydroxyellipticine hydrochloride; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrochloride; UNII-6KBD4FD43H; 6KBD4FD43H; 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol;hydrochloride; 9-Hydroxyellipticine (hydrochloride); NSC264136; 6H-Pyrido(4,3-b)carbazol-9-ol, 5,11-dimethyl-, monohydrochloride; 6H-Pyrido[4,3-b]carbazol-9-ol, 5,11-dimethyl-, monohydrochloride; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazol-9-ol monohydrochloride; 9-Hydroxyellipticine HCl; NSC 264136; 9 OHE HCl; Ellipticine, hydrochloride; 9-hydroxyellipticine HCl salt; SCHEMBL8821075; DTXSID20966614; 9-Hydroxyellipticine chlorohydrate; BCP11301; CCA23835; EX-A5669; NSC210717; HY-101775A; NSC-210717; NSC-264136; CS-0104586; 6H-Pyrido[4, 5,11-dimethyl-, hydrochloride; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-9-ol--hydrogen chloride (1/1); 76448-45-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210717	.	.	.	.	298.8	C17H15ClN2O	48.9	374	.	21	3	2	0	"InChI=1S/C17H14N2O.ClH/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17;/h3-8,19-20H,1-2H3;1H"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl	DLDKVFOKLGPVBT-UHFFFAOYSA-N
DG50966	Amsacrine hydrochloride	148673	"Amsacrine hydrochloride; 54301-15-4; m-Amsa hydrochloride; M-Amsacrine; Amsacrine HCl; Amsacrine (hydrochloride); UNII-U66HX4K4CO; U66HX4K4CO; NSC 141549; N-(4-(Acridin-9-ylamino)-3-methoxyphenyl)methanesulfonamide hydrochloride; MFCD07799963; NCGC00093644-01; 4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine hydrochloride; 54301-15-4 (HCl); Methanesulfone-m-anisidine-4'-((9-acridinyl)amino) hydrochloride; MLS002153376; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride; NSC-141549; NCI-C03190; SMR000875352; C21H19N3O3S.ClH; CCRIS 9342; Methanesulfone-m-anisidine-4'-[(9-acridinyl)amino] hydrochloride; METHANESULFON-M-ANISIDIDE 4'-(9-ACRIDINYLAMINO)-,; 4'-(9-Acridinylamino)methanesulfon-m-aniside monohydrochloride; Methanesulfon-m-anisidine, 4'-((9-acridinyl)amino)-, hydrochloride; Methanesulfonyl-m-anisidine, 4'-(9-acridinylamino)-, monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)-methanesulfonamide monohydrochloride; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamidemonohydrochloride; DSSTox_CID_17186; DSSTox_RID_79305; DSSTox_GSID_37186; SCHEMBL1320825; acridinyl anisidide hydrochloride; CHEMBL1256655; DTXSID2037186; AOB4198; AMY33399; Tox21_111212; Tox21_500154; 3442AH; HY-13551A; Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride; NSC141549; s5627; CCG-221458; CS-1943; LP00154; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monohydrochloride (9CI); Methansulfon-m-aniside, monohydrochloride; NCGC00260839-01; LS-14847; CAS-54301-15-4; EU-0100154; FT-0658261; A 9809; Amsacrine hydrochloride, >=98% (TLC), powder; A830090; SR-01000075699; SR-01000075699-1; Q27290741; 4-(9-Acridinylamino)-N-(methanesulfonyl)-m-anisidine Hydrochloride / m-AMSA; N-(4-(9-ACRIDINYLAMINO)-3-METHOXYPHENYL)METHANESULFONAMIDE MONOHYDROCHLORIDE; AMSA hydrochloride;m-AMSA hydrochloride;CI-880 hydrochloride;SN-11841 hydrochloride;acridinyl anisidide hydrochloride; N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide; hydron; chloride;Amsacrine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141549	.	.	.	.	429.9	C21H20ClN3O3S	88.7	601	.	29	3	6	5	"InChI=1S/C21H19N3O3S.ClH/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-13,24H,1-2H3,(H,22,23);1H"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl	WDISRLXRMMTXEV-UHFFFAOYSA-N
DG50967	Amsacrine mesylate	148674	"Amsacrine mesylate; CI-880 methylsulfonate; UNII-7LWQ0T63UA; 54301-16-5; SN 11841; 7LWQ0T63UA; N-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide methanesulfonate; NSC 154948; 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide methanesulfonate; Methanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monomethanesulfonate; CHEMBL3229103; DTXSID70202670; NSC154948; NSC156303; NSC-154948; Q27268539; N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154948	.	.	.	.	489.6	C22H23N3O6S2	151	693	.	33	3	9	5	"InChI=1S/C21H19N3O3S.CH4O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-5(2,3)4/h3-13,24H,1-2H3,(H,22,23);1H3,(H,2,3,4)"	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O	KIDGPIWSXHBPDH-UHFFFAOYSA-N
DG50968	o-AMSA monomethanesulfonate	148799	"o-AMSA monomethanesulfonate; 57164-86-0; NSC156306; Methanesulfonamide, N-(4-(9-acridinylamino)-2-methoxyphenyl)-, monomethanesulfonate; NSC 156306; CHEMBL1975570; DTXSID10205807; N-(4-(9-Acridinylamino)-2-methoxyphenyl)methanesulfonamide methanesulfonate; NSC-156306; N-(4-(9-Acridinylamino)-2-methoxyphenyl)methanesulfonamide monomethanesulfonate; N-[4-(acridin-9-ylamino)-2-methoxy-phenyl]methanesulfonamide; methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156306	.	.	.	.	489.6	C22H23N3O6S2	151	693	.	33	3	9	5	"InChI=1S/C21H19N3O3S.CH4O3S/c1-27-20-13-14(11-12-19(20)24-28(2,25)26)22-21-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)21;1-5(2,3)4/h3-13,24H,1-2H3,(H,22,23);1H3,(H,2,3,4)"	COC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O	XTGHQDVFUMUYSW-UHFFFAOYSA-N
DG50969	"Sulfanilanilide, 4'-(9-acridinylamino)-"	148802	"Sulfanilanilide, 4'-(9-acridinylamino)-; 57164-91-7; 57164-61-1; 4'-(9-Acridinylamino)sulfanilanilide; BRN 0460107; CHEMBL48441; DTXSID40205810; Sulfanilanilide, monohydrochloride; ZINC5008936; NSC140701; NSC-140701; 4-Amino-N-[4-(9-acridinylamino)phenyl]benzenesulfonamide; 4'-(9-ACRIDINYLAMINO)SULFANILANILIDE, MONOHYDROCHLORIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140701	.	.	.	.	440.5	C25H20N4O2S	106	688	4.9	32	3	6	5	"InChI=1S/C25H20N4O2S/c26-17-9-15-20(16-10-17)32(30,31)29-19-13-11-18(12-14-19)27-25-21-5-1-3-7-23(21)28-24-8-4-2-6-22(24)25/h1-16,29H,26H2,(H,27,28)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N	VJNNPHQBMGZVQG-UHFFFAOYSA-N
DG50970	"Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate"	148869	"NSC156305; Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate; NSC-156305; 59987-92-7; N-(4-(9-Acridinylamino)phenyl)methanesulfonamide monomethanesulfonate; CHEMBL1567435; DTXSID50208690; Methanesulfonamide, methanesulfonate; CCG-37423; NCGC00014426; NCI156305; NCGC00014426-02; NCGC00097531-01; N-(4-(9-acridinylamino)phenyl)methanesulfonamide methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156305	.	.	.	.	459.5	C21H21N3O5S2	142	639	.	31	3	8	4	"InChI=1S/C20H17N3O2S.CH4O3S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20;1-5(2,3)4/h2-13,23H,1H3,(H,21,22);1H3,(H,2,3,4)"	CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O	RXTLRPVFJCADPD-UHFFFAOYSA-N
DG50971	"Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate"	148870	"MLS002702096; Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate; 59988-03-3; NSC243929; 4'-(9-Acridinylamino)-3'-methoxy-1-propanesulfonanilide methanesulfonate; 1-Propanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; CHEMBL1713613; DTXSID70208692; NSC-243929; 1-Propanesulfonamide, monomethanesulfonate; SMR001565664"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243929	.	.	.	.	517.6	C24H27N3O6S2	151	723	.	35	3	9	7	"InChI=1S/C23H23N3O3S.CH4O3S/c1-3-14-30(27,28)26-16-12-13-21(22(15-16)29-2)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23;1-5(2,3)4/h4-13,15,26H,3,14H2,1-2H3,(H,24,25);1H3,(H,2,3,4)"	CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	GJANYQFETOVQHN-UHFFFAOYSA-N
DG50972	Antibiotic UK 63052	149070	"Antibiotic UK 63052; NSC630678; 120763-23-7; Streptomyces antibiotic UK-63052; UK 63,052; Antibiotic UK-63052; Neuro_000276; STREPTOMYCES ANTIBIOTIC; CHEMBL1988760; NSC-630678; NCI60_009979; UK-63052; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-octamethyl-octaoxo-sec-butylsulfanyl-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630678	.	.	.	.	1169.3	C56H68N10O14S2	367	2480	5.3	82	6	18	7	"InChI=1S/C56H68N10O14S2/c1-11-29(4)82-52-43-51(76)66(10)56(23-28(56)3)54(78)80-25-36(61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41)44(69)57-30(5)48(73)63(7)38(26-81-52)50(75)65(9)55(22-27(55)2)53(77)79-24-37(45(70)58-31(6)49(74)64(43)8)62-47(72)42-40(68)21-33-17-13-15-19-35(33)60-42/h12-21,27-31,36-38,43,52,67-68H,11,22-26H2,1-10H3,(H,57,69)(H,58,70)(H,61,71)(H,62,72)"	CCC(C)SC1C2C(=O)N(C3(CC3C)C(=O)OCC(C(=O)NC(C(=O)N(C(CS1)C(=O)N(C4(CC4C)C(=O)OCC(C(=O)NC(C(=O)N2C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O)C	VABRZWDEEDQLRD-UHFFFAOYSA-N
DG50973	Antineoplastic-D630679	149075	"ANTINEOPLASTIC-D630679; NSC630679; 120796-23-8; UK 63598; UK 63,598; UK-63598; CHEMBL1979402; Streptomyces antibiotic UK-63598; NSC-630679; NCI60_009980; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-octamethyl-methylsulfanyl-octaoxo-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630679	.	.	.	.	1127.3	C53H62N10O14S2	367	2410	3.9	79	6	18	5	"InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)"	CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O	HBQDLHJADJTNRK-UHFFFAOYSA-N
DG50974	Antineoplastic-630680	149080	"ANTINEOPLASTIC-630680; NSC630680; 120832-02-2; UK-65662; UK 66,652; CHEMBL2003493; Streptomyces antibiotic UK-65662; NSC-630680; NCI60_009981; Antibiotic UK 63052, 7-(3-mercapto-N-methyl-S-(1-methylethyl)cysteine)-; 3-hydroxy-N-[[(3-hydroxyquinoline-2-carbonyl)amino]-isopropylsulfanyl-octamethyl-octaoxo-dispiro[[ ]]yl]quinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	630680	.	.	.	.	1155.3	C55H66N10O14S2	367	2460	4.7	81	6	18	6	"InChI=1S/C55H66N10O14S2/c1-26(2)81-51-42-50(75)65(10)55(22-28(55)4)53(77)79-24-35(60-45(70)40-38(66)19-31-15-11-13-17-33(31)58-40)43(68)56-29(5)47(72)62(7)37(25-80-51)49(74)64(9)54(21-27(54)3)52(76)78-23-36(44(69)57-30(6)48(73)63(42)8)61-46(71)41-39(67)20-32-16-12-14-18-34(32)59-41/h11-20,26-30,35-37,42,51,66-67H,21-25H2,1-10H3,(H,56,68)(H,57,69)(H,60,70)(H,61,71)"	CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC(C)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O	HDMUZLQWDPUHND-UHFFFAOYSA-N
DG50975	"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-"	149592	"NSC673791; 1,3-Propanediamine,  N-hexyl-N'-(1-nitro-9-acridinyl)-; 81483-79-6; N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine; CHEMBL1964528; DTXSID80231133; NSC-673791; NCI60_026112; 9,10-Dihydro-1-nitro-9-[[3-(hexylamino)propyl]imino]acridine; 9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673791	.	.	.	.	380.5	C22H28N4O2	82.8	470	6.2	28	2	5	10	"InChI=1S/C22H28N4O2/c1-2-3-4-7-14-23-15-9-16-24-22-17-10-5-6-11-18(17)25-19-12-8-13-20(21(19)22)26(27)28/h5-6,8,10-13,23H,2-4,7,9,14-16H2,1H3,(H,24,25)"	CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	NSZWREFZGBFSJX-UHFFFAOYSA-N
DG50976	"N-(1-Methylethyl)-N'-(1-nitro-9-acridinyl)-1,3-propanediamine"	149747	"NSC673790; 64670-74-2; CHEMBL1993871; DTXSID70983295; ZINC5493360; NSC-673790; NCI60_026111; N'-isopropyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine; 1,3-Propanediamine, N-(1-methylethyl)-N'-(1-nitro-9-acridinyl)-; N-(1-Methylethyl)-N'-(1-nitro-9-acridinyl)-1,3-propanediamine; 1-(Hydroxy(oxido)amino)-9-((3-(isopropylamino)propyl)amino)acridine; 3-[(1-Nitroacridin-9(10H)-ylidene)amino]-N-(propan-2-yl)propan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673790	.	.	.	.	338.4	C19H22N4O2	82.8	440	4.6	25	2	5	6	"InChI=1S/C19H22N4O2/c1-13(2)20-11-6-12-21-19-14-7-3-4-8-15(14)22-16-9-5-10-17(18(16)19)23(24)25/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,21,22)"	CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]	QXNCBKQFKXJKGD-UHFFFAOYSA-N
DG50977	"N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride"	149896	"81086-04-6; NSC331757; N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride; CHEMBL544825; NSC 331757; NSC-331757; 2-Anthracenecarboxamide, N-(4-(diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-, monohydrochloride; DS-011584; 2-Anthracenecarboxamide,10-dihydro-9,10-dioxo-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331757	.	.	.	.	428.9	C24H29ClN2O3	66.5	601	.	30	2	4	8	"InChI=1S/C24H28N2O3.ClH/c1-4-26(5-2)14-8-9-16(3)25-24(29)17-12-13-20-21(15-17)23(28)19-11-7-6-10-18(19)22(20)27;/h6-7,10-13,15-16H,4-5,8-9,14H2,1-3H3,(H,25,29);1H"	CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.Cl	YUZNGCKGMHDGCG-UHFFFAOYSA-N
DG50978	"Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	150003	"82586-00-3; NSC332890; Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; CHEMBL9740; SCHEMBL10912762; DTXSID60231898; ZINC18164906; Ethyl (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)carbamate; ethyl N-[5-amino-3-(4-methoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; NCI60_002915; (5-Amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido[3,4-d]pyrazin-7-yl)carbamic acid, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332890	.	.	.	.	341.4	C17H19N5O3	111	493	2	25	3	7	5	"InChI=1S/C17H19N5O3/c1-3-25-17(23)22-14-8-12-15(16(18)21-14)20-13(9-19-12)10-4-6-11(24-2)7-5-10/h4-8,19H,3,9H2,1-2H3,(H3,18,21,22,23)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)OC)N	DNVPMVJYQWFBIK-UHFFFAOYSA-N
DG50979	"Carbamic acid, (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester"	150031	"83269-07-2; NSC347217; Carbamic acid, (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester; Carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester; CHEMBL107832; SCHEMBL10912933; DTXSID50232238; ZINC5463816; Ethyl (5-amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)carbamate; (5-Amino-1,2-dihydro-3-(2-naphthalenyl)pyrido(3,4-b)pyrazin-7-yl)-, carbamic acid, ethyl ester; NCI60_003083; ethyl N-[5-amino-3-(2-naphthyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; N-[(5-Amino-1,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin)-7-yl]carbamic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	347217	.	.	.	.	361.4	C20H19N5O2	102	569	3.2	27	3	6	4	"InChI=1S/C20H19N5O2/c1-2-27-20(26)25-17-10-15-18(19(21)24-17)23-16(11-22-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-10,22H,2,11H2,1H3,(H3,21,24,25,26)"	CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC4=CC=CC=C4C=C3)N	JKAYWEXACKGUEA-UHFFFAOYSA-N
DG50980	"4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-"	150223	"89459-51-8; NSC683247; 4-Acridinecarboxamide, 9-amino-N-[2-(dimethylamino)ethyl]-5-methyl-; CHEMBL145586; SCHEMBL7043113; DTXSID60276421; NCI60_029801; 9-Amino-N-(2-(dimethylamino)ethyl)-5-methylacridine-4-carboxamide; 9-amino-N-(2-dimethylaminoethyl)-5-methyl-acridine-4-carboxamide; N-[2-(Dimethylamino)ethyl]-5-methyl-9-aminoacridine-4-carboxamide; 9-Amino-N-(2-(dimethylamino)ethyl)-5-methyl-4-acridinecarboxamide hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	683247	.	.	.	.	322.4	C19H22N4O	71.2	441	2.5	24	2	4	4	"InChI=1S/C19H22N4O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24)"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)N	GZQOFEOTVUDSLP-UHFFFAOYSA-N
DG50981	"3,3',4',5,6,7,8-Heptamethoxyflavone"	150893	"1178-24-1; 3,3',4',5,6,7,8-Heptamethoxyflavone; 3,5,6,7,8,3',4'-Heptamethoxyflavone; 3-Methoxynobiletin; 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one; 3-Hptmf; Hepta-3; 3,5,6,7,8,3',4'-heptemthoxyflavone; UNII-288R4CAV1V; 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-; CHEMBL77993; 288R4CAV1V; 3, 5, 6, 7, 8, 3', 4'- Heptemthoxyflavone; CCRIS 8454; NSC618928; SCHEMBL1764676; DTXSID70151912; CHEBI:176100; HY-N2038; ZINC1614080; BDBM50064900; LMPK12113345; MFCD00210513; AKOS016010685; NSC-618928; AC-34643; AS-72641; NCI60_005664; 3,5,6,7,8,3'',4''-heptamethoxyflavone; 3,5,6,7,8,3',4'-Heptamethoxy-Flavone; 5.3,5,6,7,8,3',4'-Heptamethoxyflavone; CS-0018528; FT-0775347; Y0013; Flavone, 3,3',4',5,6,7,8-heptamethoxy-; A925612; Q27254290; 2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one; 3,5,6,7,8,3 inverted exclamation mark ,4 inverted exclamation mark -HEPTEMTHOXYFLAVONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	618928	.	.	.	.	432.4	C22H24O9	90.9	651	3.2	31	0	9	8	"InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3"	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	SSXJHQZOHUYEGD-UHFFFAOYSA-N
DG50982	Exatecan	151115	"Exatecan; 171335-80-1; UNII-OC71PP0F89; DX-8951f; OC71PP0F89; C24H22FN3O4; (1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione; Exatecan [INN]; Dx 8951; DX-8951; exatecan-mesylate; (1s,9s)-1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10h,13h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione; SCHEMBL2512959; CHEMBL1614650; DTXSID60169061; CHEBI:135709; EX-A2683; ZINC3800855; 3663AH; NSC829066; AKOS005146469; BCP9000674; DB12185; NSC-829066; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-; 10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-; AC-32495; HY-13631; DB-064817; DX8951;DX 8951;DX-8951; 335E801; J-521361; Q5419343; (10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	829066	.	.	.	.	435.4	C24H22FN3O4	106	950	0.4	32	2	7	1	"InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O	ZVYVPGLRVWUPMP-FYSMJZIKSA-N
DG50983	4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate	151601	"NSC243928; 59988-01-1; Ethanesulfonamide, N-(4-(acridinyl-9-ylamino)-3-methoxyphenyl)-, methanesulfonate; NSC 243928; 4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate; Ethanesulfonanilide, 4'-(9-acridinylamino)-3'-methoxy-, methanesulfonate; CHEMBL1966038; SCHEMBL22401407; DTXSID10208691; CCG-36167; Ethanesulfonamide, monomethanesulfonate; NSC-243928; Ethanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243928	.	.	.	.	503.6	C23H25N3O6S2	151	708	.	34	3	9	6	"InChI=1S/C22H21N3O3S.CH4O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22;1-5(2,3)4/h4-14,25H,3H2,1-2H3,(H,23,24);1H3,(H,2,3,4)"	CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	HPURJIOSFDKFBF-UHFFFAOYSA-N
DG50984	"2,3-Dibromo-3-phenylpropanal"	151715	"2,3-dibromo-3-phenylpropanal; 62248-40-2; alpha,beta-Dibromobenzenepropanal; Benzenepropanal, alpha,beta-dibromo-; NSC155556; 2,3-dibromo-3-phenyl-propanal; DTXSID20977821; Hydrocinnamaldehyde,.beta.-dibromo-; 2,3-Dibromo-3-phenylpropionaldehyde; 2,3-dibromo-3-phenyl-propionaldehyde; AKOS015917402; NSC 155556; NSC-155556; FT-0659808; A833673"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155556	.	.	.	.	291.97	C9H8Br2O	17.1	144	2.8	12	0	1	3	"InChI=1S/C9H8Br2O/c10-8(6-12)9(11)7-4-2-1-3-5-7/h1-6,8-9H"	C1=CC=C(C=C1)C(C(C=O)Br)Br	DVHARADPZCQQHR-UHFFFAOYSA-N
DG50985	7-Deoxynogalarol	151719	"7-Deoxynogalarol; 62422-00-8; NSC114345; NSC-114345; DEOXYNOGALAROL,7-; U 27744; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 3,4,5,6,9,11,12,13,14,16-decahydro-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester; CHEMBL351928; DTXSID30978001; NSC 114345; 2,2-b]oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester; methyl 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114345	.	.	.	.	569.6	C29H31NO11	183	1120	1.5	41	5	12	3	"InChI=1S/C29H31NO11/c1-28(38)7-6-10-11(18(28)26(37)39-5)8-12-15(20(10)32)22(34)16-14(31)9-13-24(17(16)21(12)33)40-27-23(35)19(30(3)4)25(36)29(13,2)41-27/h8-9,18-19,23,25,27,31-32,35-36,38H,6-7H2,1-5H3"	CC1(CCC2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O	LIUWFJINGKUEER-UHFFFAOYSA-N
DG50986	"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,7-amino-4-ethyl-4-hydroxy-, (4S)-"	151793	"12-Aminocamptothecin; 58546-28-4; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,7-amino-4-ethyl-4-hydroxy-, (4S)-; 12-Amino-20(S)-camptohecin; CHEMBL76033; SCHEMBL7677097; 12-Amino-20(S)-camptothecin; DTXSID10207260; NSC603073; NSC-603073; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 7-amino-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603073	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)13-7-15-17-11(6-10-4-3-5-14(21)16(10)22-17)8-23(15)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5N)O	QPUDSTGASYNWEO-FQEVSTJZSA-N
DG50987	"1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolinyl)-, dihydrochloride"	152086	"MLS002702120; SMR001565687; NSC272346; 1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolinyl)-, dihydrochloride; 64335-06-4; cid_152086; CHEMBL1724558; BDBM95144; ZINC1561190; NCI60_002223; N,N'-bis(2-methyl-7-nitro-4-quinolyl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitro-4-quinolinyl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitro-quinolin-4-yl)heptane-1,7-diamine; N,N''-bis(2-methyl-7-nitroquinolin-4-yl)heptane-1,7-diamine; (2-methyl-7-nitro-4-quinolyl)-[7-[(2-methyl-7-nitro-4-quinolyl)amino]heptyl]amine; 7-(Hydroxy(oxido)amino)-4-((7-((7-(hydroxy(oxido)amino)-2-methyl-4-quinolinyl)amino)heptyl)amino)-2-methylquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	272346	.	.	.	.	502.6	C27H30N6O4	142	685	6.6	37	2	8	10	"InChI=1S/C27H30N6O4/c1-18-14-24(22-10-8-20(32(34)35)16-26(22)30-18)28-12-6-4-3-5-7-13-29-25-15-19(2)31-27-17-21(33(36)37)9-11-23(25)27/h8-11,14-17H,3-7,12-13H2,1-2H3,(H,28,30)(H,29,31)"	CC1=CC(=C2C=CC(=CC2=N1)[N+](=O)[O-])NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)[N+](=O)[O-]	SERWLEHIUCZSFH-UHFFFAOYSA-N
DG50988	"N-(2,4-Dinitroanilino)maleimide"	152320	"N-(2,4-Dinitroanilino)maleimide; 20970-35-8; 1-(2,4-dinitroanilino)pyrrole-2,5-dione; NSC653499; UNII-AU6NVT4C78; AU6NVT4C78; 1-[(2,4-dinitrophenyl)amino]-1H-pyrrole-2,5-dione; 1-(2,4-DINITRO-PHENYLAMINO)-PYRROLE-2,5-DIONE; N-DAM; UPCMLD00WCRH1-265; CHEMBL1990809; DTXSID80175149; ZINC4566262; STK332221; AKOS005439360; MCULE-8665969429; NSC 653499; NSC-653499; NCI60_018660; 1H-Pyrrole-2,5-dione, 1-((2,4-dinitrophenyl)amino)-; 1-(2,4-Bis(hydroxy(oxido)amino)anilino)-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	653499	.	.	.	.	278.18	C10H6N4O6	141	475	1.6	20	1	7	2	"InChI=1S/C10H6N4O6/c15-9-3-4-10(16)12(9)11-7-2-1-6(13(17)18)5-8(7)14(19)20/h1-5,11H"	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)C=CC2=O	NBLHPQHLKDLIKS-UHFFFAOYSA-N
DG50989	"N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine"	152481	"NSC273829; 75919-74-3; NSC-273829; CHEMBL1980272; N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine; 4, N(4),N(4')-1,7-heptanediylbis(2-methyl-; 4, N(4),N(4')-1,7-heptanediylbis[2-methyl-; NSC 273829; NCIMech_000409; DTXSID80226842; BDBM50515989; CCG-35558; NCI60_002231; 4, N4,N4'-1,7-heptanediylbis[2-methyl-; N,N'-Bis(2-methyl-7-amino-4-quinolinyl)-1,7-heptanediamine; 4, 7-Quinolinediamine, {N4,N4'-1,7-heptanediylbis[2-methyl-}; 4, 7-Quinolinediamine, N(4),N(4')-1,7-heptanediylbis(2-methyl-; 4, 7-Quinolinediamine, {N(4),N(4')-1,7-heptanediylbis[2-methyl-}; N~4~-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine; N4-[7-[(7-amino-2-methyl-4-quinolyl)amino]heptyl]-2-methyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	273829	.	.	.	.	442.6	C27H34N6	102	525	5.5	33	4	6	10	"InChI=1S/C27H34N6/c1-18-14-24(22-10-8-20(28)16-26(22)32-18)30-12-6-4-3-5-7-13-31-25-15-19(2)33-27-17-21(29)9-11-23(25)27/h8-11,14-17H,3-7,12-13,28-29H2,1-2H3,(H,30,32)(H,31,33)"	CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N	QZWSSKXXZSJIMA-UHFFFAOYSA-N
DG50990	"4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-, diacetate"	152483	"CHEMBL2008533; NSC270904; ZINC1560989; BDBM50515999; NCI60_002216; 4,7-Quinolinediamine, {N4,N4'-1,8-octanediylbis[2-methyl-,} diacetate; 4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-, diacetate; N4-[8-[(7-amino-2-methyl-4-quinolyl)amino]octyl]-2-methyl-quinoline-4,7-diamine; N~4~-(8-((7-Amino-2-methyl-4-quinolinyl)amino)octyl)-2-methyl-4,7-quinolinediamine acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270904	.	.	.	.	456.6	C28H36N6	102	537	6.1	34	4	6	11	"InChI=1S/C28H36N6/c1-19-15-25(23-11-9-21(29)17-27(23)33-19)31-13-7-5-3-4-6-8-14-32-26-16-20(2)34-28-18-22(30)10-12-24(26)28/h9-12,15-18H,3-8,13-14,29-30H2,1-2H3,(H,31,33)(H,32,34)"	CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N	HGSBWBMDTHBWMP-UHFFFAOYSA-N
DG50991	NSC301477	152904	"7-(4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione; 77121-90-5; NSC301477; Neuro_000152; 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-4-O-methyl-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 7-(4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301477	.	.	.	.	557.5	C28H31NO11	195	993	1.8	40	5	12	6	"InChI=1S/C28H31NO11/c1-11-27(38-3)14(29)7-18(39-11)40-16-9-28(36,17(31)10-30)8-13-20(16)26(35)22-21(24(13)33)23(32)12-5-4-6-15(37-2)19(12)25(22)34/h4-6,11,14,16,18,27,30,33,35-36H,7-10,29H2,1-3H3"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC	TUEYGBZZQFXBOS-UHFFFAOYSA-N
DG50992	Sapacitabine	153970	"Sapacitabine; 151823-14-2; CS-682; CYC682; CYC-682; CS682; CS 682; UNII-W335P73C3L; PCNDAC; CYC 682; W335P73C3L; N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide; N-(1-((2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)palmitamide; Sapacitabine [USAN:INN]; sapacitabina; sapacitabinum; Sapacitabine (CYC682); Sapacitabine (USAN/INN); N-[1-[(2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide; SCHEMBL711854; CHEMBL2105681; DTXSID90164887; CHEBI:145429; EX-A1617; NSC791785; ZINC14263648; DB06365; NSC-791785; Hexadecanamide, N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)-; HY-16445; CS-0006340; D09722; 823S142; Q7420893; 2'-C-cyano-2'-deoxy-1-arabinofuranosyl-N(4)-palmitoylcytosine; 1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one; N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	791785	.	.	.	.	490.6	C26H42N4O5	135	775	5.2	35	3	6	17	"InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N	LBGFKUUHOPIEMA-PEARBKPGSA-N
DG50993	"5-((3-(Diethylamino)propyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acridin-6-one"	154500	"5-((3-(Diethylamino)propyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acridin-6-one; 138154-44-6; CCRIS 7542; CHEMBL334101; SCHEMBL13431063; DTXSID40160511; NSC647751; NSC-647751; NCI60_016607; C-1336"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	647751	.	.	.	.	378.5	C22H26N4O2	70.4	555	4.3	28	2	5	7	"InChI=1S/C22H26N4O2/c1-4-25(5-2)12-6-11-23-17-8-9-18-21-20(17)22(28)16-13-15(27)7-10-19(16)26(21)14(3)24-18/h7-10,13,23,27H,4-6,11-12H2,1-3H3"	CCN(CC)CCCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C	QLYLRFLMYPPPSP-UHFFFAOYSA-N
DG50994	Epicorazine A	155232	"Epicorazine A; 62256-05-7; Epicorazine B; 5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone; 69176-72-3; CHEMBL2001430; SCHEMBL17971327; DTXSID10977830; NSC287069; NSC 287069; NSC-287069; 4,11-Dihydroxy-4,4a,7,7a,11,11a,14,14a-octahydro-1H,6H,8H,13H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone; 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7aalpha,11alpha,11aalpha,13abeta,14abeta))-; 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7abeta,11alpha,11aalpha,13abeta,14abeta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	287069	.	.	.	.	420.5	C18H16N2O6S2	166	861	-1.7	28	2	8	0	"InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2"	C1C2C(C(C=CC2=O)O)N3C14C(=O)N5C6C(CC5(C3=O)SS4)C(=O)C=CC6O	RCODXLGTKJXDNC-UHFFFAOYSA-N
DG50995	CID 155551	155551	"Physalin H; 70241-09-7; 14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone; NSC688074; Neuro_000435; CHEBI:169597; chloro-dihydroxy-trimethyl-[ ]tetrone; 14-Chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1~18,27~.0~1,5~.0~2,24~.0~8,17~.0~9,14~.0~21,26~]nonacos-11-ene-4,10,22,29-tetrone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688074	.	.	.	.	563	C28H31ClO10	146	1330	0.4	39	2	10	0	"InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3"	CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C	YNEPXUIPALKHAU-UHFFFAOYSA-N
DG50996	Bis(p-methoxyphenyl)selenide	155624	Bis(p-methoxyphenyl)selenide; UNII-LB23TA4U8A; LB23TA4U8A; Bis(4-methoxyphenyl) selenide; 22216-66-6; CCRIS 4541; NSC632602; Bis(p-anisyl) selenide; SCHEMBL6681950; CHEMBL1978637; DTXSID90176763; NSC-632602; NCI60_010710; 1-Methoxy-4-[(4-methoxyphenyl)selanyl]benzene #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	632602	.	.	.	.	293.23	C14H14O2Se	18.5	184	.	17	0	2	4	"InChI=1S/C14H14O2Se/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3"	COC1=CC=C(C=C1)[Se]C2=CC=C(C=C2)OC	LURBCACEKXUJEG-UHFFFAOYSA-N
DG50997	"3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol"	156398	"76397-87-0; 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol; NSC600285; CHEMBL239247; 2H-1-Benzopyran-6,7-diol,3,4-dihydro-3-(4-methoxyphenyl)-; 3-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6,7-DIOL; EINECS 278-435-2; 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol; SCHEMBL10562731; DTXSID70997771; 6,7-Dihydroxy-4-methoxyisoflavan; 6,7-Dihydroxy-4'-methoxyisoflavan; 6,7-dihydroxy-4''-methoxyisoflavan; BDBM50222276; NSC-600285; NCI60_004481; 6,7-dihydroxy-3-(4-methoxyphenyl)chroman"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600285	.	.	.	.	272.29	C16H16O4	58.9	314	2.9	20	2	4	2	"InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3"	COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O	HEMAEFVLALEJDS-UHFFFAOYSA-N
DG50998	6-Hydroxy-2-benzoxazolinone	157167	"6-Hydroxy-2-benzoxazolinone; 78213-03-3; 6-hydroxy-3H-1,3-benzoxazol-2-one; 6-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE; NSC603719; 2(3H)-Benzoxazolone, 6-hydroxy-; 6-Hydroxy-1,3-benzoxazol-2(3H)-one; 6-Hydroxybenzoxazol-2(3H)-one; 2(3H)-Benzoxazolone,6-hydroxy-; NCIMech_000107; Benzo[d]oxazole-2,6-diol; 6-Hydroxy benzoxazol-2-one; 6-hydroxy-2-benz-oxazolinone; SCHEMBL241569; CHEMBL2003971; SCHEMBL17265862; 6-hydroxy-3H-benzooxazol-2-one; 6-hydroxybenzoxazolin-2(3h)-one; DTXSID70228855; 6-Hydroxy-2-benzoxazolinone  97; ACT08318; ZINC1608403; 6-Hydroxy-2-benzoxazolinone, 97%; 5997AH; CCG-35345; MFCD07369767; STL434344; AKOS022468224; NSC-603719; BS-24460; NCI60_004604; CS-0315592; FT-0691221; 6-hydroxy-2,3-dihydro-1,3-benzoxazol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603719	.	.	.	.	151.12	C7H5NO3	58.6	183	0.8	11	2	3	0	"InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)"	C1=CC2=C(C=C1O)OC(=O)N2	XIYXDPMPFOQCFW-UHFFFAOYSA-N
DG50999	Amsalog	157348	"Amsalog; Asulacrine isethionate; 80841-48-1; UNII-649R3P169I; NSC 343499; 649R3P169I; NSC-343499; 2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide; Neuro_000177; SCHEMBL1649484; CHEMBL1983722; DTXSID60230664; NSC343499; Ethanesulfonic acid, 2-hydroxy-, compd. with 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N,5-dimethyl-4-acridinecarboxamide (1:1); NCI60_003048; Q27263737; Ethanesulfonic acid, compd. with 9-[[2-methoxy-4-[(methylsulfonyl)amino]phenyl]amino]-N,5-dimethyl-4-acridinecarboxamide (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343499	.	.	.	.	590.7	C26H30N4O8S2	201	905	.	40	5	11	8	"InChI=1S/C24H24N4O4S.C2H6O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31;3-1-2-7(4,5)6/h5-13,28H,1-4H3,(H,25,29)(H,26,27);3H,1-2H2,(H,4,5,6)"	CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O	MWXDBWAFWBSGFA-UHFFFAOYSA-N
DG51000	NSC639655	157437	"8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride; NSC639655; 80787-27-5; DTXSID901001521; NSC-639655; 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride; 8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride; DB-085782; 3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydrocholoride dihydrate; 3'-DEAMINO-3'-(4-MORPHOLINYL)-13-DIHYDROADRIAMYCIN HYDROCHLORIDE DIHYDRATE; 1610045-86-7; 3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639655	.	.	.	.	652.1	C31H38ClNO12	196	1060	.	45	7	13	6	"InChI=1S/C31H37NO12.ClH/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38;/h3-5,14,17,19-21,26,33-35,37,39-40H,6-13H2,1-2H3;1H"	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O.Cl	OYXKDQMOCVNLBP-UHFFFAOYSA-N
DG51001	Augustine	157561	"augustine; 79659-60-2; 2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine,1a,3,3a,10c-tetrahydro-2-methoxy-, (1aS,2R,3aR,4S,10bS,10cR)-; (-)-augustine; 3-Methoxy-1,2-epoxycrinan; CHEMBL462743; DTXSID401000647; NSC709251; NSC-709251; NCI60_038566; (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	709251	.	.	.	.	301.34	C17H19NO4	43.5	501	1.4	22	0	5	1	"InChI=1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1"	CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]6[C@H]1O6	QLRRUWXMMVXORS-NRKLIOEPSA-N
DG51002	"2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol"	157875	"2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol; 82563-75-5; NSC693428; 1,2,3,4-Tetrahydro-2-methyl-4,6,7-isoquinolinetriol; TMIQ; 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6,7-triol; N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline; CHEMBL1971758; CHEBI:173958; DTXSID701002785; NSC-693428; NCI60_033467; 2-Methyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol; 4,6,7-Isoquinolinetriol, 1,2,3,4-tetrahydro-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	693428	.	.	.	.	195.21	C10H13NO3	63.9	212	0	14	3	4	0	"InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3"	CN1CC(C2=CC(=C(C=C2C1)O)O)O	PIJDIPDQQMXWEM-UHFFFAOYSA-N
DG51003	Holacanthone	158475	"Holacanthone; 84062-60-2; UNII-1W45S57JD6; 1W45S57JD6; Acetyl-glaucarubulone; [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] acetate; BRN 5461864; NSC126765; 2H-1,11c-beta-(Epoxymethano)-phenanthro(10,1-bc)pyran-5,10(3H,6a-beta-H)-dione, 1,3a-beta,4,7,7a-alpha,11,11a,11b-octahydro-1-alpha,2-alpha,4-beta,11-beta-tetrahydroxy-3-alpha,18,11a-beta-trimethyl-, 4-acetate; CHEMBL458908; NSC-126765; NCI60_000614; B633407K028; Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy- (9CI); 5H-1,1-bc]pyran-5,10(6a.beta.H)-dione,1,2,3,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-decahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-, 4-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126765	.	.	.	.	436.5	C22H28O9	140	913	-0.3	31	3	9	2	"InChI=1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1"	C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C	OFHVBIQKCNMHKC-FJSLBGAUSA-N
DG51004	Tipifarnib	159324	"Tipifarnib; 192185-72-1; Zarnestra; R115777; R-115777; Tipifarnib (Zarnestra); (R)-6-(Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone; UNII-MAT637500A; IND 58359; 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one; MAT637500A; R-11577; NSC-702818; (R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one; 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one; 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE; R115777;IND 58359; JAN; Tipifarnib (USAN/INN); Tipifarnib [USAN:INN]; tipifarnibum; Tipifarneb; CCRIS 9329; (R)-( )-R115777; Tipifarnib - Zarnestra; (R)-TIPIFARNIB; D03720; SCHEMBL8097; Tipifarnib (R115777); MLS006011105; GTPL8025; DTXSID5041140; SCHEMBL21544535; Tipifarnib, >=98% (HPLC); R115777; TIPIFARNIB; 1x81; CHEBI:141969; BCPP000044; HMS3654B10; HMS3748E21; 6-[(R)-Amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl}-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone; AMY20627; BCP02262; EX-A2346; BDBM50370385; NSC760444; s1453; ZINC24809155; AKOS027326864; CCG-264893; CS-0475; DB04960; NSC-760444; SB16693; NCGC00250406-01; NCGC00250406-02; 2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-, (+)-; 2(1H)-Quinolinone,6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-; AC-33171; BS-15758; HY-10502; SMR002530065; Tipifarnib; IND 58359; R115777; SW219749-1; X1029; D70631; 185T721; Q-102509; BRD-K62965247-001-01-5; IND 58359;R115777;IND-58359;IND58359;R-115777;R 115777; (+)-(r)-6-[amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1h)-quinolinone; 2 (1H))-Quinolinone,6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-; 2(1H)-Quinolinone, 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	760444	.	.	.	.	489.4	C27H22Cl2N4O	64.2	785	4.1	34	1	3	4	"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1"	CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N	PLHJCIYEEKOWNM-HHHXNRCGSA-N
DG51005	Butyltriphenylphosphonium bromide	159628	"Butyltriphenylphosphonium bromide; 1779-51-7; N-Butyltriphenylphosphonium bromide; (1-Butyl)Triphenylphosphonium Bromide; Phosphonium, butyltriphenyl-, bromide; Phosphonium, butyltriphenyl-, bromide (1:1); butyl(triphenyl)phosphanium;bromide; C22H24BrP; (n-Butyl)triphenylphosphonium bromide; MFCD00011855; butyl(triphenyl)phosphonium bromide; n-Butyltriphenylphosphonium chloride; EINECS 217-219-4; NSC 59684; butyl triphenyl phosphine bromide; SCHEMBL1063; CHEMBL4792223; butyl triphenylphosphonium bromide; butyl(triphenyl)phosphonium iodide; DTXSID90883581; butyl(triphenyl)phosphanium,bromide; butyl-triphenyl phosphonium bromide; triphenyl butyl phosphonium bromide; ACN-S002169; AMY39371; BCP22515; n-butyl-triphenylphosphonium bromide; NSC59684; (1-Butyl)triphenylphosphoniumbromide; n-butyl triphenyl-phosphonium bromide; NSC-59684; AKOS015963276; Butyltriphenylphosphonium bromide, 99%; CS-W009726; GC10168; MCULE-7982220303; AS-12138; BC005143; DB-005492; B0970; FT-0623340; J-011337; J-519973; Q-200774; (1-BUTYL)TRIPHENYLPHOSPHONIUM BROMIDE;BUTYL TRIPHENYL PHOSPHINE BROMIDE;BUTYL TRIPHENYL PHOSPHOROUS BROMIDE;BUTYLTRIPHENYLPHOSPHONIUM BROMIDE;N-BUTYLTRIPHENYLPHOSPHONIUM BROMIDE;TBP"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59684	.	.	.	.	399.3	C22H24BrP	0	273	.	24	0	1	6	"InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1"	CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	IKWKJIWDLVYZIY-UHFFFAOYSA-M
DG51006	"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone"	159854	"MeDZQ; 18735-47-2; 2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone; 2,6-diaziridinyl-1,4-benzoquinone; Methyldiaziridinequinone; 2,5-bis(aziridin-1-yl)-3,6-dimethylcyclohexa-2,5-diene-1,4-dione; Neuro_000349; CHEMBL311910; SCHEMBL1614158; DTXSID10172045; ZINC1630154; NSC646714; NSC-646714; NCI60_016124; 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3,6-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646714	.	.	.	.	218.25	C12H14N2O2	40.2	421	0.8	16	0	4	2	"InChI=1S/C12H14N2O2/c1-7-9(13-3-4-13)12(16)8(2)10(11(7)15)14-5-6-14/h3-6H2,1-2H3"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C)N3CC3	IWVCOLOPRNYONP-UHFFFAOYSA-N
DG51007	Acrovestone	159969	"Acrovestone; CHEBI:2440; 24177-16-0; CHEMBL488313; NSC612789; 1-(3-{1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one; 1-[3-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one; Ethanone, 1-(3-(1-(3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl)-3-methylbutyl)-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl)-; SCHEMBL1230905; DTXSID80946997; BDBM50267248; NSC-612789; NCI60_004870; C09916; Q27105669"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	612789	.	.	.	.	554.7	C32H42O8	145	918	8	40	5	8	11	"InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3"	CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)O)C2=C(C(=C(C(=C2O)CC=C(C)C)OC)C(=O)C)O	KLFWXYAHGSXKAW-UHFFFAOYSA-N
DG51008	Miltirone	160142	"Miltirone; 27210-57-7; Rosmariquinone; Miltiron; 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione; CHEMBL45830; CHEBI:34851; NSC639662; Miltirone; NSC 639662; Rosmariquinone; 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione; Miltrione; 2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione; 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; SCHEMBL13568178; DTXSID20181683; HY-N1951; ZINC1537184; 5,6,7,8-tetrahydro-8,8-dimethyl-2-isopropyl-3,4-phenanthrenedione; BDBM50009219; MFCD00238644; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione; AKOS015909796; NSC-639662; AC-34173; NCI60_013161; CS-0018262; FT-0628947; Y0137; 20-Nor-5,7,9,13-abietatetraene-11,12-dione; Q27116297; 2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione; 5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone; 3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-; 5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI; 8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione; miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	639662	.	.	.	.	282.4	C19H22O2	34.1	498	4.9	21	0	2	1	"InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3"	CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O	FEFAIBOZOKSLJR-UHFFFAOYSA-N
DG51009	Oxidopamine hydrochloride	160157	"Oxidopamine hydrochloride; 28094-15-7; 6-Hydroxydopamine hydrochloride; 5-(2-aminoethyl)benzene-1,2,4-triol hydrochloride; 6-Hydroxydopamine chloride; Oxidopamine (hydrochloride); UNII-9WBV30HXTL; 2,4,5-Trihydroxyphenethylamine hydrochloride; 9WBV30HXTL; 6-HYDROXYDOPAMINE HCL; 5-(2-aminoethyl)benzene-1,2,4-triol;hydrochloride; 6-Hydroxydopamine hydrochloride;6-OHDA hydrochloride; MFCD00012895; NCGC00094747-01; DSSTox_CID_25838; DSSTox_RID_81164; DSSTox_GSID_45838; Oxidopamine HCl; CAS-28094-15-7; EINECS 248-837-2; NSC 233898; 5-(2-Aminoethyl)-1,2,4-benzenetriol hydrochloride; 5-(2-Aminoethyl)-4-hydroxypyrocatechol hydrochloride; 1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrochloride; 3,4,5-Trihydroxyphenethylamine hydrochloride; 6-Hydroxy Dopamine Hydrochloride; 2,5-Dihydroxytyramine hydrochloride; 4-(2-Aminoethyl)-1,2,3-benzenetriol hydrochloride; 6-HYDROXYDOPAMINEHYDROCHLORIDE; 1,2,3-Benzenetriol, 4-(2-aminoethyl)-, hydrochloride; 6-OHDA hydrochloride; 6-HD HCl; MLS002207273; SCHEMBL718426; SPECTRUM1500450; 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrochloride; CHEMBL451197; DTXSID0045838; WLN: Z2R CQ DQ EQ &GH; HMS1920D14; Pharmakon1600-01500450; BCP18603; HY-B1081; Tox21_111324; CCG-40236; NSC233898; NSC757259; AKOS015894730; Tox21_111324_1; CS-4648; MCULE-6193725661; NSC-233898; NSC-757259; NCGC00094747-02; NCGC00167769-04; 3,5-Trihydroxyphenethylamine hydrochloride; AS-60772; SMR001306794; DB-047336; FT-0638757; D87854; 4-(2-Aminoethyl)-1,3-benzenetriol hydrochloride; A876787; 2-(2,4,5-trihydroxyphenyl)ethan-1-aminium chloride; 6-OHDA hydrochloride6-Hydroxydopamine hydrochloride; J-016968; 1,3-Benzenetriol, 4-(2-aminoethyl)-, hydrochloride; 1,4-Benzenetriol, 5-(2-aminoethyl)-, hydrochloride; 6-Hydroxydopamine Hydrochloride; 6-OHDA hydrochloride; Q27273318; 6-Hydroxydopamine hydrochloride, >=97% (titration), powder; 1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	233898	.	.	.	.	205.64	C8H12ClNO3	86.7	142	.	13	5	4	2	"InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H"	C1=C(C(=CC(=C1O)O)O)CCN.Cl	QLMRJHFAGVFUAC-UHFFFAOYSA-N
DG51010	Dihydrotriazine derivative	160202	"Dihydrotriazine derivative; NSC 127755; 31368-48-6; NSC127755; NSC-127755; Ethanesulfonic acid, compd. with 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1); 3-chloro-4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid; CHEMBL1995362; DTXSID50185295; 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)butyl)benzenesulfonyl fluoride cpd with ethanesulfonic acid; Benzenesulfonyl fluoride, 3-chloro-4-(4-(2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)butyl)-, monoethanesulfonate (9CI); Ethanesulfonic acid compound with 3-chloro-4-(4-(2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl)butyl)benzenesulfonyl fluoride (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]butyl]benzenesulfonyl fluoride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127755	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)15-9-7-13(17(22)11-15)5-3-4-6-14-8-10-16(12-18(14)23)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	JNVLQWBZTYBYKN-UHFFFAOYSA-N
DG51012	O-Desmethylbouvardin	160296	"O-Desmethylbouvardin; Desmethylbouvardin; 88360-88-7; Bouvardin, 3-(N-methyl-L-tyrosine)-; O-Demethylbouvardin; NSC324579; NSC 324579; BOUVARDIN, O-DESMETHYL; CHEMBL1975273; DTXSID301008074; NSC-324579; 2,5,11,17,24-Pentahydroxy-10-[(4-hydroxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene-8,1; 22-Oxa-3,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123, 27]tritriacontane, cyclic peptide deriv"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324579	.	.	.	.	758.8	C39H46N6O10	218	1420	1.6	55	6	10	2	"InChI=1S/C39H46N6O10/c1-20-34(49)41-21(2)37(52)43(4)28(17-23-7-12-26(46)13-8-23)36(51)42-22(3)38(53)45(6)32-33(48)25-10-14-27(15-11-25)55-31-19-24(9-16-30(31)47)18-29(35(50)40-20)44(5)39(32)54/h7-16,19-22,28-29,32-33,46-48H,17-18H2,1-6H3,(H,40,50)(H,41,49)(H,42,51)"	CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)O)C)C	YOCWDXULSGQNRW-UHFFFAOYSA-N
DG51014	"2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one"	160386	"MLS002701566; 153824-55-6; NSC650573; NSC-650573; 2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one; 2-methyl-4-phenyliminobenzo[f][1,3]benzoxazol-9-one; SMR001565167; NCIMech_000558; CHEMBL159365; cid_160386; CHEMBL1699398; CHEMBL1967802; BDBM81237; (Z)-2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9(4H)-one; CCG-35975; ZINC18031638; ZINC100042424; Naphth[2, 2-methyl-4-(phenylimino)-; NCI60_017571; 2-methyl-4-phenylimino-9-benzo[f][1,3]benzoxazolone; 2-methyl-4-phenylimino-benzo[f][1,3]benzoxazol-9-one; 2-Methyl-4-[(Z)-phenylimino]naphth[2,3-d]oxazol-9-one; Naphth(2,3-d)oxazol-9(4H)-one, 2-methyl-4-(phenylimino)-, (Z)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650573	.	.	.	.	288.3	C18H12N2O2	55.5	470	4.2	22	0	4	1	"InChI=1S/C18H12N2O2/c1-11-19-16-15(20-12-7-3-2-4-8-12)13-9-5-6-10-14(13)17(21)18(16)22-11/h2-10H,1H3"	CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=C4	UPEHKUQHXSSQQA-UHFFFAOYSA-N
DG51015	"N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine"	160394	"N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine; 154264-46-7; NSC658396; N(1)-Aziridinylspermidine; N'-[3-(aziridin-1-yl)propyl]butane-1,4-diamine; CHEMBL539471; SCHEMBL5672546; DTXSID70934964; NSC-658396; NCI60_020508; N-(3-Aziridinylpropyl)-1,4-diaminobutane; 1,4-Butanediamine, N-(3-(1-aziridinyl)propyl)-; N~1~-[3-(Aziridin-1-yl)propyl]butane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658396	.	.	.	.	171.28	C9H21N3	41.1	102	-0.3	12	2	3	8	"InChI=1S/C9H21N3/c10-4-1-2-5-11-6-3-7-12-8-9-12/h11H,1-10H2"	C1CN1CCCNCCCCN	CNOIPHKAPXDRCC-UHFFFAOYSA-N
DG51016	"N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine"	160395	"N(8)-Aziridinylspermidine; N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine; NSC658397; 154264-47-8; N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine; N-(4-Aziridinylbutyl)-1,3-diaminopropane; N8-aziridinyl-spermidine; CHEMBL539472; SCHEMBL8875699; DTXSID30165575; NSC-658397; NCI60_020509; 1,3-Propanediamine, N-(4-(1-aziridinyl)butyl)-; N~1~-(4-(1-Aziridinyl)butyl)-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	658397	.	.	.	.	171.28	C9H21N3	41.1	102	-0.3	12	2	3	8	"InChI=1S/C9H21N3/c10-4-3-6-11-5-1-2-7-12-8-9-12/h11H,1-10H2"	C1CN1CCCCNCCCN	JVMUEYFSUCQOKO-UHFFFAOYSA-N
DG51017	Xanthinin	160533	"Xanthinin; Xanthumin; Ksantinin; 153483-31-9; 580-49-4; NSC136705; [1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate; 6-(1-(Acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one; 1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate; CHEMBL1982362; AKOS015909568; NSC-136705; NCI60_000833; W2167; [1-(7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxo-butyl] acetate; 1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate #; 2H-Cyclohepta[b]furan-2-one, 6-[(1R)-1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-, (3aR,7S,8aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136705	.	.	.	.	306.4	C17H22O5	69.7	545	1.4	22	0	5	5	"InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3"	CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2	DPSCQKGSAHTWSP-UHFFFAOYSA-N
DG51018	Dansylethylenediamine	161851	"Dansylethylenediamine; 35060-08-3; N-(2-aminoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide; N-Dansylethylenediamine; N-Dansyl-ethylenediamine; NSC666752; MFCD00467523; Monodansylethylenediamine; Dns-eeda; (2-Aminoethyl)dansylamide; dansylamine; (2-aminoethyl)-dansylamide; SCHEMBL1293231; CHEMBL1766567; DTXSID70188566; SJL 620; N-(2-Aminoethyl)-5-(dimethylamino)-1-naphthalenesulfonamide; SCP-29178 2b; ZINC1642348; AKOS015915994; NSC-666752; NCI60_023306; DB-081122; CS-0362066; FT-0620361; N-Dansylethylenediamine, suitable for fluorescence; J-019848; N-(2-Aminoethyl)-5-dimethylamino-1-naphthalenesulfonamide; 1-Naphthalenesulfonamide, N-(2-aminoethyl)-5-(dimethylamino)-; 5-dimethylamino-naphthalene-1-sulfonic acid (2-amino-ethyl)-amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666752	.	.	.	.	293.39	C14H19N3O2S	83.8	405	1.5	20	2	5	5	"InChI=1S/C14H19N3O2S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)20(18,19)16-10-9-15/h3-8,16H,9-10,15H2,1-2H3"	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN	CSJXLKVNKAXFSI-UHFFFAOYSA-N
DG51019	"[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride"	161868	"DTXSID60956751; 35318-40-2; WR-122455; CHEMBL1991777; NSC140364; NSC-140364; [3,6-Bis(trifluoromethyl)phenanthren-9-yl](piperidin-2-yl)methanol--hydrogen chloride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140364	.	.	.	.	463.8	C22H20ClF6NO	32.299	593	.	31	3	8	2	"InChI=1S/C22H19F6NO.ClH/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13;/h4-7,9-11,19-20,29-30H,1-3,8H2;1H"	C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)O.Cl	HKAMJBJQZVUJFZ-UHFFFAOYSA-N
DG51020	Dihydroguaiaretic acid	161924	"Dihydroguaiaretic acid; 4,4'-(2,3-dimethylbutane-1,4-diyl)bis(2-methoxyphenol); 36469-60-0; 4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol; 66322-34-7; CCRIS 7923; Dihydroguayaretic acid; Guaiacol, 4,4'-(2,3-dimethyltetramethylene)di-, meso-; 4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol); SCHEMBL9087980; CHEMBL1976696; ACon1_001505; DTXSID30957790; 4-butanediylDihydroguaiaretic acid; Phenol, 4,4'-[(2R,3S)-2,3-dimethyl-1,4-butanediyl]bis[2-methoxy-, rel-; HMS3342F18; BDBM50030892; NSC705084; AKOS032948494; NSC-705084; NCGC00180436-01; NCI60_037533; FT-0696052; ( inverted exclamation markA)-Dihydroguaiaretic Acid; BRD-A19129781-001-01-6; Phenol,4'-(2,3-dimethyl-1,4-butanediyl)bis[2-methoxy-; 4-[4-(4-hydroxy-3-methoxy-phenyl)-2,3-dimethyl-butyl]-2-methoxy-phenol; 2,3-Dimethyl-1-(3'-methoxy-4'-hydroxyphenyl)-4-(3''-methoxy-4''hydroxyphenyl)butane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	705084	.	.	.	.	330.4	C20H26O4	58.9	328	5	24	2	4	7	"InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3"	CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC	ADFOLUXMYYCTRR-UHFFFAOYSA-N
DG51021	Jolkinolide B	161954	"Jolkinolide B; 37905-08-1; CHEBI:69827; (1S,3R,8R,10R,11R,12R,17R)-5,12,16,16-tetramethyl-2,7,9-trioxahexacyclo[9.8.0.01,3.04,8.08,10.012,17]nonadec-4-en-6-one; CHEMBL404387; DTXSID70958923; HY-N0732; ZINC5766692; NSC700087; AKOS032946071; NSC-700087; NCI60_035896; CS-0009745; N2756; Q27138168; 4,4,8,11b-tetramethyl-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro- 1H,9H-6a:7,10a:11-diepoxyphenanthro[3,2-b]furan-9-one; 4,4,8,11c-Tetramethyl-1,2,3,4,4a,5,6,11a,11b,11c-decahydrobisoxireno[3,4:1,10a]phenanthro[3,2-b]furan-9(7aH)-one; Bisoxireno(1,10a:3,4)phenanthro(3,2-b)furan-9(7aH)-one, 1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethyl-, (4aR-(4aalpha,6aS*,7abeta,10aR*,11abeta,11balpha,11cbeta))-; Bisoxireno[1,4]phenanthro[3,2-b]furan-9(7aH)-one, 1,2, 3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethyl-, [4aR-(4a.alpha.,6aS*,7a.beta.,10aR*,11a.beta.,11b.alpha.,11c.beta,)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700087	.	.	.	.	330.4	C20H26O4	51.4	723	3.2	24	0	4	0	"InChI=1S/C20H26O4/c1-10-12-14-19(22-14)9-6-11-17(2,3)7-5-8-18(11,4)13(19)15-20(12,23-15)24-16(10)21/h11,13-15H,5-9H2,1-4H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1"	CC1=C2[C@@H]3[C@]4(O3)CC[C@H]5[C@]([C@@H]4[C@@H]6[C@]2(O6)OC1=O)(CCCC5(C)C)C	SOVOCMGDFRGRKF-MCDHERAVSA-N
DG51022	Pannarin	162780	"Pannarin; Pannarine; NSC646008; 55609-84-2; NSC-646008; CHEMBL285415; 2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde; DTXSID50204157; CHEBI:144185; BDBM50056915; NCI60_015821; 11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-; 8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646008	.	.	.	.	362.8	C18H15ClO6	82.1	528	4.3	25	1	6	2	"InChI=1S/C18H15ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5-6,21H,1-4H3"	CC1=CC(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)C=O)C)OC	LVGKNESDSKGROR-UHFFFAOYSA-N
DG51023	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-"	163121	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-; 66474-53-1; 2-(2,4-dinitrophenyl)sulfanylpyrimidine; MLS000757063; 2,4-Dinitropyrimidinyl-2-thiophenol; 2-(2,4-Dinitrophenylthio)pyrimidine; 2-[(2,4-dinitrophenyl)thio]pyrimidine; SMR000449836; 2-((2,4-Dinitrophenyl)thio)pyrimidine; Jcc 216; cid_163121; CHEMBL1594896; BDBM72687; DTXSID30216692; HMS2812A16; ZINC1567155; AC8272; MFCD01250427; NSC302584; AKOS024369891; MCULE-9268140753; NSC 302584; NSC-302584; NCGC00246960-01; SY252870; DS-012375; CS-0086960"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302584	.	.	.	.	278.25	C10H6N4O4S	143	339	2.3	19	0	7	2	InChI=1S/C10H6N4O4S/c15-13(16)7-2-3-9(8(6-7)14(17)18)19-10-11-4-1-5-12-10/h1-6H	C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	UDWLPPBHVNQRBL-UHFFFAOYSA-N
DG51024	Sesbanimide	163490	"Sesbanimide; Sesbanimide A; 85719-78-4; SESBANIMIDE B; 4-[5-hydroxy-6-(2-hydroxy-3-methyl-4-methylideneoxolan-2-yl)-1,3-dioxan-4-yl]piperidine-2,6-dione; CHEMBL1965002; NSC355461; NSC370346; NSC-355461; NSC-370346; 92282-10-5; NCI60_003205; B621099K443; 2, 4-[5-hydroxy-6-(tetrahydro-2-hydroxy-3-methyl-4-methylene -2-furanyl)-1,3-dioxan-4-yl]-; alpha-D-glycero-D-threo-4-Heptulo-4,7-furanose, 5,6-dideoxy-1-C'-(2,6-dioxo-4-piperidinyl)-5-methyl-6-methylene-1,3-O-methylene-, (1S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355461	.	.	.	.	327.33	C15H21NO7	114	520	-1.9	23	3	7	2	"InChI=1S/C15H21NO7/c1-7-5-23-15(20,8(7)2)14-12(19)13(21-6-22-14)9-3-10(17)16-11(18)4-9/h8-9,12-14,19-20H,1,3-6H2,2H3,(H,16,17,18)"	CC1C(=C)COC1(C2C(C(OCO2)C3CC(=O)NC(=O)C3)O)O	ULQATHQJWVNXEJ-UHFFFAOYSA-N
DG51025	"N,N',N''-Tris(4-phenylbutyl)benzene-1,3,5-trimethanamine"	163878	"RE 1492; N,N',N''-Tris(4-phenylbutyl)benzene-1,3,5-trimethanamine; 112169-14-9; RE-1492; N,N',N''-(benzene-1,3,5-triyltris(methylene))tris(4-phenylbutan-1-amine); CHEMBL1970699; DTXSID10149934; NSC704565; N-[[3,5-bis[(4-phenylbutylamino)methyl]phenyl]methyl]-4-phenylbutan-1-amine; NSC-704565; NCI60_037316; 1,3,5-Benzenetrimethanamine, N,N',N''-tris(4-phenylbutyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	704565	.	.	.	.	561.8	C39H51N3	36.1	522	8	42	3	3	21	"InChI=1S/C39H51N3/c1-4-16-34(17-5-1)22-10-13-25-40-31-37-28-38(32-41-26-14-11-23-35-18-6-2-7-19-35)30-39(29-37)33-42-27-15-12-24-36-20-8-3-9-21-36/h1-9,16-21,28-30,40-42H,10-15,22-27,31-33H2"	C1=CC=C(C=C1)CCCCNCC2=CC(=CC(=C2)CNCCCCC3=CC=CC=C3)CNCCCCC4=CC=CC=C4	RPSXXPUMOFOJAV-UHFFFAOYSA-N
DG51026	Mycoticin a	164141	"Mycoticin a; Antibiotic 464; 29919-25-3; 38328-44-8; NSC324065; DTXSID00952373; NCI60_002813; 14,16,18,20,22,24,26,28-Octahydroxy-15,31-dimethyl-32-(propan-2-yl)-1-oxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one; 14,16,18,20,22,24,26,28-octahydroxy-32-isopropyl-15,31-dimethyloxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324065	.	.	.	.	650.8	C36H58O10	188	1020	4.4	46	8	10	1	"InChI=1S/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3"	CC1C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O	GBVIQYQFMPWELT-UHFFFAOYSA-N
DG51027	Isoindigotin	164610	"Isoindigotin; Isoindigo; 476-34-6; UNII-6UE33XXJ1Y; 6UE33XXJ1Y; CHEMBL515155; (E)-[3,3'-Biindolinylidene]-2,2'-dione; 180479-95-2; trans-Isoindigo; 3-(2-hydroxy-1H-indol-3-yl)indol-2-one; Oprea1_712169; SCHEMBL9899736; SCHEMBL9899740; (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one; SCHEMBL12386233; AOB6808; BCP32739; BDBM50342561; MFCD00423577; NSC717810; ZINC32915988; ZINC34172946; 2H-Indol-2-one, 3-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,3-dihydro-; AKOS001588195; AKOS032947324; MCULE-3283754750; NSC-717810; (2-oxoindolin-3-ylidene)indolin-2-one; [3,3'-Biindolinylidene]-2,2'-dione; AS-82948; NCI60_040614; (E)-[3,3''-biindolinylidene]-2,2''-dione; (3E)-3-(2-oxoindolin-3-ylidene)indolin-2-one; SR-01000390554; Isoindigo;(E)-[3,3'-biindolinylidene]-2,2'-dione; SR-01000390554-1; Q27265545; 3-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2,3-dihydro-1H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	717810	.	.	.	.	262.26	C16H10N2O2	65.4	585	2.6	20	2	2	1	"InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8,17,19H"	C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O	VBMISAYWIMDRCV-UHFFFAOYSA-N
DG51029	Podophyllotoxin acetate	164791	"Podophyllotoxin acetate; Acetylpodophyllotoxin; Podophyllin Acetate; 1180-34-3; Acetyl podophyllotoxin; Podophyllotoxin, acetate; NSC 36408; Spectrum_001858; Spectrum2_001681; Spectrum3_001672; Spectrum4_001662; Spectrum5_000563; BSPBio_003483; KBioGR_002183; KBioSS_002375; SCHEMBL985502; SPECTRUM1504412; SPBio_001602; CHEMBL1409147; Podophyllotoxin, acetate (8CI); KBio2_002371; KBio2_004939; KBio2_007507; KBio3_002703; DTXSID90151999; NSC36408; ZINC4164766; CCG-38772; NSC-36408; SDCCGMLS-0066778.P001; NCGC00161925-01; NCGC00161925-02; BRD-K62577500-001-03-6; Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 9-(acetyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R-(5alpha,5abeta,8aalpha,9alpha))- (9CI); Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(acetyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36408	.	.	.	.	456.4	C24H24O9	98.8	729	2.6	33	0	9	6	"InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20+,21-,22-/m0/s1"	CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC	SASVNKPCTLROPQ-NZYDNVMFSA-N
DG51030	"7,2',4',5'-Tetramethoxyisoflavone"	165203	"7,2',4',5'-tetramethoxyisoflavone; 4253-02-5; NSC646923; CHEMBL478578; SCHEMBL4832045; DTXSID90195318; 7,2',4',5'-Tetramethoxyisoflavon; LMPK12050091; 2',4',5',7-Tetramethoxyisoflavone; NSC-646923; 7,2',4',5'-Tetramethoxyl-isoflavone; NCI60_016218; 7-Methoxy-3-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one #; 4H-1-Benzopyran-4-one, 7-methoxy-3-(2,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	646923	.	.	.	.	342.3	C19H18O6	63.2	504	3.1	25	0	6	5	"InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3"	COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC	LMCHYXAZXISBOS-UHFFFAOYSA-N
DG51031	"2,3,4,4'-Tetramethoxy-1,1'-biphenyl"	165441	"2,3,4,4'-Tetramethoxy-1,1'-biphenyl; 6271-59-6; 1,2,3-trimethoxy-4-(4-methoxyphenyl)benzene; CHEMBL28250; MLS002608000; 2,3,4,4'-tetramethoxybiphenyl; 2,3,4,4'-Tmbp; NSC36768; DTXSID00211795; 2,3,4,4'-Tetramethoxy-biphenyl; HMS3085A15; 2,3,4,4''-Tetramethoxy-biphenyl; ZINC1669540; BDBM50099947; NSC 36768; NSC-36768; 1,1-Biphenyl,2,3,4,4-tetramethoxy-; SMR001526756; DS-008147; 1,1'-Biphenyl, 2,3,4,4'-tetramethoxy-; 2,3,4,4'-Tetramethoxy-1,1'-biphenyl #; 1,1'-Biphenyl, 4,4',5',6'-tetramethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36768	.	.	.	.	274.31	C16H18O4	36.9	276	3.4	20	0	4	5	"InChI=1S/C16H18O4/c1-17-12-7-5-11(6-8-12)13-9-10-14(18-2)16(20-4)15(13)19-3/h5-10H,1-4H3"	COC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC	TZYDMNYEWNWIMB-UHFFFAOYSA-N
DG51032	"2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate"	167688	"17994-15-9; 2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate; 16,17,18,19-tetrahydro-3H-yohimban-13-ium;nitrate; 1H-Benz[g]indolo[2,3-a]quinolizin-6-ium, 2,3,4,13-tetrahydro-, nitrate (1:1); NSC407299; Sempervirine nitrate dihydrate; EINECS 241-909-4; NSC 127571; NSC 407299; CHEMBL3391842"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407299	.	.	.	.	335.4	C19H17N3O3	82.8	414	.	25	1	3	0	"InChI=1S/C19H16N2.NO3/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;2-1(3)4/h3-4,7-12H,1-2,5-6H2;/q;-1/p+1"	C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)([O-])[O-]	NPMOCMWCFIQGMK-UHFFFAOYSA-O
DG51033	"6-Naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	173733	"60368-04-9; 6-naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine; WR 180872; WR 180,872; CHEMBL1989939; NSC305802; NSC 305802; NSC-305802; NCI60_002596; DS-009141; WR-180872; WR-180,872; 2, 5,6,7,8-tetrahydro-6-(2-naphthalenylsulfonyl)-; 2,4-Diamino-6-(2-naphthyl-sulfonyl)-5,6,7,8-tetrahydroquinazoline; 6-(Naphthalen-2-ylsulfonyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305802	.	.	.	.	354.4	C18H18N4O2S	120	578	2.4	25	2	6	2	"InChI=1S/C18H18N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H4,19,20,21,22)"	C1CC2=C(CC1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=NC(=N2)N)N	RVGOYYJACXCEJO-UHFFFAOYSA-N
DG51034	Albacarcin M	174343	"Albacarcin M; Chrysomycin B; MLS002702887; 83852-56-6; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one; NSC354843; SMR001566705; 92934-54-8; VIRENOMYCIN M; Neuro_000192; Albacarcin M; Chrysomycin B; cid_174343; CHEMBL1736358; DTXSID90918862; BDBM114644; BS-1212; MCULE-8510079190; NSC-354843; NCI60_003192; 1,5-Anhydro-6-deoxy-1-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-3-C-methylhexitol; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-2-oxanyl)-6-naphtho[1,2-c][2]benzopyranone; 1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)naphth[1,2-c]isochromen-6-one; 4-[4,6-dimethyl-3,4,5-tris(oxidanyl)oxan-2-yl]-10,12-dimethoxy-8-methyl-1-oxidanyl-naphtho[1,2-c]isochromen-6-one; 6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-3-C-methyl-beta-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-; 6H-Benzo[d]naphtho[1, 4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl-; NCGC00380588-01!1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)naphtho[1,2-c]isochromen-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354843	.	.	.	.	496.5	C27H28O9	135	823	2.5	36	4	9	3	"InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3"	CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)(C)O)O	BJPYMDSMDBCKEP-UHFFFAOYSA-N
DG51035	3'-Deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin	174734	"Cyanomorpholinoadriamycin; 3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin; 3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin; 89196-08-7; Mra-CN; 4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile; 88254-07-3; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN; NSC357704; MRA CN; 3'-3CN-4morphAdriamycin; SCHEMBL3342594; CHEBI:41576; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside; alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl-12-imino-13-dihydroadriamycin; (8S-cis)-10-((3-((S)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 10-((3-((S)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (8S-cis)-; 5,12-Naphthacenedione, 10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; 3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin; Q27120430; 4-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]morpholine-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357704	.	.	.	.	638.6	C32H34N2O12	216	1240	2	46	5	14	6	"InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15 ,18-,20-,22-,27+,32-/m0/s1"	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O	YIMDLWDNDGKDTJ-QLKYHASDSA-N
DG51036	"3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate"	175110	"72670-62-3; 3,5-Dibromo-2-chlorosalicylanilide-4'-isothiocyanate; Compound 77-6; Cdri 77-6; NSC293061; Cdri-77-6; 3,5-Dibromo-2-chloro-4-isothiocyanatosalicylanilide; CHEMBL1998767; DTXSID20222984; ZINC1566138; NSC 293061; NSC-293061; 3,5-dibromo-2'-chloro-4'-isothiocyanatosalicylanilide; Benzamide, 3,5-dibromo-N-(2-chloro-4-isothiocyanatophenyl)-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293061	.	.	.	.	462.5	C14H7Br2ClN2O2S	93.8	464	6.4	22	2	4	3	"InChI=1S/C14H7Br2ClN2O2S/c15-7-3-9(13(20)10(16)4-7)14(21)19-12-2-1-8(18-6-22)5-11(12)17/h1-5,20H,(H,19,21)"	C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Br)Br)O	HIJLHRKFBDDOIL-UHFFFAOYSA-N
DG51038	"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione"	176718	"98298-55-6; 1,4-bis(oxiran-2-ylmethoxy)anthracene-9,10-dione; NSC673350; CHEMBL107087; SCHEMBL10417431; DTXSID40913342; NSC-673350; NCI60_025984; 1,4-Bis(oxiranylmethoxy)anthracene-9,10-dione; 1,4-Bis[(oxiran-2-yl)methoxy]anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	673350	.	.	.	.	352.3	C20H16O6	77.7	527	2.2	26	0	6	6	"InChI=1S/C20H16O6/c21-19-13-3-1-2-4-14(13)20(22)18-16(26-10-12-8-24-12)6-5-15(17(18)19)25-9-11-7-23-11/h1-6,11-12H,7-10H2"	C1C(O1)COC2=C3C(=C(C=C2)OCC4CO4)C(=O)C5=CC=CC=C5C3=O	TVXSGQKVOUXJCZ-UHFFFAOYSA-N
DG51039	Cilengitide	176873	"Cilengitide; 188968-51-6; EMD 121974; EMD-121974; UNII-4EDF46E4GI; 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; EMD121974; Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-phenylalanyl-N-methyl-L-valyl); EMD-12192; 4EDF46E4GI; CHEMBL429876; 2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid; cyclo(L-arginylglycyl-L-a-aspartyl-D-phenylalanyl-N-methyl-L-valyl); Cilengitide [USAN:INN]; EMD-85189; cyclo-(Arg-Gly-Asp-DPhe-NMeVal); NSC-707544; C27H40N8O7; c(RGDfMeV); cyclic-Arg-Gly-Asp-D-Phe(N-methyl)Val; Cyclo(L-arginylglycyl-L-aspartyl-D-phenylalanyl-N-methyl-L-valyl); Cilengitide (USAN/INN); cyclo(arginyl-glycyl-formylaspartyl-N-methylvalyl); SCHEMBL34082; GTPL6597; DTXSID9044035; CHEBI:177833; EX-A1775; ZINC3952216; Cilengitide trifluoroacetic acid salt; 2322AH; BDBM50235980; NSC774651; s6387; AKOS024257893; CS-1211; cyclo(Arg-Gly-Asp-D-Phe-[N-Me]Val); DB11890; NSC-774651; NCGC00386242-02; NCGC00386242-04; AS-72195; HY-16141; SW220134-1; D03497; 968C516; A924615; Q1091921; [(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid; 2-[(2S,5R,8S,11S)-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	774651	.	.	.	.	588.7	C27H40N8O7	238	1020	-1	42	7	8	9	"InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1"	CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N	AMLYAMJWYAIXIA-VWNVYAMZSA-N
DG51040	Agelastatin A	177936	"Agelastatin A; (-)-Agelastatin A; 152406-28-5; Agelastatine A; (1R,9S,10S,14S)-3-bromo-14-hydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione; SCHEMBL4745999; CHEMBL1096256; DTXSID60934493; NSC786147; NSC-786147; 1-Bromo-7,8a-dihydroxy-8-methyl-5a,5b,8,8a,9,9a-hexahydroimidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazin-4(5H)-one; 7MB; Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-8-methyl-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	786147	.	.	.	.	341.16	C12H13BrN4O3	86.6	503	-0.3	20	3	3	0	"InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1"	CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O	MPASKXAEPUAMBS-WJOUQXRDSA-N
DG51041	Cryptolepinone	178034	"Cryptolepinone; Hydroxycryptolepine; NSC669520; UNII-RLM5790QIR; RLM5790QIR; 178884-07-6; 5-Methyl-5H-quindolin-11-ol; 5H-Quindolin-11-ol, 5-methyl-; 11-Hydroxy-5-methyl-5H-quindoline; 5-methyl-10H-indolo[3,2-b]quinolin-11-one; 160113-29-1; CHEMBL504189; SCHEMBL9394723; RSDQEJTWGFZASQ-UHFFFAOYSA-; NSC 669520; NSC-669520; NCI60_024256; 5,10-Dihydro-5-methyl-11H-quindolin-11-one; 11H-Quindolin-11-one, 5,10-dihydro-5-methyl-; 5-Methyl-5,10-dihydro-11H-indolo[3,2-b]quinolin-11-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	669520	.	.	.	.	248.28	C16H12N2O	36.1	383	3.6	19	1	2	0	"InChI=1S/C16H12N2O/c1-18-13-9-5-3-7-11(13)16(19)14-15(18)10-6-2-4-8-12(10)17-14/h2-9,17H,1H3"	CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3	RSDQEJTWGFZASQ-UHFFFAOYSA-N
DG51042	"3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione"	178515	"NSC662425; UNII-U0UD40MVH3; NSC 662425; U0UD40MVH3; 138779-63-2; 3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione; 3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione; Naphthopyran der.; 3,3-dimethyl-2,4-dihydrobenzo[g]chromene-5,10-dione; CHEMBL511007; DTXSID10160780; NSC-662425; NCI60_021615; 3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione; 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	662425	.	.	.	.	242.27	C15H14O3	43.4	445	2.9	18	0	3	0	"InChI=1S/C15H14O3/c1-15(2)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-8-15/h3-6H,7-8H2,1-2H3"	CC1(CC2=C(C(=O)C3=CC=CC=C3C2=O)OC1)C	ULXYWPKYMYLJBG-UHFFFAOYSA-N
DG51043	"Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-"	179616	"NSC637828; UNII-XMV5IO689C; XMV5IO689C; Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-; 52978-89-9; NSC 637828; CHEMBL1979543; DTXSID60201016; NSC-637828; NCI60_012598; 3-Methylene-6,7:10,11-dibenz-1-oxaspiro(4.6)undec-8-en-2-one; Spiro[5H-dibenzo[a,2'(3'H)-furan]-5'-one, 4',5'-dihydro-4'-methylene-; 3'-methylenespiro[dibenzo[[ ],[ ]][7]annulene-11,5'-tetrahydrofuran]-2'-one; Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(5'H)-furan]-5'-one, 3',4'-dihydro-4'-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637828	.	.	.	.	274.3	C19H14O2	26.3	464	4.3	21	0	2	0	"InChI=1S/C19H14O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-11H,1,12H2"	C=C1CC2(C3=CC=CC=C3C=CC4=CC=CC=C42)OC1=O	HTMGHHHTOIMYDF-UHFFFAOYSA-N
DG51044	"Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-"	179617	"NSC637827; UNII-F919POH697; MLS002701677; F919POH697; 52978-90-2; Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-; Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(5'H)-furan]-5'-one, 3',4',10,11-tetrahydro-4'-methylene-; NSC 637827; CHEMBL1704518; DTXSID20201017; 3-Methylene-6,7:10,11-dibenz-1-oxaspiro(4.6)undecan-2-one; ZINC1625336; NSC-637827; NCI60_012597; SMR001565275; 3'-methylenespiro[5,6-dihydrodibenzo[[ ],[ ]][7]annulene-11,5'-tetrahydrofuran]-2'-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	637827	.	.	.	.	276.3	C19H16O2	26.3	429	4.1	21	0	2	0	"InChI=1S/C19H16O2/c1-13-12-19(21-18(13)20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)19/h2-9H,1,10-12H2"	C=C1CC2(C3=CC=CC=C3CCC4=CC=CC=C42)OC1=O	GHIMMECAKCIHTG-UHFFFAOYSA-N
DG51045	8-Methoxycirsilineol	181092	"8-Methoxycirsilineol; 7-Methylsudachitin; 16520-78-8; NSC654971; UNII-72Y87O5H1X; NSC-654971; 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxychromen-4-one; CHEMBL74272; 72Y87O5H1X; 5,4'-Dihidroxy-6,7,8,3'-tetramethoxyflavone; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; 7-O-Methylsudachietin; 4',5-Dihydroxy-3',6,7,8-tetramethoxy-flavone; SCHEMBL10997058; DTXSID40937048; BDBM50412268; LMPK12111475; NCI60_019001; XM177967; 5,4'-dihydroxy-6,7,8,3'-tetramethoxyflavone; Q27266108; 5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one; 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	654971	.	.	.	.	374.3	C19H18O8	104	564	2.9	27	2	8	5	"InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3"	COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O	UBZBPKARIHPOEC-UHFFFAOYSA-N
DG51046	Anhydrolycorinium chloride	181302	"ANHYDROLYCORINIUM CHLORIDE; NSC270693; 61221-42-9; Deoxylycobetaine chloride; NSC 270693; CHEMBL479292; DTXSID40976730; NSC-270693; [1,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-, chloride; (1,3)Dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium, 4,5-dihydro-, chloride; 4,5-Dihydro-10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-6-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270693	.	.	.	.	285.72	C16H12ClNO2	22.3	374	.	20	0	3	0	"InChI=1S/C16H12NO2.ClH/c1-2-10-4-5-17-8-11-6-14-15(19-9-18-14)7-13(11)12(3-1)16(10)17;/h1-3,6-8H,4-5,9H2;1H/q+1;/p-1"	C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4.[Cl-]	YUKCDVBATKXVAK-UHFFFAOYSA-M
DG51047	Hemigossypolone	182249	"Hemigossypolone; NSC650936; 35688-47-2; Para-Hemigossypolone; CHEMBL1988313; DTXSID10189193; CHEBI:174602; 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde; NSC-650936; NCI60_017780; 8-formyl-6,7-dihydroxy-5-isopropyl-3-methylnaphthoquinone; 5-Formyl-6,7-dihydroxy-8-isopropyl-2-methyl-1,4-naphthoquinone; 2,3-dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-naphthalene-1-carbaldehyde; 2,3-Dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenecarbaldehyde; 2,3-dihydroxy-6-methyl-5,8-dioxo-4-(propan-2-yl)-5,8-dihydronaphthalene-1-carbaldehyde; 5,8-Dihydro-2,3-dihydroxy-6-methyl-4-(1-methylethyl)-5,8-dioxo-1-naphthalenecarboxaldehyde, 9CI"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	650936	.	.	.	.	274.27	C15H14O5	91.7	479	2.3	20	2	5	2	"InChI=1S/C15H14O5/c1-6(2)10-12-11(8(5-16)14(19)15(10)20)9(17)4-7(3)13(12)18/h4-6,19-20H,1-3H3"	CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O	CERPPXZGSNEVMI-UHFFFAOYSA-N
DG51048	4-((3-Quinolinylmethyl)amino)benzenesulfonamide	182334	4-((3-quinolinylmethyl)amino)benzenesulfonamide; 62294-82-0; NSC299209; 4-(quinolin-3-ylmethylamino)benzenesulfonamide; MLS003115732; 3-(N-(4-Amidosulfonylphenyl)aminomethyl)quinoline; NSC-299209; NCIStruc1_001844; NCIStruc2_001479; CHEMBL1742112; DTXSID30211349; ZINC1871679; CCG-37068; NCGC00014668; NCI299209; NSC 299209; NCGC00014668-02; NCGC00097771-01; NCI60_002509; SMR001831303; DS-014425	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299209	.	.	.	.	313.4	C16H15N3O2S	93.5	455	2.2	22	2	5	4	"InChI=1S/C16H15N3O2S/c17-22(20,21)15-7-5-14(6-8-15)18-10-12-9-13-3-1-2-4-16(13)19-11-12/h1-9,11,18H,10H2,(H2,17,20,21)"	C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC=C(C=C3)S(=O)(=O)N	QOKXTFFZAZKIAD-UHFFFAOYSA-N
DG51049	Linichlorin A	182337	"Linichlorin A; Elegin; 62462-98-0; [(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate; 19-Desoxychlorojanerin; NSC304940; LINICHLORINA A; CHEMBL4291503; DTXSID00978033; ZINC4073948; AKOS030502077; MCULE-5398302587; NSC-304940; 2-Propenoic acid, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3a.alpha.,4.alpha.,6a.alpha.,8.beta.,9.alpha.,9a.alpha.,9b.beta.)]-; 9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304940	.	.	.	.	382.8	C19H23ClO6	93.1	700	1.6	26	2	6	4	"InChI=1S/C19H23ClO6/c1-8(2)17(22)25-12-5-9(3)11-6-13(21)19(24,7-20)15(11)16-14(12)10(4)18(23)26-16/h11-16,21,24H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19+/m0/s1"	CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O	ONMAQPPVCANFPB-URUZQALBSA-N
DG51050	Mivobulin isethionate	182762	"Mivobulin isethionate; 126268-81-3; CI-980; UNII-8J08028R66; 126268-81-3 (Isethionate); NSC-635370; 8J08028R66; Ethyl (S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazine-7-carbamate, mono(2-hydroxyethanesulfonate); Mivobulin isethionate (USAN); Mivobulin isethionate [USAN]; NSC-613862; NSC-370147; NSC 635370; SCHEMBL4191; CHEMBL1965985; ANTINEOPLASTIC-635370; DTXSID50155130; CI980; NSC635370; NSC-350386; NCI60_011758; NSC-635370 [(1:1) salt]; NSC-613863 [(+)-(R)-isomer]; D05062; 268M813; Q27270603; Carbamic acid,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester, (S)-; Carbamic acid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl) ethyl ester, (S)-, mono(2-hydroxyethanesulfonate); Carbamic acid,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester, (2S)-, mono(2-hydroxyethanesulfonate); Ethanesulfonic acid, compd. with ethyl N-[(2S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl]carbamate (1:1); Ethyl (S)-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate 2-hydroxyethane-1-sulfonate; ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate;2-hydroxyethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	635370	.	.	.	.	451.5	C19H25N5O6S	185	595	.	31	5	10	6	"InChI=1S/C17H19N5O2.C2H6O4S/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11;3-1-2-7(4,5)6/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23);3H,1-2H2,(H,4,5,6)/t10-;/m0./s1"	CCOC(=O)NC1=NC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O	JEFPWOBULVSOTM-PPHPATTJSA-N
DG51051	Cedronin	183337	"Cedronin; Cedronine; 111567-19-2; 7-epi-Cedronin; 9,12,18-trihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13-dione; CEDRONINE STEREOISOMER; DTXSID30912223; NSC267707; NSC283437; NSC-267707; NSC-283437; (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11,11a,11b-Hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione; 111614-53-0; 1,6,11-Trihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,10(5H,6H)-dione; 2H-5a,2,5-(Methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione, 1,7,7a,11,11a,11b-hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-, (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267707	.	.	.	.	364.4	C19H24O7	113	761	-1	26	3	7	0	"InChI=1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,10-15,21-23H,5-6H2,1-3H3"	CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O	FNBJCARFLWAAPK-UHFFFAOYSA-N
DG51052	N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride	183394	N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride; 112022-23-8; NSC617956; CHEMBL2000939; DTXSID50149832; NSC-617956	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617956	.	.	.	.	346.8	C18H19ClN2O3	58.6	452	.	24	2	4	4	"InChI=1S/C18H18N2O3.ClH/c1-20(2)11-10-19-18(22)14-8-5-7-13-16(21)12-6-3-4-9-15(12)23-17(13)14;/h3-9H,10-11H2,1-2H3,(H,19,22);1H"	CN(C)CCNC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl	WRKVHGNZPOIJPQ-UHFFFAOYSA-N
DG51053	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride"	183397	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride; 112022-27-2; NSC617957; NSC 617957; N-(2-Dimethylaminoethyl)-10H-phenothiazine-1-carboxamide hydrochloride; CHEMBL1997367; DTXSID70149834; NSC-617957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	617957	.	.	.	.	349.9	C17H20ClN3OS	69.7	390	.	23	3	4	4	"InChI=1S/C17H19N3OS.ClH/c1-20(2)11-10-18-17(21)12-6-5-9-15-16(12)19-13-7-3-4-8-14(13)22-15;/h3-9,19H,10-11H2,1-2H3,(H,18,21);1H"	CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3N2.Cl	FVMCEKURGLZQBR-UHFFFAOYSA-N
DG51054	Almeine	183727	"Almeine; 125762-58-5; Almein; (+-)-Almeine; NSC633788; CHEMBL1991484; DTXSID80925262; NSC-633788; NCI60_011232; 5-Methyl-2-(prop-1-en-2-yl)-3,5-dihydrofuro[3,2-c]quinolin-4(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	633788	.	.	.	.	241.28	C15H15NO2	29.5	438	2.6	18	0	2	1	"InChI=1S/C15H15NO2/c1-9(2)13-8-11-14(18-13)10-6-4-5-7-12(10)16(3)15(11)17/h4-7,13H,1,8H2,2-3H3"	CC(=C)C1CC2=C(O1)C3=CC=CC=C3N(C2=O)C	DXOQSCPOXTUANK-UHFFFAOYSA-N
DG51055	"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-"	184077	"109466-93-5; NSC606172; NSC 606172; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-8-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-; Neuro_000229; CHEMBL50197; 11-Formyl-20(RS)-camptothecin; DTXSID40911202; NSC-606172; NCI60_004654; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-8- carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14- dioxo-, (+-)-; 4-Ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8-carbaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606172	.	.	.	.	376.4	C21H16N2O5	96.8	818	0.4	28	1	6	2	"InChI=1S/C21H16N2O5/c1-2-21(27)15-7-17-18-13(6-12-4-3-11(9-24)5-16(12)22-18)8-23(17)19(25)14(15)10-28-20(21)26/h3-7,9,27H,2,8,10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C=O)O	AMDHQGZVCWWZCS-UHFFFAOYSA-N
DG51056	"3,3':4',3''-Terthiophene"	184440	"3,3':4',3''-Terthiophene; 105124-98-9; UNII-Y7O1CPR2TH; NSC700232; Y7O1CPR2TH; 3,4-di(thiophen-3-yl)thiophene; NSC 700232; 3,4-bis(3-thienyl)thiophene; CHEMBL1967882; SCHEMBL22734811; DTXSID90909351; 4-(thiophen-3-yl)-3,3'-bithiophene; NSC-700232; NCI60_035966; 1~3~,2~3~:2~4~,3~3~-Terthiophene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	700232	.	.	.	.	248.4	C12H8S3	84.7	197	4.2	15	0	3	2	InChI=1S/C12H8S3/c1-3-13-5-9(1)11-7-15-8-12(11)10-2-4-14-6-10/h1-8H	C1=CSC=C1C2=CSC=C2C3=CSC=C3	GGJALWBSCQLFFP-UHFFFAOYSA-N
DG51057	"Benzamide, N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-"	186169	"UNII-H06U8IR75A; MLS002701918; CHEMBL458114; H06U8IR75A; 33581-05-4; Benzamide, N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-; n-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitrobenzamide; NSC79459; NSC 79459; o-Salicylanisidide, 5'-chloro-3-nitro-; cid_186169; SCHEMBL7160891; DTXSID10955214; BDBM50275167; NSC-79459; NCI60_041753; SMR001565502; DS-009744; 5'-Chloro-2'-methoxy-3-nitrosalicylanilide; N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide; N-(5-Chloro-2-methoxyphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79459	.	.	.	.	322.7	C14H11ClN2O5	104	417	3.4	22	2	5	3	"InChI=1S/C14H11ClN2O5/c1-22-12-6-5-8(15)7-10(12)16-14(19)9-3-2-4-11(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)"	COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	SXKNMJHRHWIFCI-UHFFFAOYSA-N
DG51058	"Benzamide, N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-"	186171	"33581-08-7; n-(2,4-dimethylphenyl)-2-hydroxy-3-nitrobenzamide; NSC79456; Benzamide, N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-; CHEMBL458830; Benzamide, N- (2,4-dimethylphenyl)-2-hydroxy-3-nitro-; 2',4'-Salicyloxylidide, 3-nitro-; NSC 79456; WR 25818; NCIMech_000441; SCHEMBL2060501; DTXSID90955217; 3-Nitro-2',4'-salicyloxylidide; BDBM50275168; CCG-35523; NSC-79456; 2',4'-Dimethyl-3-nitrosalicylanilide; NCI60_041752; DS-009743; Benzamide,4-dimethylphenyl)-2-hydroxy-3-nitro-; N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide; N-(2,4-Dimethylphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79456	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-6-7-12(10(2)8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C	CBRBNMYCBQPPAE-UHFFFAOYSA-N
DG51059	"1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid"	189011	"NSC623959; 10022-82-9; 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid; 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid; Harman-3-carbonsaure; gallium8-hydroxyquinolinate; SCHEMBL1520351; 1-Methyl-3,4-dihydro-beta-carboline-3-carboxylic acid; CHEMBL1209033; SCHEMBL21379762; DTXSID70905275; NSC-623959; NCI60_007178; FT-0778006; 1-Methyl-4,9-dihydro-3H-.beta.-carboline-3-carboxylic acid; 3H-Pyrido(3,4-b)indole-3-carboxylic acid, 4,9-dihydro-1-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	623959	.	.	.	.	228.25	C13H12N2O2	65.4	366	1.9	17	2	3	1	"InChI=1S/C13H12N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,11,15H,6H2,1H3,(H,16,17)"	CC1=NC(CC2=C1NC3=CC=CC=C23)C(=O)O	DEAAKPHRJVNJBN-UHFFFAOYSA-N
DG51060	"5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	189214	"5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one; NSC657807; 114529-11-2; (1S)-5-Oxo-borneol; 2-Exo-hydroxy-5-ketobornane; 6-Hydroxy-1,7,7-trimethylbicyclo(2.2.1)heptan-3-one; CHEMBL1967176; SCHEMBL23365823; DTXSID70921410; STL229421; AKOS000267703; MCULE-2686335795; NSC-657807; NCI60_020150; 5-hydroxy-4,7,7-trimethyl-norbornan-2-one; A806222; 5-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one #; 5-hydroxy-4,7,7-trimethyl-norbornan-2-one;2-Methyl-5-nitroanisole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	657807	.	.	.	.	168.23	C10H16O2	37.3	244	1.1	12	1	2	0	"InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6,8,12H,4-5H2,1-3H3"	CC1(C2CC(C1(CC2=O)C)O)C	ASKUROQIUGODMQ-UHFFFAOYSA-N
DG51061	"8,9-Dimethoxycamptothecin"	190756	"8,9-Dimethoxycamptothecin; 104155-88-6; NSC328410; 4-Ethyl-4-hydroxy-8,9-dimethoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 10,11-Dimethoxy-20(RS)camptothecin; CHEMBL50508; DTXSID60908831; ethyl-hydroxy-dimethoxy-[ ]dione; NSC-328410; NCI60_002854; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-8,9-dimethoxy-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8, 9-dimethoxy-, (+-)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8,9-dimethoxy-, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328410	.	.	.	.	408.4	C22H20N2O6	98.2	838	0.9	30	1	7	3	"InChI=1S/C22H20N2O6/c1-4-22(27)14-7-16-19-12(9-24(16)20(25)13(14)10-30-21(22)26)5-11-6-17(28-2)18(29-3)8-15(11)23-19/h5-8,27H,4,9-10H2,1-3H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)OC)OC)O	IYAQFMAQDYIFSH-UHFFFAOYSA-N
DG51062	"Camptothecin, 10-amino-"	190763	"104195-62-2; NSC369395; (+-)-10-NH2-Camptothecin; (.+-.)-10-Aminocamptothecin; Camptothecin, 10-amino-; 1H-Pyrano3,4:6,7indolizino1,2-bquinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-; 7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione; 9-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; CHEMBL48156; DTXSID70908842; NSC-369395; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-; NCI60_003405; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline3,14(4H,12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (+ -)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline3,14(4H, 12H)-dione, 9-amino-4-ethyl-4-hydroxy-, (+-)-; 4-ethyl-4-hydroxy-9-amino-1h-pyrano[3',4':6,7] indolizino [1,2-b]quinoline-3,14(4h,12h)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369395	.	.	.	.	363.4	C20H17N3O4	106	775	0.3	27	2	6	1	"InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O	MVUUMBZAHAKPKQ-UHFFFAOYSA-N
DG51063	10-Hydroxy-9-nitrocamptothecin	190791	"104267-73-4; 9-Hydroxy-10-nitrocamptothecin; 10-HYDROXY-9-NITROCAMPTOTHECIN; 9-Nitro-10-hydroxycamptothecin; (19S)-19-ethyl-7,19-dihydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione; CHEMBL77259; SCHEMBL7630265; CPT-109; DTXSID10908881; AMY24953; ZINC5422755; NSC603076; NSC-603076; 9-Nitro-10-hydroxy-20(S)-camptothecin; 10-hydroxy-9-nitrocamptothecin, AldrichCPR; H11761; 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (4S)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (S)-; 4-Ethyl-4,9-dihydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603076	.	.	.	.	409.3	C20H15N3O7	146	893	1	30	2	8	1	"InChI=1S/C20H15N3O7/c1-2-20(27)12-6-14-16-9(7-22(14)18(25)11(12)8-30-19(20)26)5-10-13(21-16)3-4-15(24)17(10)23(28)29/h3-6,24,27H,2,7-8H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O	DTZABKRGTMUGCV-FQEVSTJZSA-N
DG51064	5-Benzyloxybenzylbarbituric acid	192294	"5-Benzyloxybenzylbarbituric acid; 138660-08-9; 5-(m-Benzyloxy)benzylbarbituric Acid; NSC685357; SCHEMBL1495218; DTXSID70160741; 5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione; 5-(3-Benzyloxybenzyl)barbituric acid; NSC-685357; 5-[3-(Benzyloxy)benzyl]barbituric acid; NCI60_030689; 5-(3-(Benzyloxy)benzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-[(3-benzyloxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	685357	.	.	.	.	324.3	C18H16N2O4	84.5	467	2.3	24	2	4	5	"InChI=1S/C18H16N2O4/c21-16-15(17(22)20-18(23)19-16)10-13-7-4-8-14(9-13)24-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,19,20,21,22,23)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)NC3=O	LHGZUAAZPCYFIW-UHFFFAOYSA-N
DG51065	"Ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate"	193106	"Sch 18099; 28953-25-5; Sch-18099; ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate; ethyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate; DTXSID50183150; ZINC475747; NSC767188; STK440742; AKOS003325215; MCULE-4278613963; NSC-767188; Ethyl-6-ethoxybenzothiazole-2-carbamate; SR-01000256661; SR-01000256661-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	767188	.	.	.	.	266.32	C12H14N2O3S	88.7	291	3.4	18	1	5	5	"InChI=1S/C12H14N2O3S/c1-3-16-8-5-6-9-10(7-8)18-11(13-9)14-12(15)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14,15)"	CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC	IOVKGYFVWSODCN-UHFFFAOYSA-N
DG51066	N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide	196970	"E7820; 289483-69-8; E-7820; E 7820; 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide; UNII-TVH5K7949N; TVH5K7949N; Benzenesulfonamide, 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)-; NSC-719239; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzenesulfonamide; 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide; O6M; SCHEMBL1581157; ZINC8704; CHEMBL4297376; DTXSID20183142; 3-Cyano-N-(3-cyano-4-methyl-1H-indole-7-yl)benzensulfonamide; BCP25835; EX-A1818; NSC719239; NSC777573; s6628; AKOS032944953; CS-6075; DB12505; NSC-777573; SB16542; BS-16799; HY-14571; ER68203-00; FT-0714239; ER-68203-00; F20780; Q27290435; E-7820;E 7820;ER68203-00; N-(3-cyano-4-methyl-1H -indol-7-yl)3-cyanobenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	719239	.	.	.	.	336.4	C17H12N4O2S	118	668	2.4	24	2	5	3	"InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3"	CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N	LWGUASZLXHYWIV-UHFFFAOYSA-N
DG51067	Methyl violet	196986	"Methyl violet; Gentian Violet B; 603-47-4; Pentamethyl pararosaniline chloride; UNII-V3Z44MJ9SB; MFCD00012568; V3Z44MJ9SB; 4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride; 4-[[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N-dimethylaniline monohydrochloride; Methyl Violet 2BN200; 4-((4-(Dimethylamino)phenyl)(4-(methylimino)cyclohexa-2,5-dien-1-ylidene)methyl)-N,N-dimethylaniline monohydrochloride; EINECS 210-042-3; NSC 47731; Methyl Violet dye salt; Benzenamine, 4-((4-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-N,N-dimethyl-, monohydrochloride; Methyl Violet (Crystal Violet); Pyoktanin Blue, SAJ first grade; DTXSID90943876; Pyoktanin Blue, SAJ special grade; Methyl Violet (C.I. 42535); NSC47731; NSC-47731; Methyl Violet 2B (C.I. 42535); PENTAMETHYLPARAROSANILINE CHLORIDE; Benzenamine, N,N-dimethyl-4-((4-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-, monohydrochloride; T318; 3-N-Boc-amino-2-hydroxy-5-methylacetophenone; UNII-H2G44K8M7S component JFTBTTPUYRGXDG-UHFFFAOYSA-N; Methyl violet 2B, certified by the Biological Stain Commission; Aniline,5-cyclohexadien-1-ylidene]methyl]-N,N-dimethyl-, monohydrochloride; Benzenamine,5-cyclohexadien-1-ylidene]methyl]-N,N-dimethyl-, monohydrochloride; 21325-96-2; 4,4'-{[4-(Methylimino)cyclohexa-2,5-dien-1-ylidene]methylene}bis(N,N-dimethylaniline)--hydrogen chloride (1/1); Aniline, p-((p-(dimethylamino)phenyl)(4-(methylimino)-2,5-cyclohexadien-1-ylidene)methyl)-N,N-dimethyl-, monohydrochloride (8CI); Methyl violet, for microscopy (Bact., Bot., Hist.), indicator (pH 0.1-2.0), mixture of polymethylated pararosaniline hydrochlorides"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47731	.	.	.	.	393.9	C24H28ClN3	18.8	560	.	28	1	3	4	"InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H"	CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1.Cl	JFTBTTPUYRGXDG-UHFFFAOYSA-N
DG51068	"(2,4-Dichlorobenzyl)triphenylphosphonium Chloride"	196999	"(2,4-Dichlorobenzyl)triphenylphosphonium Chloride; 2492-23-1; (2,4-dichlorophenyl)methyl-triphenylphosphanium;chloride; 2,4-Dichlorobenzyltriphenylphosphonium chloride; Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride; Phosphonium,4-dichlorobenzyl)triphenyl-, chloride; EINECS 219-659-2; NSC 110363; NSC 124000; Phosphonium,4-dichlorophenyl)methyl]triphenyl-, chloride; ((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride; SCHEMBL2121385; CHEMBL1995436; DTXSID20947802; AMY39330; BCP05506; MFCD00031641; NSC124000; AKOS015833180; PHOSPHONIUM, [(2,4-DICHLOROPHENYL)METHYL]TRIPHENYL-, CHLORIDE (1:1); GC10180; MCULE-8706970266; NSC-110363; NSC-124000; DB-046580; D2907; FT-0634324; Triphenyl(2,4-dichlorobenzyl)phosphonium Chloride; J-500579; (2,4-dichlorophenyl)methyl-triphenylphosphanium,chloride; [(2,4-Dichlorophenyl)methyl](triphenyl)phosphanium chloride; Phosphonium, ((2,4-dichlorophenyl)methyl)triphenyl-, chloride (9CI); (2,4-DICHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE;PHOSPHONIUM, [(2,4-DICHLOROPHENYL)METHYL]TRIPHENYL-, CHLORIDE (1:1);TRIPHENYL(2,4-DICHLOROBENZYL)PHOSPHONIUM CHLORIDE;[(2,4-DICHLOROPHENYL)METHYL]TRIPHENYLPHOSPHANIUM CHLORIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110363	.	.	.	.	457.8	C25H20Cl3P	0	418	.	29	0	1	5	"InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1"	C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]	FWBSWSPGFNAXPP-UHFFFAOYSA-M
DG51069	"13,13-Dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione"	197204	"Quadrone; NSC284437; NSC-284437; 66550-08-1; CHEMBL2000102; SCHEMBL11327085; 6,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-; 6,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-; 6,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284437	.	.	.	.	248.32	C15H20O3	43.4	453	2.2	18	0	3	0	"InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3"	CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C	BBIDMUQZCCGABN-UHFFFAOYSA-N
DG51070	Antibiotic SF 2446A1	197261	"NSC624488; 115834-23-6; Streptomyces antibiotic SF-2446-A-1; Antibiotic SF 2446A1; Antibiotic SF 2446A2; SF 2446A1; Sf2446a2; SF 2446A2; CHEMBL1997973; SCHEMBL16048148; DTXSID70921819; SF2446A1; ZTM000990; NSC-624488; 115936-68-0; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6-alpha,6a-beta,14a-beta)-; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-alpha-L-manopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6alpha,6abeta,14abeta)-; Benzo(a)naphthacene-2-carboxylic acid, 11-((6-deoxy-2,4-di-O-methyl-beta-L-mannopyranosyl)amino)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6-alpha,6a-beta,14a-beta)-; NCI60_007424; 11-(2,4-di-O-methylrhamnopyranosyl)amino-5,6,6a,14a-tetrahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-2-methoxycarbonyl-3-methylbenzo(a)naphthacene-7,9,12,14-tetraone; 6-deoxy-2,4-di-O-methyl-N-[1,6,8,14a-tetrahydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]hexopyranosylamine; methyl 1,6,8,14a-tetrahydroxy-11-[(4-hydroxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl)amino]-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate; N-(1,6,8,14a-Tetrahydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]naphthacen-11-yl)-6-deoxy-2,4-di-O-methylhexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624488	.	.	.	.	697.6	C34H35NO15	245	1470	1	50	6	16	7	"InChI=1S/C34H35NO15/c1-11-7-13-8-18(37)34(49-6)30(43)21-15(29(42)33(34,45)22(13)25(40)19(11)32(44)48-5)9-14-20(24(21)39)17(36)10-16(23(14)38)35-31-28(47-4)26(41)27(46-3)12(2)50-31/h7,9-10,12,18,26-28,31,35,37,39-41,45H,8H2,1-6H3"	CC1C(C(C(C(O1)NC2=CC(=O)C3=C(C4=C(C=C3C2=O)C(=O)C5(C6=C(CC(C5(C4=O)OC)O)C=C(C(=C6O)C(=O)OC)C)O)O)OC)O)OC	QAXIGMXDHAMYPV-UHFFFAOYSA-N
DG51071	Aplysinamisine III	197606	"Aplysinamisine III; 150417-69-9; Aplysinamisine-III; NSC666272; DTXSID60933941; 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-(acetylamino)-1-hydroxyethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-; N-(3-(4-(2-(Acetylamino)-1-hydroxyethyl)-2,6-dibromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide; N-[2-(3,5-Dibromo-4-{3-[(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]propoxy}phenyl)-2-hydroxyethyl]ethanimidic acid; N-[3-[4-(2-acetamido-1-hydroxy-ethyl)-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide; N-[3-[4-(2-acetamido-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	666272	.	.	.	.	775.1	C23H25Br4N3O7	139	951	2.1	37	4	8	10	"InChI=1S/C23H25Br4N3O7/c1-11(31)29-10-17(32)12-6-13(24)19(14(25)7-12)36-5-3-4-28-22(34)16-9-23(37-30-16)8-15(26)20(35-2)18(27)21(23)33/h6-8,17,21,32-33H,3-5,9-10H2,1-2H3,(H,28,34)(H,29,31)"	CC(=O)NCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2)C=C(C(=C(C3O)Br)OC)Br)Br)O	WGLJDQYUOYCSPY-UHFFFAOYSA-N
DG51072	(2-Methylbenzyl)triphenylphosphonium bromide	197738	"1530-36-5; (2-Methylbenzyl)triphenylphosphonium bromide; 2-METHYLBENZYL TRIPHENYLPHOSPHONIUM BROMIDE; (o-Methylbenzyl)triphenylphosphonium bromide; Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide; (2-methylphenyl)methyl-triphenylphosphanium;bromide; EINECS 216-227-5; NSC 77140; Phosphonium, (o-methylbenzyl)triphenyl-, bromide; Phosphonium, [(2-methylphenyl)methyl]triphenyl-, bromide; SCHEMBL2451357; CHEMBL3229243; DTXSID90934648; WLN: 1R B1PR&R&R &E; NSC77140; NSC-77140; 1-(3-hydroxypropyl)-3-(p-tolyl)urea; DB-043173; FT-0605001; A809380; [(2-methylphenyl)methyl]triphenylphosphonium bromide; [(2-Methylphenyl)methyl](triphenyl)phosphanium bromide; Phosphonium, ((2-methylphenyl)methyl)triphenyl-, bromide (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77140	.	.	.	.	447.3	C26H24BrP	0	380	.	28	0	1	5	"InChI=1S/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1"	CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]	XDCQNYYELACHOT-UHFFFAOYSA-M
DG51073	Allyltriphenylphosphonium bromide	197740	"Allyltriphenylphosphonium bromide; 1560-54-9; Phosphonium, triphenyl-2-propenyl-, bromide; Triphenyl allylphosphonium bromide; MFCD00011808; allyl triphenylphosphonium bromide; UNII-QT9PR2Z47K; QT9PR2Z47K; triphenyl(prop-2-enyl)phosphanium;bromide; Phosphonium, triphenyl-2-propen-1-yl-, bromide (1:1); WLN: 1U2PR&R&R &E; EINECS 216-332-6; NSC 59815; Phosphonium, allyltriphenyl-, bromide; NSC 110609; Allyltriphenylphosphonium bromide (TAL); 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE; triphenyl(prop-2-en-1-yl)phosphanium bromide; C21H20BrP; SCHEMBL161017; CHEMBL3229256; DTXSID90935337; allyl triphenyl phosphonium bromide; BAA56054; BCP22494; NSC59815; NSC-59815; NSC110609; ZB1719; AKOS015832986; AKOS025117491; CS-W011757; JC10067; NSC-110609; AC-15861; SY048571; DB-009569; FT-0622015; D70162; A809714; Phosphonium, triphenyl-2-propenyl-, bromide (9CI); W-108014; 2-PROPENYLTRIPHENYLPHOSPHONIUM BROMIDE;ALLYLTRIPHENYLPHOSPHONIUM BROMIDE;TAL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110609	.	.	.	.	383.3	C21H20BrP	0	284	.	23	0	1	5	"InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1"	C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]	FWYKRJUVEOBFGH-UHFFFAOYSA-M
DG51074	Proflavine hydrochloride	197873	"952-23-8; acridine-3,6-diamine hydrochloride; Proflavine hydrochloride; 3,6-Diaminoacridine hydrochloride; Proflavine monohydrochloride; Proflavin hydrochloride; Proflavine HCl; 3,6-ACRIDINEDIAMINE, MONOHYDROCHLORIDE; 3,6-DIAMINOACRIDINE HCL; 7459-75-8; Proflavine.HCl hemihydrate; acridine-3,6-diamine;hydrochloride; NSC605756; CHEBI:74718; 3,6-Diaminoacridine monohydrochloride; UNII-51AA3SI0JM; 3,6-Acridinediamine xhydrochloride; 3,6-diaminoacridinium chloride; 51AA3SI0JM; 1,7-Diaminoacridine hydrochloride; EINECS 231-239-0; Acridine, 3,6-diamino-, hydrochloride; proflavine.HCl; 3,6-diaminoacridine.HCl; DSSTox_CID_1191; DSSTox_RID_76001; DSSTox_GSID_21191; SCHEMBL664629; CHEMBL606782; DTXSID8021191; 3.6-Diaminoacridine hydrochloride; Tox21_200513; CCG-35221; MFCD00066867; AKOS015894696; MCULE-9156937078; NSC-605756; NCGC00258067-01; CAS-952-23-8; LS-14190; 3,6-Acridinediamine, hydrochloride (8CI); CS-0156837; FT-0699261; D84168; A859121; 3,6-Diaminoacridine hydrochloride, Dye content 95 %; Q27144855"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605756	.	.	.	.	245.71	C13H12ClN3	64.9	232	.	17	3	3	0	"InChI=1S/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H"	C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl	PBBGTVBGXBUVLT-UHFFFAOYSA-N
DG51075	Dehydroepiandrosterone mustard	198019	"Dehydroepiandrosterone mustard; NSC-121210; 24141-90-0; Testosterone mustard; (3beta)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androst-5-en-17-one; CHEMBL1995088; ZINC4825250; NSC121210; NSC 121210; Androst-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-; NCI60_000498; Androst-5-en-17-one, [p-[bis(2-chloroethyl)amino]phenyl]acetate; 3.beta.-Hydroxyandrost-5-en-17-one-p-[bis(2-chloroethyl)aminophenyl]acetate; Androst-5-en-17-one, 3beta-hydroxy-, (p-(bis(2-chloroethyl)amino)phenyl)acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121210	.	.	.	.	546.6	C31H41Cl2NO3	46.6	878	6.7	37	0	4	9	"InChI=1S/C31H41Cl2NO3/c1-30-13-11-24(37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33)20-22(30)5-8-25-26-9-10-28(35)31(26,2)14-12-27(25)30/h3-7,24-27H,8-20H2,1-2H3/t24-,25-,26-,27-,30-,31-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C	XMEZZNCIZQQXCV-AXOMYGEFSA-N
DG51076	"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide"	198691	"107089-77-0; 4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide; 3-Chloro-4-ethyl-4H-1,2,4-benzothiadiazin-1,1-dioxide; NSC373854; 3-Chloro-4-ethyl-4H-1,2,4-benzothiadiazine 1,1-dioxide; 3-chloro-4-ethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide; 3-chloro-4-ethyl 4H-1,2,4-benzothiadiazine 1,1-dioxide; NSC 373854; BRN 4450756; SCHEMBL749953; CHEMBL1981100; DTXSID30147896; ZINC1589160; MFCD01762901; NSC-373854; NCI60_003488; 3-chloro-4-ethyl-1,2,4-benzothiadiazine-1,1-dioxide; 4H-1,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide; 3-chloro-4-ethyl-1$l^{6},2,4-benzothiadiazine 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373854	.	.	.	.	244.7	C9H9ClN2O2S	58.1	374	2	15	0	3	1	"InChI=1S/C9H9ClN2O2S/c1-2-12-7-5-3-4-6-8(7)15(13,14)11-9(12)10/h3-6H,2H2,1H3"	CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl	SIWVDIITQBPZGK-UHFFFAOYSA-N
DG51077	Amythiamicin A	198789	"Amythiamicin A; NSC677423; 152741-89-4; Amythiamycin A; CHEMBL1971330; NSC-677423; 9H,16H-8,5:15,12:22,19:32,29:36,33-Pentanitrilo-5H,29H,33H-pyrido(3,2-al) (1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontine-11-acetamide, 10,11,17,18,23,24,25,26,27,28-decahydro-2-(4-(4-((2-(aminocarbonyl)-1-pyrrolidinyl)carbonyl)-4,5-dihydro-2-oxalyl)-2-thiazolyl)-18,28-(bis(1-methylethyl)-N,14-dimethyl-; NCI60_027665; 1-[2-[2-[diisopropyl-methyl-[2-(methylamino)-2-oxo-ethyl]-tetraoxo-[ ]yl]thiazol-4-yl]-4,5-dihydrooxazole-4-carbonyl]pyrrolidine-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	677423	.	.	.	.	1182.4	C50H51N15O8S6	490	2320	4.1	79	6	22	8	"InChI=1S/C50H51N15O8S6/c1-20(2)35-48-61-31(19-78-48)46-57-27(15-75-46)38-23(9-10-24(54-38)45-60-30(18-76-45)43-56-26(14-73-43)50(72)65-11-7-8-32(65)39(51)68)44-58-29(17-74-44)41(70)55-25(12-33(66)52-6)47-64-37(22(5)79-47)42(71)63-36(21(3)4)49-59-28(16-77-49)40(69)53-13-34(67)62-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H2,51,68)(H,52,66)(H,53,69)(H,55,70)(H,62,67)(H,63,71)"	CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C	BAGBLRBLZUISAJ-UHFFFAOYSA-N
DG51078	"1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride"	198915	"1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride; 3489-15-4; 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride; 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride; C18H19ClN2O; 1-(p-Methoxyphenyl)tetrahydronorharman hydrochloride; 9H-Pyrido(3,4-6)indole, 1,2,3,4-tetrahydro-1-(p-methoxyphenyl)-, hydrochloride; CHEMBL1979317; 1096AE; MFCD01223325; NSC628013; 1-(4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride; AKOS015849690; MCULE-2467786608; NSC-628013; CS-0302958; Z48968236"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628013	.	.	.	.	314.8	C18H19ClN2O	37	353	.	22	3	2	2	"InChI=1S/C18H18N2O.ClH/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18;/h2-9,17,19-20H,10-11H2,1H3;1H"	COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl	QMJGOWGNDWTVIH-UHFFFAOYSA-N
DG51079	"4,4'-(Dithiodimethylene)dipyridine"	199500	"1020-71-9; 4,4'-(Dithiodimethylene)dipyridine; NSC92988; 4-(((4-Pyridinylmethyl)dithio)methyl)pyridine; Pyridine, 4,4'-[dithiobis(methylene)]bis-; 4-[(pyridin-4-ylmethyldisulfanyl)methyl]pyridine; UNII-5JVO6RU58B; 5JVO6RU58B; NSC-92988; 4,4/'-(DITHIODIMETHYLENE)DIPYRIDINE; 1,2-Bis(4-pyridylmethyl)disulfane; NSC 92988; NCIStruc1_000841; NCIStruc2_000390; Bis-(4-pyridylmethyl)disulfide; Bis(4-pyridylmethyl) persulfide; CHEMBL1327466; Bis(4-pyridinylmethyl) disulfide; DTXSID30144522; NCI92988; CCG-38213; MFCD00966964; NCGC00013972; ZINC15865840; 1,2-Bis(pyridin-4-ylmethyl)disulfane; NCGC00013972-02; NCGC00097081-01; 4,4-(DITHIODIMETHYLENE)DIPYRIDINE; NCI60_042068; SY264611; 1,2-bis([pyridine-4-yl]methyl)disulphane; DB-026154; FT-0623051; 4-[(4-pyridylmethyldisulfanyl)methyl]pyridine; 4-{[(4-pyridinylmethyl)disulfanyl]methyl}pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92988	.	.	.	.	248.4	C12H12N2S2	76.4	158	1.8	16	0	4	5	"InChI=1S/C12H12N2S2/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-8H,9-10H2"	C1=CN=CC=C1CSSCC2=CC=NC=C2	DAVWLGVBAUGEOK-UHFFFAOYSA-N
DG51080	"(2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-"	199848	"5100-91-4; (2)Benzopyrano(3',4':4,5)pyrrolo(2,3-f)quinolin-8-one, 8,13-dihydro-; Isochromeno[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-one; BRN 0548875; 8-Oxo-8H-isochromeno(4',3':4,5)pyrrolo(2,3-f)quinoline; [2]Benzopyrano[3',4':4,5]pyrrolo[2,3-f]isoquinolin-8(13H)-one; DTXSID00199009; NSC742939; NSC-742939"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	742939	.	.	.	.	286.3	C18H10N2O2	55	468	3.4	22	1	3	0	"InChI=1S/C18H10N2O2/c21-18-13-4-2-1-3-12(13)16-17(22-18)14-6-5-10-9-19-8-7-11(10)15(14)20-16/h1-9,20H"	C1=CC=C2C(=C1)C3=C(C4=C(N3)C5=C(C=C4)C=NC=C5)OC2=O	VDZSVNWJENESME-UHFFFAOYSA-N
DG51081	"Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride"	200222	"1150-41-0; Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride; 3-Guanidino-1-methylbenzo(f)quinazoline hydrochloride; 1-(1-Methylbenzo[f]quinazolin-3-yl)guanidine hydrochloride; NSC 96641; 3-Guanidino-1-methylbenzo[f]quinazoline hydrochloride; AI3-60149; DTXSID90150927; Benzo[f]quinazoline, hydrochloride; NSC96641; NSC-96641; WLN: T B666 DN FNJ C1 EMYM&Z &GH; Guanidine, (1-methylbenzo(f)quinazolin-3-yl)-, monohydrochloride (8CI)(9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96641	.	.	.	.	287.75	C14H14ClN5	90.2	352	.	20	3	3	1	"InChI=1S/C14H13N5.ClH/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)18-14(17-8)19-13(15)16;/h2-7H,1H3,(H4,15,16,17,18,19);1H"	CC1=C2C(=NC(=N1)N=C(N)N)C=CC3=CC=CC=C32.Cl	OSIPRQQLLSQBDZ-UHFFFAOYSA-N
DG51082	"1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-"	200566	"NSC665713; 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-; 2262-67-1; BRN 0631680; 8-(3-((4-Fluorophenyl)thio)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[3-[(4-Fluorophenyl)thio]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 4-Oxo-8-(3-(4-fluorophenylthio)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decane; CHEMBL2000997; DTXSID90177139; ZINC1640702; NSC-665713; 8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; NCI60_022699"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	665713	.	.	.	.	399.5	C22H26FN3OS	60.9	512	3.9	28	1	5	6	"InChI=1S/C22H26FN3OS/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)"	C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F	FRWHAGPZSVSWSM-UHFFFAOYSA-N
DG51083	"3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride"	201553	"156-12-7; 2643-14-3; dl-m,p-Dicloro-alpha-metilfenetilamina HCl [Italian]; 3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride; dl-3,4-Dichloro-alpha-methylphenethylamine hydrochloride; Phenethylamine, 3,4-dichloro-alpha-methyl-, hydrochloride, dl-; dl-m,p-Dicloro-alpha-metilfenetilamina HCl; CHEMBL1987806; DTXSID30949317; Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride; NSC93734; NSC-93734; 6229-86-3; DS-006872; 3,4-DICHLOROPHENYL-2-AMINOPROPANE HYDROCHLORIDE; 1-(3,4-Dichlorophenyl)propan-2-amine--hydrogen chloride (1/1); Benzeneethanamine,3,4-dichloro-a-methyl-, hydrochloride, (+)-(9ci)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93734	.	.	.	.	240.6	C9H12Cl3N	26	141	.	13	2	1	2	"InChI=1S/C9H11Cl2N.ClH/c1-6(12)4-7-2-3-8(10)9(11)5-7;/h2-3,5-6H,4,12H2,1H3;1H"	CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl	OFHUVEDFQIRAKY-UHFFFAOYSA-N
DG51084	Alyssin	206035	"ALYSSIN; 646-23-1; Alyssin, (S)-; 1-Isothiocyanato-5-(methylsulfinyl)pentane; Alyssin, (R)-; 1-isothiocyanato-5-methylsulfinylpentane; CHEMBL4520951; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-; 5-methylsulfinylpentyl isothiocyanate; 167963-04-4; 167963-06-6; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-, (R)-; Pentane, 1-isothiocyanato-5-(methylsulfinyl)-, (S)-; R,S-alyssin; SCHEMBL1607149; DTXSID50983213; CHEBI:138755; 5-Methylsulfinylpentylisothiocyanate; BDBM50508431; NSC782920; 1-Isothiocyanato-6-thiaheptane6-oxide; AKOS006271623; NSC-782920; 5-(Methylsulfinyl)-pentyl isothiocyanate; 1-Isothiocyanato-5-(methanesulfinyl)pentane; DB-054699; FT-0632743; (R)-1-Isothiocyanato-5-(methylsulfinyl)pentane; (S)-1-Isothiocyanato-5-(methylsulfinyl)pentane; Isothiocyanic acid, 5-(methylsulfinyl)pentyl ester; Q27236447; REF.: SCIFINDER (Spectrum in accordance with the one in Scifinder)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	782920	.	.	.	.	191.3	C7H13NOS2	80.7	164	1.8	11	0	4	6	"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3"	CS(=O)CCCCCN=C=S	IUUQPVQTAUKPPB-UHFFFAOYSA-N
DG51085	Ethylmethyloctadecylsulfonium iodide	207332	"29676-50-4; Ethylmethyloctadecylsulfonium iodide; NSC 97372; Sulfonium, ethylmethyloctadecyl-, iodide; Sulfonium, (ethylmethyl)octadecyl-, iodide; SCHEMBL2682350; NSC97372; NSC-97372; (Ethylmethyl)octadecylsulfonium iodide; WLN: 18S2&1 &I &3/9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	97372	.	.	.	.	456.6	C21H45IS	1	190	.	23	0	1	18	"InChI=1S/C21H45S.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2;/h4-21H2,1-3H3;1H/q+1;/p-1"	CCCCCCCCCCCCCCCCCC[S+](C)CC.[I-]	FWCAEZMYKRVMPH-UHFFFAOYSA-M
DG51086	"2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol"	209395	"19819-15-9; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol; NSC153330; 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; MLS000766177; 2-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one; (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl-; NSC-153330; 2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one; 5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one; 5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one; CBMicro_004985; 5,6,7,8-Tetrahydro-2-methyl-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one; Cambridge id 5118319; NCIStruc1_000658; NCIStruc2_000894; Oprea1_574831; Oprea1_703840; SCHEMBL1368527; CHEMBL1569893; DTXSID10173537; HMS2746D22; ALBB-020386; SMSF0003489; 2-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ol; CCG-37597; MFCD00454938; NCGC00014414; NCI153330; STL352461; STL357284; STL512015; ZINC18117772; AKOS000281420; AKOS000541775; AKOS022225616; CB06987; MCULE-5415706143; NSC 153330; NCGC00014414-02; NCGC00097519-01; NCI60_001082; SMR000008671; BIM-0004976.P001; AG-690/11629631; SR-01000467591; SR-01000467591-1; Z55164926; F0239-0687; Pyrimido[4,5-b]benzothien-4-ol, 5,6,7,8-tetrahydro-2-methyl-; [1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-methyl-; 2-Methyl-4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno-[2,3-d]pyrimidin-4(3H)-one; 2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one; 2-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol #; 2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ol; 5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0 , ]trideca-1(9),2(7),5-trien-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153330	.	.	.	.	220.29	C11H12N2OS	69.7	329	1.9	15	1	3	0	"InChI=1S/C11H12N2OS/c1-6-12-10(14)9-7-4-2-3-5-8(7)15-11(9)13-6/h2-5H2,1H3,(H,12,13,14)"	CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1	ULEHMWWQIZHLHN-UHFFFAOYSA-N
DG51087	(7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride	209687	"20161-55-1; Phenoxazin-5-ium, 3,7-bis(dimethylamino)-, chloride; (7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride; Ammonium, (7-(dimethylamino)-3H-phenoxazin-3-ylidene)dimethyl-, chloride; DTXSID40942218; NSC409417; NSC 409417; NSC-409417; 3,7-Bis(dimethylamino)phenoxazin-5-ium chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409417	.	.	.	.	303.78	C16H18ClN3O	27.8	483	.	21	0	4	1	"InChI=1S/C16H18N3O.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1"	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]	SIZBKKAUPNRYKZ-UHFFFAOYSA-M
DG51088	"Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt"	209827	"ET 12H; 20545-96-4; Choline, hydroxide, 3-(dodecyloxy)propyl hydrogen phosphate, inner salt; NSC 337591; BRN 5607566; rac-1-Dodecyl-2-hydride-decyl-2-methoxy-glycerophosphocholine; ES 12H; CHEMBL1996509; SCHEMBL10934463; DTXSID30174546; NSC337591; NSC-337591; D-8858; Choline,3-(dodecyloxy)propyl hydrogen phoshate, inner salt; 1-Propanol, dihydrogen phosphate,monoester with choline hydroxide, inner salt; 3,9-Trioxa-4-phosphaheneicosan-1-aminium,4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337591	.	.	.	.	409.5	C20H44NO5P	67.8	366	4.7	27	0	5	20	"InChI=1S/C20H44NO5P/c1-5-6-7-8-9-10-11-12-13-14-17-24-18-15-19-25-27(22,23)26-20-16-21(2,3)4/h5-20H2,1-4H3"	CCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C	PMGDJIDELZDRLM-UHFFFAOYSA-N
DG51089	"4-(Chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine"	210892	"21868-41-7; 4-(chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine; 4-(chloromethyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine; 4-(Chloromethyl)-6-morpholino-1,3,5-triazin-2-amine; s-Triazine, 2-amino-4-(chloromethyl)-6-morpholino-; 2-Amino-4-chloromethyl-6-morpholino-1,3,5-triazine; 2-amino-4-morpholino-6-chloromethyl-1,3,5-triazine; AF52; BRN 1217790; C8H12ClN5O; 2-Amino-4-(chloromethyl)-6-morpholino-s-triazine; CHEMBL1972887; ZINC80658; DTXSID70176266; ALBB-010207; 7436AD; MFCD01679202; NSC686790; STK508801; AKOS002671313; MCULE-1246093459; NSC-686790; LS-03461; NCI60_031296; EU-0052217; FT-0684338; A925070; AG-205/12417094; 1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-(4-morpholinyl)-; 4-(Chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine; 4-(Chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	686790	.	.	.	.	229.67	C8H12ClN5O	77.2	202	0.1	15	1	6	2	"InChI=1S/C8H12ClN5O/c9-5-6-11-7(10)13-8(12-6)14-1-3-15-4-2-14/h1-5H2,(H2,10,11,12,13)"	C1COCCN1C2=NC(=NC(=N2)N)CCl	MFAGDEITRDZSFJ-UHFFFAOYSA-N
DG51090	"Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride"	212513	"24394-55-6; NSC 139049; 9-Hydroxy-9-(2-aminoethylthio)-9,10-dihydrophenanthren-10-one hydrochloride; Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride; SCHEMBL2599487; CHEMBL1966669; 9(10H)-Phenanthrone, hydrochloride; NSC139049; NSC-139049; 9(10H)-Phenanthrone, 10-((2-aminoethyl)thio)-10-hydroxy-, hydrochloride (8CI); Phenanthren-10-one,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139049	.	.	.	.	321.8	C16H16ClNO2S	88.6	376	.	21	3	4	3	"InChI=1S/C16H15NO2S.ClH/c17-9-10-20-16(19)14-8-4-3-6-12(14)11-5-1-2-7-13(11)15(16)18;/h1-8,19H,9-10,17H2;1H"	C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl	XSJHLDOFYLYXDB-UHFFFAOYSA-N
DG51091	"Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride"	213535	"26640-60-8; Isopropylamphetamine hydrochloride; Isopropylamphetamine HCl; NSC 39688; N-Isopropyl-alpha-methylphenethylamine hydrochloride; N-Isopropyl-beta-phenylisopropylaminhydrochlorid [German]; Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride; N-Isopropyl-beta-phenylisopropylaminhydrochlorid; SCHEMBL7037524; CHEMBL2003712; NSC39688; NSC-39688; Benzeneethanamine, alpha-methyl-N-(1-methylethyl)-, hydrochloride (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39688	.	.	.	.	213.75	C12H20ClN	12	125	.	14	2	1	4	"InChI=1S/C12H19N.ClH/c1-10(2)13-11(3)9-12-7-5-4-6-8-12;/h4-8,10-11,13H,9H2,1-3H3;1H"	CC(C)NC(C)CC1=CC=CC=C1.Cl	JTEZUILSFLCPDP-UHFFFAOYSA-N
DG51092	Mitomycin C methylamine	213803	"NSC329086; Mitomycin C methylamine; 27066-44-0; CHEMBL1997532; DTXSID70936302; NSC-329086; NCI60_002865; MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS; [8a-Methoxy-5-methyl-6-(methylamino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate; 16046-18-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329086	.	.	.	.	348.35	C16H20N4O5	133	773	-0.3	25	3	8	5	"InChI=1S/C16H20N4O5/c1-6-10(18-2)13(22)9-7(5-25-15(17)23)16(24-3)14-8(19-14)4-20(16)11(9)12(6)21/h7-8,14,18-19H,4-5H2,1-3H3,(H2,17,23)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC	QMWMHVONMWSXDM-UHFFFAOYSA-N
DG51093	"6-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-ol"	215054	"NSC659269; 34844-41-2; BRN 2291020; 3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-ol; 2-Cyclohexen-1-ol, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-; 6-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexen-1-ol; 6-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl)ethyl-3,5,5-trimethyl-2-cyclohexen-1-ol; CHEMBL1981172; DTXSID10956322; NSC-659269; 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ol; NCI60_020930; 3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-ol; 6-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3,5,5-trimethyl-2-cyclohexen-1-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659269	.	.	.	.	306.24	C12H16F6O2	40.5	393	3.6	20	2	8	1	"InChI=1S/C12H16F6O2/c1-6-4-7(19)8(9(2,3)5-6)10(20,11(13,14)15)12(16,17)18/h4,7-8,19-20H,5H2,1-3H3"	CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O	MXANCGMHRZANOV-UHFFFAOYSA-N
DG51094	"1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol"	215057	"NSC659268; 1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol; 34848-21-0; BRN 1990536; 4-Chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-1-phenyl-1,3-butanediol; 1,3-Propanediol, 1,1-bis(chlorodifluoromethyl)-3-phenyl-; 1-Chloro-1,1-difluoro-2-(chlorodifluoromethyl)-4-phenyl-2,4-butanediol; CHEMBL1991101; DTXSID40956330; 4-Chloro-3-chlorodifluoromethyl-4,4-difluoro-1-phenyl-1,3-butanediol; 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenylbutane-1,3-diol; NSC-659268; NCI60_020929; 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-phenyl-butane-1,3-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	659268	.	.	.	.	321.09	C11H10Cl2F4O2	40.5	295	3.3	19	2	6	5	"InChI=1S/C11H10Cl2F4O2/c12-10(14,15)9(19,11(13,16)17)6-8(18)7-4-2-1-3-5-7/h1-5,8,18-19H,6H2"	C1=CC=C(C=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O	ZGRPQOKXVFKJQN-UHFFFAOYSA-N
DG51095	Taspine	215159	"Taspine; 602-07-3; Thaspine; UNII-V53XN9L07O; CHEMBL470867; V53XN9L07O; 1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione; 5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione; NSC76022; NSC-76022; NSC618155; SCHEMBL22452213; DTXSID60975624; ZINC1702514; BDBM50241808; NSC688259; NSC-688259; 1-(2-(Dimethylamino)ethyl)-3,8-dimethoxychromeno(5,4,3-cde)chromene-5,10-dione hydrochloride; 2-dimethylaminoethyl(dimethoxy)[ ]dione; NCI60_031857; NCI60_041671; FT-0674816; Q5486808; {1-(2-dimethylaminoethyl)-3,8-dimethoxychromeno[5,4,3-cde]chromene-5,10-dione}; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-; 1-[2-(Dimethylamino)ethyl]-3,8-dimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	688259	.	.	.	.	369.4	C20H19NO6	74.3	595	2.8	27	0	7	5	"InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3"	CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC	MTAWKURMWOXCEO-UHFFFAOYSA-N
DG51096	2-(alpha-Ethyl-2-thenylamino)-2-oxazoline	215268	"NSC664304; 35349-02-1; n-[1-(thiophen-2-yl)propyl]-4,5-dihydro-1,3-oxazol-2-amine; 2-(alpha-Ethyl-2-thenylamino)-2-oxazoline; 2-Thenylamine, alpha-ethyl-N-(2-oxazolin-2-yl)-; 2-Oxazolamine, 4,5-dihydro-N-[1-(2-thienyl)propyl]-; CHEMBL1967494; Propylamine, N-(2-oxazolin-2-yl)-alpha-(2-thienyl)-; DTXSID60956776; NSC-664304; NCI60_022178; N-(alpha-Ethyl-2-thenyl)-2-oxazolin-2-amine; N-[1-(2-thienyl)propyl]-4,5-dihydrooxazol-2-amine; N-(1-(2-Thienyl)propyl)-4,5-dihydro-1,3-oxazol-2-amine; N-(4,5-Dihydro-1,3-oxazol-2-yl)-N-(1-(2-thienyl)propyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	664304	.	.	.	.	210.3	C10H14N2OS	61.9	220	1.8	14	1	3	4	"InChI=1S/C10H14N2OS/c1-2-8(9-4-3-7-14-9)12-10-11-5-6-13-10/h3-4,7-8H,2,5-6H2,1H3,(H,11,12)"	CCC(C1=CC=CS1)NC2=NCCO2	ANMFSKZAOMFWOH-UHFFFAOYSA-N
DG51097	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride"	215727	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride; 36134-83-5; p-Phenylenediamine, N-bis(2-chloroethyl)-, hydrochloride; 1,4-Benzenediamine, N,N-bis(2-chloroethyl)-, hydrochloride; CHEMBL543027; SCHEMBL3838748; DTXSID30189711; NSC44303; NSC-44303; 945-68-6; N,N-bis(2-chloroethyl)-p-phenylenediamine hydrochloride; p-Phenylenediamine,N-bis(2-chloroethyl)-, hydrochloride; 4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44303	.	.	.	.	269.6	C10H15Cl3N2	29.3	141	.	15	2	2	5	"InChI=1S/C10H14Cl2N2.ClH/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10;/h1-4H,5-8,13H2;1H"	C1=CC(=CC=C1N)N(CCCl)CCCl.Cl	SNFZPEZEZZWYMP-UHFFFAOYSA-N
DG51098	"N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)ethane-1,2-diamine"	217470	"NSC628114; 9-N(N'-chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxyacridine dihydrochloride; Neuro_000264; CHEMBL1188172; N'-(2-chloroethyl)-N'-ethyl-N-(2-methoxyacridin-9-yl)ethane-1,2-diamine; NCI60_009026; N-(2-Chloroethyl)-N-ethyl-N'-(2-methoxy-9-acridinyl)-1,2-ethanediamine; N~1~-(2-Chloroethyl)-N~1~-ethyl-N~2~-(2-methoxy-9-acridinyl)-1,2-ethanediamine hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	628114	.	.	.	.	357.9	C20H24ClN3O	37.4	397	4.5	25	1	4	8	"InChI=1S/C20H24ClN3O/c1-3-24(12-10-21)13-11-22-20-16-6-4-5-7-18(16)23-19-9-8-15(25-2)14-17(19)20/h4-9,14H,3,10-13H2,1-2H3,(H,22,23)"	CCN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl	VKACZVZTIKPEBG-UHFFFAOYSA-N
DG51099	4-Amino-3-pentadecylphenol	219123	4-AMINO-3-PENTADECYLPHENOL; 3158-55-2; NSC17; 3-Pentadecyl-4-aminophenol; NSC-17; SCHEMBL10067858; DTXSID60276926; ZINC60296350	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17	.	.	.	.	319.5	C21H37NO	46.2	256	8.7	23	2	2	14	"InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20(23)16-17-21(19)22/h16-18,23H,2-15,22H2,1H3"	CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)N	JEAQATRYHARRAU-UHFFFAOYSA-N
DG51100	"Propiophenone, 3-phenyl-3-piperidino-"	219163	"PROPIOPHENONE, 3-PHENYL-3-PIPERIDINO-; 5350-97-0; 1,3-diphenyl-3-piperidin-1-ylpropan-1-one; 1,3-diphenyl-3-(piperidin-1-yl)propan-1-one; NSC35446; NSC87; NSC-35446; NSC-87; CHEMBL1982140; SCHEMBL15684679; DTXSID30276953; STK553385; 1-piperidino-1-phenyl-2-benzoylethane; AKOS005481652; beta-Phenyl-beta-piperidinopropiophenone; MCULE-3432374599; 3-PIPERIDINO-3-PHENYLPROPIOPHENONE; NCI60_003184; DS-012331; 1,3-Diphenyl-3-(1-piperidinyl)-1-propanone; 1,3-Diphenyl-3-(1-piperidinyl)-1-propanone #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35446	.	.	.	.	293.4	C20H23NO	20.3	336	4	22	0	2	5	"InChI=1S/C20H23NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,19H,3,8-9,14-16H2"	C1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3	CVVZGKZBSZURJO-UHFFFAOYSA-N
DG51101	"2-Bromo-4-methyl-1,3,5-trinitrobenzene"	219376	"2-bromo-4-methyl-1,3,5-trinitrobenzene; MLS002637525; 5333-09-5; NSC596; CHEMBL1712947; DTXSID70277060; NSC-596; HMS3094P15; 3-BROMO-2,6-TRINITROTOLUENE; STL371281; ZINC66114644; AKOS016344914; MCULE-7941677732; 3-BROMO-2,4,6-TRINITROTOLUENE; SMR001547061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	596	.	.	.	.	306.03	C7H4BrN3O6	138	347	2.5	17	0	6	0	"InChI=1S/C7H4BrN3O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,1H3"	CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]	IKHFDQSVNNIGEN-UHFFFAOYSA-N
DG51102	Bis[3-amino-4-(dimethylamino)phenyl]methanone	219490	"bis[3-amino-4-(dimethylamino)phenyl]methanone; 5340-23-8; bis(3-amino-4-dimethylamino-phenyl)methanone; MLS000079753; SMR000038195; NSC885; Oprea1_168693; SCHEMBL864926; cid_219490; CHEMBL1417628; BDBM58950; DTXSID30277107; NSC-885; HMS2280H04; ZINC235389; NSC753542; STK529024; AKOS003606975; MCULE-3333329554; NSC-753542; 3,4'-BIS(DIMETHYLAMINO)BENZOPHENONE; bis-(3-amino-4-dimethylamino-phenyl)-methanone; bis[3-azanyl-4-(dimethylamino)phenyl]methanone; 3,3'-Diamino-4,4'-bis-dimethylamino-benzophenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	885	.	.	.	.	298.4	C17H22N4O	75.6	351	2.1	22	2	5	4	"InChI=1S/C17H22N4O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,18-19H2,1-4H3"	CN(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N)N	OSABJXFEGLRNTG-UHFFFAOYSA-N
DG51103	8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline	219563	MLS002637543; NSC-1010; 5335-96-6; CHEMBL1688556; 7-[.ALPHA.-(P-NITROANILINO)BENZYL]-8-QUINOLINOL; 7-(((4-Nitrophenyl)amino)(phenyl)methyl)quinolin-8-ol; 7-{[(4-nitrophenyl)amino](phenyl)methyl}quinolin-8-ol; NSC1010; 8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline; CBChromo1_000199; Oprea1_346320; CBDivE_008933; SCHEMBL1702435; DTXSID50277169; HMS3078I11; 7-((4-NITRO-PHENYLAMINO)-PHENYL-METHYL)-QUINOLIN-8-OL; BDBM50561142; STK857986; AKOS002528613; MCULE-7733291846; SMR001547078; 7-((4-nitro-anilino)(phenyl)methyl)-8-quinolinol; 7-[(4-Nitroanilino)(phenyl)methyl]-8-quinolinol #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1010	.	.	.	.	371.4	C22H17N3O3	91	512	4.8	28	2	5	4	"InChI=1S/C22H17N3O3/c26-22-19(13-8-16-7-4-14-23-21(16)22)20(15-5-2-1-3-6-15)24-17-9-11-18(12-10-17)25(27)28/h1-14,20,24,26H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)[N+](=O)[O-]	NIPBFFNWSFCRBD-UHFFFAOYSA-N
DG51104	4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid	219564	5335-97-7; NSC1011; 4-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid; 4-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoic acid; CHEMBL1979298; compound 3 [PMID: 17942791]; 4-(((8-Hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoic acid; NSC-1011; GTPL8556; SCHEMBL23359134; DTXSID60277170; 4-[[(8-hydroxyquinolin-7-yl)-phenyl-methyl]amino]benzoic acid; BDBM50500101; SB72128; NCI60_000032; DB-122808; J3.527.038H; A935198; Q27076628; 4-(((8-hydroxy-7-quinolinyl)(phenyl)methyl)amino)benzoic acid; 4-[[alpha-(8-Hydroxy-7-quinolinyl)benzyl]amino]benzoic acid; P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1011	.	.	.	.	370.4	C23H18N2O3	82.4	514	4.5	28	3	5	5	"InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O	PSCFZETTYRDCRM-UHFFFAOYSA-N
DG51105	7-(alpha-Anilino-P-nitrobenzyl)-8-quinolinol	219565	NSC1013; CHEMBL2006267; NSC-1013; BDBM50500093; NCI60_000036; 7-(.ALPHA.-ANILINO-P-NITROBENZYL)-8-QUINOLINOL; 7-(anilino(4-(hydroxy(oxido)amino)phenyl)methyl)-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1013	.	.	.	.	371.4	C22H17N3O3	91	512	4.8	28	2	5	4	"InChI=1S/C22H17N3O3/c26-22-19(13-10-15-5-4-14-23-21(15)22)20(24-17-6-2-1-3-7-17)16-8-11-18(12-9-16)25(27)28/h1-14,20,24,26H"	C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O	IEHZRRMDWJJZBT-UHFFFAOYSA-N
DG51106	7-[alpha-[(4-Methyl-2-pyridyl)amino]benzyl]-8-quinolinol	219566	NSC1014; MLS002637544; 5335-98-8; CHEMBL1700391; 7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL; DTXSID20277171; HMS3078G09; NSC-1014; BDBM50561132; AKOS002331705; MCULE-9011894539; SMR001547079; 7-(((4-Methylpyridin-2-yl)amino)(phenyl)methyl)quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1014	.	.	.	.	341.4	C22H19N3O	58	439	4.6	26	2	4	4	"InChI=1S/C22H19N3O/c1-15-11-13-23-19(14-15)25-20(16-6-3-2-4-7-16)18-10-9-17-8-5-12-24-21(17)22(18)26/h2-14,20,26H,1H3,(H,23,25)"	CC1=CC(=NC=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O	PKUYZMYEHWGCMG-UHFFFAOYSA-N
DG51107	"1,1,3-Tribromo-3-methyl-2-butanone"	219573	"1,1,3-Tribromo-3-methyl-2-butanone; NSC1027; 1578-05-8; NSC 1027; NCIMech_000680; CHEMBL1970620; DTXSID40166316; NSC-1027; ZINC1587780; 1,3-Tribromo-3-methyl-2-butanone; CCG-35803; 2-Butanone,1,3-tribromo-3-methyl-; 1,1,3-tribromo-3-methyl-butan-2-one; NCI60_000073"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1027	.	.	.	.	322.82	C5H7Br3O	17.1	119	3	9	0	1	2	"InChI=1S/C5H7Br3O/c1-5(2,8)3(9)4(6)7/h4H,1-2H3"	CC(C)(C(=O)C(Br)Br)Br	HEYKFXBVIXZIFB-UHFFFAOYSA-N
DG51108	6-Chloro-2-methoxy-9-[(5-piperidinopentyl)amino]acridine	219600	NSC1063; NSC-1063; ZINC4353145; 6-CHLORO-2-METHOXY-9-[(5-PIPERIDINOPENTYL)AMINO]ACRIDINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1063	.	.	.	.	412	C24H30ClN3O	37.4	487	6.1	29	1	4	8	"InChI=1S/C24H30ClN3O/c1-29-19-9-11-22-21(17-19)24(20-10-8-18(25)16-23(20)27-22)26-12-4-2-5-13-28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,27)"	COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN4CCCCC4	MRDUIMWRCOBGBZ-UHFFFAOYSA-N
DG51109	"2-methyl-1-{[(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-2-amine"	219648	"NSC1199; NSC-1199; 5396-21-4; CHEMBL1742272; DTXSID10968768; NCGC00013006; NCGC00013006-02; NCGC00096133-01; NCI60_000470; 2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE; 2-Methyl-1-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propan-2-amine; 2-methyl-1-{[(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1199	.	.	.	.	225.37	C14H27NO	35.2	285	2.9	16	1	2	3	"InChI=1S/C14H27NO/c1-12(2,15)9-16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11+,14-/m1/s1"	C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OCC(C)(C)N	ZTZRQPXJOXZJCX-UHIISALHSA-N
DG51110	N-Decyl-2-iodoacetamide	219690	5348-78-7; N-DECYL-2-IODOACETAMIDE; NSC1338; N-decyliodoacetamide; N-Decyl-2-iodoethanimidic acid; DTXSID30968200; NSC-1338; ZINC1576770	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1338	.	.	.	.	325.23	C12H24INO	29.1	151	4.7	15	1	1	10	"InChI=1S/C12H24INO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)"	CCCCCCCCCCNC(=O)CI	YSZAILKODPQVOU-UHFFFAOYSA-N
DG51111	"N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	219760	"N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine; MLS000108084; 68380-52-9; SMR000104047; NSC1433; CBMicro_029079; Cambridge id 5715590; N-butyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine; cid_219760; CHEMBL1409043; REGID_for_CID_219760; BDBM49325; DTXSID80987926; HMS2182N07; 4-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE; NSC-1433; ZINC1576826; STK874060; AKOS005167080; MCULE-6233902015; BIM-0029001.P001; N-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine; butyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine; N-butyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine; N-Butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1433	.	.	.	.	267.33	C15H17N5	55.6	292	3.4	20	1	4	5	"InChI=1S/C15H17N5/c1-2-3-9-16-14-13-10-19-20(15(13)18-11-17-14)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,16,17,18)"	CCCCNC1=C2C=NN(C2=NC=N1)C3=CC=CC=C3	GINHYDUSSMVIEH-UHFFFAOYSA-N
DG51112	2-(2-Methyl-2-nitropropoxy)bornane	219796	NSC1482; NSC-1482; CHEMBL1410543; NSC68002; NCGC00013009; NSC-68002; NCGC00013009-02; NCGC00096136-01; NCI60_001015; 2-(2-METHYL-2-NITROPROPOXY)BORNANE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1482	.	.	.	.	255.35	C14H25NO3	55	359	3.6	18	0	3	3	"InChI=1S/C14H25NO3/c1-12(2,15(16)17)9-18-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,6-9H2,1-5H3/t10-,11+,14-/m1/s1"	C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OCC(C)(C)[N+](=O)[O-]	BJPQXEZVCKJQEG-UHIISALHSA-N
DG51113	"2-Chloro-3-phenoxy-1,4-naphthoquinone"	219799	"2-CHLORO-3-PHENOXY-1,4-NAPHTHOQUINONE; 71369-17-0; 2-chloro-3-phenoxynaphthalene-1,4-dione; MLS002637574; SMR001547105; 2-chloro-3-phenoxy-naphthalene-1,4-dione; 2-chloro-3-phenoxynaphthoquinone; NSC1507; Cyto4E11; cid_219799; CHEMBL1699845; BDBM80746; DTXSID40277294; HMS3082G16; ZINC161603; NSC-1507; 2-chloro-3-phenoxy1,4-naphthoquinone; MCULE-8562644897; DS-013112; 2-chloranyl-3-phenoxy-naphthalene-1,4-dione; AE-406/41055862; SR-01000880942; SR-01000880942-2; BRD-K97303563-001-04-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1507	.	.	.	.	284.69	C16H9ClO3	43.4	449	4	20	0	3	2	InChI=1S/C16H9ClO3/c17-13-14(18)11-8-4-5-9-12(11)15(19)16(13)20-10-6-2-1-3-7-10/h1-9H	C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)Cl	QPTXRNYONDDBEL-UHFFFAOYSA-N
DG51114	"3-Phenanthrenepropionic acid, hydrazide"	219939	"NSC1760; 5345-87-9; NSC-1760; NCIStruc1_000108; NCIStruc2_000238; CHEMBL1332504; DTXSID70277343; NCI1760; 3-(3-phenanthryl)propanohydrazide; ZINC1577016; CCG-37778; NCGC00013013; NCGC00013013-02; NCGC00096140-01; NCI60_001447; 3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	1760	.	.	.	.	264.32	C17H16N2O	55.1	344	3.2	20	2	2	3	"InChI=1S/C17H16N2O/c18-19-17(20)10-6-12-5-7-14-9-8-13-3-1-2-4-15(13)16(14)11-12/h1-5,7-9,11H,6,10,18H2,(H,19,20)"	C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN	DWPVXPWVRGYTRD-UHFFFAOYSA-N
DG51115	Tribiphenyl-4-ylmethanol	219999	tribiphenyl-4-ylmethanol; tris(4-phenylphenyl)methanol; 5341-14-0; TRIS-BIPHENYL-4-YL-METHANOL; NSC2053; Tri(biphenyl-4-yl)methanol; CHEMBL1981549; DTXSID80277379; TRIS(4-BIPHENYLYL)METHANOL; NSC-2053; ZINC4403392; AKOS024399206; MCULE-6072724584; NCI60_001727	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2053	.	.	.	.	488.6	C37H28O	20.2	578	8.6	38	1	1	6	"InChI=1S/C37H28O/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27,38H"	C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O	FURWFDHTIUIMDC-UHFFFAOYSA-N
DG51116	"2-(2,5-Dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol"	220284	"NSC2805; 4371-34-0; NSC-2805; MLS000736491; 4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol; 2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol; SMR000528041; 4,4'-Dimethyl-[1,1'-biphenyl]-2,2',5,5'-tetraol;; NCIStruc1_000270; NCIStruc2_000160; cid_220284; SCHEMBL8738069; CHEMBL1527565; BDBM80025; DTXSID30277546; NCI2805; HMS2820E17; BCP29786; ZINC1641160; CCG-38084; NCGC00013025; NSC 2805; NSC-2805; NCGC00013025-02; NCGC00096152-01; NCI60_002280; 2,5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl; 2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-hydroquinone; 2-methyl-5-[4-methyl-2,5-bis(oxidanyl)phenyl]benzene-1,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	2805	.	.	.	.	246.26	C14H14O4	80.9	255	2.9	18	4	4	1	"InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3"	CC1=CC(=C(C=C1O)C2=C(C=C(C(=C2)O)C)O)O	DSVRCBOSZSZMRX-UHFFFAOYSA-N
DG51117	"4-N-(7-chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine"	220625	NSC3618; CHEMBL425653; NSC-3618; ZINC28706435	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3618	.	.	.	.	357.9	C21H28ClN3	37	404	5.6	25	2	3	4	"InChI=1S/C21H28ClN3/c22-15-6-11-19-20(12-13-23-21(19)14-15)25-18-9-7-17(8-10-18)24-16-4-2-1-3-5-16/h6,11-14,16-18,24H,1-5,7-10H2,(H,23,25)"	C1CCC(CC1)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl	FTQCIXDQYNLVGY-UHFFFAOYSA-N
DG51118	1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one	220712	NSC3847; NSC-3847; ZINC1672880	.	.	Investigative Drug(s)	Investigative	Small molecular drug	3847	.	.	.	.	264.1	C7H6BrNO3S	91.1	230	2.9	13	0	4	2	"InChI=1S/C7H6BrNO3S/c1-2-5(10)6-3-4(9(11)12)7(8)13-6/h3H,2H2,1H3"	CCC(=O)C1=CC(=C(S1)Br)[N+](=O)[O-]	JDEVKENZHCONKI-UHFFFAOYSA-N
DG51119	"10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid"	220774	"NSC167406; .beta.-Ursolic acid; Urs-12-en-28-oic acid, 3.beta.-hydroxy-; 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; Bungeolic acid; Urs-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; Urs-12-en-28-oic acid, (3.beta.)-; NSC4060; NSC 4060; MFCD00009621; Urs-12-en-28-oic acid, 3-hydroxy-; CHEMBL1979720; SCHEMBL13395361; CHEBI:95136; MCULE-6367656540; URSOLIC ACID B633868K036; SMP2_000329; 3.beta.-Hydroxyurs-12-en-28-oic acid; LS-15293; NCI60_001324; NCI60_003846; SY036316; Q27166922"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167406	.	.	.	.	456.7	C30H48O3	57.5	874	7.3	33	2	3	1	"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)"	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O	WCGUUGGRBIKTOS-UHFFFAOYSA-N
DG51120	"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid"	220828	NSC4232; CHEMBL1978930; NSC-4232; 5397-56-8; NCI60_003963	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4232	.	.	.	.	331.4	C21H17NO3	66.4	452	4.5	25	2	4	6	"InChI=1S/C21H17NO3/c23-20(16-10-5-2-6-11-16)19(15-8-3-1-4-9-15)22-18-13-7-12-17(14-18)21(24)25/h1-14,19,22H,(H,24,25)"	C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O	GHTGNYOWLDGOGS-UHFFFAOYSA-N
DG51121	Strophanthin	220861	"STROPHANTHIN; .beta.-k-Strophanthin; K-Strophanthin-.beta.; Strophanthin K (crystalline); NSC4320; .beta.-Strophanthobioside, strophanthidin-3; Strophanthidin-glucocymarosid; 3-[(2,6-Dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide; NSC 4320; NSC-4320; 5.beta.-Card-20(22)-enolide,6-dideoxy-4-o-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-; Card-20(22)-enolide,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-; STROPHANTHIN-K, BETA; DTXSID00971387; NSC7670; NSC-7670; NCI60_004001; DB-050180; 3-[(2,6-Dideoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide #; 5.beta.-Card-20(22)-enolide, 3.beta.-((2,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-; Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4320	.	.	.	.	710.8	C36H54O14	211	1330	-0.8	50	6	14	8	"InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3"	CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O	FHIREUBIEIPPMC-UHFFFAOYSA-N
DG51122	3-(Benzenesulfonyl)-2-iodopropanenitrile	220946	NSC4512; NSC-4512	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4512	.	.	.	.	321.14	C9H8INO2S	66.3	319	1.6	14	0	3	3	"InChI=1S/C9H8INO2S/c10-8(6-11)7-14(12,13)9-4-2-1-3-5-9/h1-5,8H,7H2"	C1=CC=C(C=C1)S(=O)(=O)CC(C#N)I	HBXWJJCIVNSECK-UHFFFAOYSA-N
DG51123	Bis(4-amino-3-bromophenyl)methanone	220951	bis(4-amino-3-bromophenyl)methanone; 5398-61-8; NSC4518; SCHEMBL1376911; DTXSID60277852; NSC-4518; ZINC4365596	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4518	.	.	.	.	370.04	C13H10Br2N2O	69.1	285	3.3	18	2	3	2	"InChI=1S/C13H10Br2N2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6H,16-17H2"	C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N	DGQOTSSECYSWIZ-UHFFFAOYSA-N
DG51124	"2-phenyl-1H-imidazole-4,5-dicarboxylic acid"	221007	"2-phenyl-1H-imidazole-4,5-dicarboxylic acid; NSC4623; 888-60-8; CHEMBL1230276; 1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl-; NSC-4623; 2-phenylimidazole-4,5-dicarboxylic acid; Oprea1_190184; CBDivE_003252; 1H-Imidazole-4, 2-phenyl-; SCHEMBL7829389; DTXSID50277886; NCI4623; ZINC189552; BDBM50329852; CCG-38033; NCGC00013047; AKOS005145199; NCGC00013047-02; NCGC00013047-03; NCGC00096173-01; NCI60_004091; Q27454667; 3137-17-5; 4F8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4623	.	.	.	.	232.19	C11H8N2O4	103	315	1.4	17	3	5	3	"InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)"	C1=CC=C(C=C1)C2=NC(=C(N2)C(=O)O)C(=O)O	GTYWKHXMYZVFSU-UHFFFAOYSA-N
DG51125	"2,3,4-Trihydroxy-5-[3-(hydroxymethyl)-9,10-dioxoanthracen-1-yl]oxypentanal"	221037	NSC4722; CHEMBL1968574; NSC-4722; NCI60_004113	.	.	Investigative Drug(s)	Investigative	Small molecular drug	4722	.	.	.	.	386.4	C20H18O8	141	593	-0.4	28	4	8	7	"InChI=1S/C20H18O8/c21-7-10-5-13-17(19(26)12-4-2-1-3-11(12)18(13)25)16(6-10)28-9-15(24)20(27)14(23)8-22/h1-6,8,14-15,20-21,23-24,27H,7,9H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)CO)OCC(C(C(C=O)O)O)O	UYKVHRDZCLQKBM-UHFFFAOYSA-N
DG51126	"1,3-Bis[(7-chloroquinolin-4-yl)amino]propan-2-ol"	221231	"NSC-5485; 6285-24-1; 1,3-bis[(7-chloroquinolin-4-yl)amino]propan-2-ol; NSC5485; CHEMBL1098340; DTXSID10277983; ZINC1686975; 1,3-bis(7-chloroquinolin-4-ylamino)propan-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5485	.	.	.	.	413.3	C21H18Cl2N4O	70.1	457	4.8	28	3	5	6	"InChI=1S/C21H18Cl2N4O/c22-13-1-3-16-18(5-7-24-20(16)9-13)26-11-15(28)12-27-19-6-8-25-21-10-14(23)2-4-17(19)21/h1-10,15,28H,11-12H2,(H,24,26)(H,25,27)"	C1=CC2=C(C=CN=C2C=C1Cl)NCC(CNC3=C4C=CC(=CC4=NC=C3)Cl)O	ALJKMVZFTOFZCQ-UHFFFAOYSA-N
DG51127	"2-[8-(Carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid"	221258	"NSC5620; MLS002637821; 6289-18-5; NSC-5620; NCIStruc1_000074; NCIStruc2_000308; CHEMBL1573554; DTXSID80277995; NCI5620; HMS3078O09; ZINC1687058; CCG-37734; NCGC00013060; NCGC00013060-02; NCGC00096184-01; NCI60_004370; SMR001547333; 2-[8-(carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5620	.	.	.	.	281.29	C12H11NO5S	129	395	0.9	19	3	7	4	"InChI=1S/C12H11NO5S/c14-9(15)5-12(6-10(16)17)11(18)19-8-4-2-1-3-7(8)13-12/h1-4,13H,5-6H2,(H,14,15)(H,16,17)"	C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O	COFQTUDFOWNJKX-UHFFFAOYSA-N
DG51128	"5-(3,4,5-Trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline"	221307	"MLS002637833; 6289-71-0; NSC5703; 5-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline; CHEMBL1882588; SCHEMBL21951882; DTXSID00278020; HMS3078O15; NSC-5703; ZINC1687150; SMR001547345"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5703	.	.	.	.	339.3	C19H17NO5	59	436	3.5	25	0	6	4	"InChI=1S/C19H17NO5/c1-21-16-7-12(8-17(22-2)19(16)23-3)18-13-9-15-14(24-10-25-15)6-11(13)4-5-20-18/h4-9H,10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=CC4=C(C=C32)OCO4	BRORELUZNXUCNK-UHFFFAOYSA-N
DG51129	"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate"	221309	NSC5705; 6289-72-1; DTXSID20278022; NSC-5705; ZINC1687152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5705	.	.	.	.	412.4	C22H20O8	92.7	586	4	30	1	8	6	"InChI=1S/C22H20O8/c1-25-18-5-11(6-19(26-2)21(18)27-3)20-13-9-17-16(29-10-30-17)8-12(13)15(23)7-14(20)22(24)28-4/h5-9,23H,10H2,1-4H3"	COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC	JCWRRVYWBMQVMH-UHFFFAOYSA-N
DG51130	"9-(6-Methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine"	221375	"NSC5908; 5461-47-2; 9-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine; DTXSID40278049; NSC-5908; ZINC4365730"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5908	.	.	.	.	340.4	C23H20N2O	25.4	461	5.6	26	0	3	2	"InChI=1S/C23H20N2O/c1-26-17-12-13-22-16(15-17)7-6-14-25(22)23-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)23/h2-5,8-13,15H,6-7,14H2,1H3"	COC1=CC2=C(C=C1)N(CCC2)C3=C4C=CC=CC4=NC5=CC=CC=C53	UHMXXWDGLRSYLJ-UHFFFAOYSA-N
DG51131	"6-Methylanthracene-1,2,8-triol"	221502	NSC6152; NSC-112922; CHEMBL1939839; NSC-6152; ZINC1693303; NSC112922; NCI60_004975	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6152	.	.	.	.	240.25	C15H12O3	60.7	306	3.7	18	3	3	0	"InChI=1S/C15H12O3/c1-8-4-10-6-9-2-3-13(16)15(18)12(9)7-11(10)14(17)5-8/h2-7,16-18H,1H3"	CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O	CBEBNXQBODNTIB-UHFFFAOYSA-N
DG51132	"3,6-Dibromo-1-nitro-9H-carbazole"	221765	"3,6-Dibromo-1-nitro-9H-carbazole; 5416-22-8; 3,6-Dibromo-1-nitrocarbazole; NSC6777; Oprea1_176200; Oprea1_273277; SCHEMBL9630294; 3,6-dibromo-1-nitrocarba-zole; DTXSID50278252; ZINC753150; ALBB-024793; NSC-6777; MFCD00806880; STK162160; AKOS000666696; 3,6-Dibromo-1-nitro-9H-carbazole #; 9H-Carbazole, 3,6-dibromo-1-nitro-; MCULE-7374646297; LS-08212; CS-0319865; A917973"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6777	.	.	.	.	370	C12H6Br2N2O2	61.6	350	4.6	18	1	2	0	"InChI=1S/C12H6Br2N2O2/c13-6-1-2-10-8(3-6)9-4-7(14)5-11(16(17)18)12(9)15-10/h1-5,15H"	C1=CC2=C(C=C1Br)C3=C(N2)C(=CC(=C3)Br)[N+](=O)[O-]	XRMUUSATUCOGCF-UHFFFAOYSA-N
DG51133	"2,4-Dinitro-3'-nitrodiphenyl ether"	221812	"2,4-Dinitro-3'-nitrodiphenyl ether; 2,4-Dinitro-1-(3-nitrophenoxy)benzene; 2548-97-2; UNII-72I9A2I712; 72I9A2I712; Benzene,2,4-dinitro-1-(3-nitrophenoxy)-; SCHEMBL10362242; CHEBI:79799; DTXSID90180163; NSC6883; NSC 6883; NSC-6883; ZINC30729163; 1-(m-nitrophenoxy)-2,4-dinitrobenzene; DS-006777; Q27148935"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6883	.	.	.	.	305.2	C12H7N3O7	147	442	2.9	22	0	7	2	InChI=1S/C12H7N3O7/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H	C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	SFBYLUNXRRSEEP-UHFFFAOYSA-N
DG51134	"N-(4-bromophenyl)-3,4-dichlorobenzamide"	221819	"NSC6891; N-(4-bromophenyl)-3,4-dichlorobenzamide; NSC-6891; ZINC1867062; AKOS003871377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	6891	.	.	.	.	345	C13H8BrCl2NO	29.1	295	5.1	18	1	1	2	"InChI=1S/C13H8BrCl2NO/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)"	C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)Br	PLQRPDVJMCICKR-UHFFFAOYSA-N
DG51135	NSC7233	222032	"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione; CHEMBL135934; 76415-41-3; NSC7233; SCHEMBL14206501; DTXSID80278422; NSC-7233; ZINC4410898; BDBM50107127; 3,12-dibromo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7233	.	.	.	.	614.3	C34H14Br2O2	34.1	946	9.4	38	0	2	0	InChI=1S/C34H14Br2O2/c35-15-1-3-17-19-5-7-21-22-8-6-20-18-4-2-16(36)14-28(18)34(38)26-12-10-24(30(22)32(20)26)23-9-11-25(31(19)29(21)23)33(37)27(17)13-15/h1-14H	C1=CC2=C(C=C1Br)C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)Br	YAWQJGMFKCTSSJ-UHFFFAOYSA-N
DG51136	5-Bromo-3-cyclohexyl-2-hydroxybenzamide	222105	MLS000736571; 6284-50-0; 5-bromo-3-cyclohexyl-2-hydroxybenzamide; NSC7420; CHEMBL1580132; SCHEMBL14058732; DTXSID10278450; HMS2856D14; NSC-7420; ZINC1683531; SMR000528068	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7420	.	.	.	.	298.18	C13H16BrNO2	63.3	279	4.9	17	2	2	2	"InChI=1S/C13H16BrNO2/c14-9-6-10(8-4-2-1-3-5-8)12(16)11(7-9)13(15)17/h6-8,16H,1-5H2,(H2,15,17)"	C1CCC(CC1)C2=C(C(=CC(=C2)Br)C(=O)N)O	UNSUXNUUERMPHL-UHFFFAOYSA-N
DG51137	4-amino-N-(4-tert-butylphenyl)benzenesulfonamide	222114	NSC7436; MLS000736572; NSC-7436; NCIStruc1_001050; NCIStruc2_000879; 4-amino-N-(4-tert-butylphenyl)benzenesulfonamide; CHEMBL1490904; SCHEMBL15740331; NCI7436; HMS2856B20; ZINC1683553; CCG-36752; NCGC00013079; AKOS009151291; NCGC00013079-02; NCGC00096203-01; NCI60_041624; SMR000528069	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7436	.	.	.	.	304.4	C16H20N2O2S	80.6	420	3.4	21	2	4	4	"InChI=1S/C16H20N2O2S/c1-16(2,3)12-4-8-14(9-5-12)18-21(19,20)15-10-6-13(17)7-11-15/h4-11,18H,17H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N	QBRHVORBTKVOQZ-UHFFFAOYSA-N
DG51138	Proscillaridin A	222154	"Proscillaridin A; Proscillaridin-A; Caradrin; Caradrine; NSC7521; Cardiovite; Proscillan; Proscillaridine; Proslladin; Sandoscill; Scillacrist; Cardion; Carmazon; Coratol; Procardin; Procilan; Prostosin; Proszin; Protasin; Solestril; Stellarid; Talusin; Tradenal; Urgilan; Wirnesin; Simeon; 466-06-8; Herzo proscillan; Purosin-TC; 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Transvaalin, degluco-; PSC-801; Desglucotransvaaline; A-32686; Scillarenin 3.beta.-rhamnoside; NSC-7521; Scillarenin, 3.alpha.-L-rhamnopyranoside; Rhamnopyranoside, .alpha.-L-; SCHEMBL1649544; CHEMBL1977418; HBL0000188; NCI60_041645; P8334; 14-Hydroxy-3.beta.-(rhamnosyloxy)bufa-4,22-trienolide; Desgluco-transvaalin3.beta.,20,22-trienolide 3-rhamnoside; (3Beta)-3-[(6-deoxyhexopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide; [(6-Deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxybufa-4,22-trienolide; 3.beta.-Rhamnosido-14.beta.-hydroxy-.delta.(sup 4,22)-bufatrienolide; WLN: L E5 B666 MUTJ A1 E1 IQ F- ET6OVJ& O- BT6OTJ CQ DQ EQ F1; Bufa-4,22-trienolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-; Bufa-4,22-trienolide, 3.beta.-[(16-deoxy-.alpha.-L-mannosyl)oxy]-14-hydroxy-; Bufa-4,22-trienolide, 3.beta.-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-; 5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7521	.	.	.	.	530.6	C30H42O8	126	1070	1.9	38	4	8	3	"InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16 ,19-,20+,21-,22+,24 ,25 ,26 ,27 ,28-,29+,30-/m0/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O	MYEJFUXQJGHEQK-OWBILYANSA-N
DG51139	NSC7525	222156	"5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; NSC7525; 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; CHEMBL1988384; DTXSID00924676; NSC-7525; NCI60_041648; .alpha.-L-Mannopyranoside, scillarenin-3 6-deoxy-4-O- .beta.-D-glucopyranosyl-; 3-[(6-Deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide; 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Bufa-4,20,22-trienolide, 3-[(6-deoxy-3-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxy-, (3b)-; Bufa-4,22-trienolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7525	.	.	.	.	692.8	C36H52O13	205	1370	0.3	49	7	13	6	"InChI=1S/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17 ,20-,21+,22-,23+,24 ,26 ,27 ,28 ,29 ,30 ,31 ,32 ,33 ,34-,35+,36-/m0/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O	SANIPSLLLIEJOB-NCQVURFFSA-N
DG51140	NSC7530	222159	"5,14-dihydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; 5,14-dihydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; STROPHANTHOSIDE-K; NSC7530; 3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-o-methylhexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide; DTXSID60954919; NCI60_041650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7530	.	.	.	.	872.9	C42H64O19	290	1630	-2.9	61	9	19	11	"InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3"	CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O	GILGYKHFZXQALF-UHFFFAOYSA-N
DG51141	"Scillirosidin, glycoside"	222160	"SCILLIROSIDIN, GLYCOSIDE; NSC7534; Scillirosidin glycoside; 6-(Acetyloxy)-3,8,14-trihydroxybufa-4,20,22-trienolide; Neuro_000007; CHEMBL2007406; DTXSID50964941; NSC-7534; NCI60_041652; 6-(Acetyloxy)-3,8,14-trihydroxybufa-4,20,22-trienolide #; Bufa-4,20,22-trienolide, 3-.beta.,6-.beta.,8,14-tetrahydroxy-, 6-acetate; Bufa-4,20,22-trienolide, 6-(acetyloxy)-3,8,14-trihydroxy-, (3-.beta.,6-.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	7534	.	.	.	.	458.5	C26H34O7	113	981	1.2	33	3	7	3	"InChI=1S/C26H34O7/c1-15(27)33-20-13-25(30)21(23(2)9-6-17(28)12-19(20)23)8-10-24(3)18(7-11-26(24,25)31)16-4-5-22(29)32-14-16/h4-5,12,14,17-18,20-21,28,30-31H,6-11,13H2,1-3H3"	CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)O)C)O	SOJXCEWHLPYBAF-UHFFFAOYSA-N
DG51142	"N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine"	222439	NSC8360; NSC-8360; 3870-43-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	8360	.	.	.	.	480	C28H31ClFN3O	37.4	600	7.2	34	1	5	10	"InChI=1S/C28H31ClFN3O/c1-4-33(5-2)16-6-7-25(19-8-11-21(30)12-9-19)32-28-23-14-10-20(29)17-27(23)31-26-15-13-22(34-3)18-24(26)28/h8-15,17-18,25H,4-7,16H2,1-3H3,(H,31,32)"	CCN(CC)CCCC(C1=CC=C(C=C1)F)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC	IUQXIOUBUALYAC-UHFFFAOYSA-N
DG51143	"1-(Naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid"	222760	"NSC9608; NSC-9608; NCIStruc1_001012; NCIStruc2_000716; SCHEMBL5022959; CHEMBL1399619; NCI9608; ZINC3953831; CCG-36883; NCGC00013098; NCGC00013098-02; NCGC00096220-01; NCI60_042143; 1-(naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid; 1-(2-naphthyl)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9608	.	.	.	.	378.4	C25H14O4	71.4	684	5.3	29	1	4	2	"InChI=1S/C25H14O4/c26-23-17-7-3-4-8-18(17)24(27)22-19(23)11-12-20(25(28)29)21(22)16-10-9-14-5-1-2-6-15(14)13-16/h1-13H,(H,28,29)"	C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)C(=O)O	IPGCPQVGKGPJDW-UHFFFAOYSA-N
DG51144	Fumagillol	222778	"Fumagillol; 108102-51-8; UNII-409OS4DE8W; Gelcohol; 409OS4DE8W; CHEBI:324935; NSC9665; Alcohol-I from Fumagillin; (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol; 1-Oxaspiro[2.5]octan-6-ol,5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-,(3R,4S,5S,6R)-; MLS003389373; (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-ol; (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol; Alcohol-I from funagillin; CHEMBL137317; SCHEMBL2553407; NSC-9665; ZINC4416431; FUMAGILLIN, ALCOHOL I ORIGIN; AKOS030241038; HY-103643; CS-0028784; J-002058; Q27105155; 1-Oxaspiro[2.5]octan-6-ol,3-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-; 1-Oxaspiro(2.5)octan-6-ol, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9665	.	.	.	.	282.37	C16H26O4	54.5	417	1.7	20	1	4	4	"InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1"	CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)O)OC)C	CEVCTNCUIVEQOY-JQOWZUPLSA-N
DG51145	"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol"	222840	"2,4-dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol; 5419-53-4; NSC9768; DTXSID60278743; NSC-9768; ZINC1700181"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9768	.	.	.	.	303.6	C13H9Cl3O2	40.5	277	4.9	18	2	2	2	"InChI=1S/C13H9Cl3O2/c14-9-1-2-12(17)7(4-9)3-8-5-10(15)6-11(16)13(8)18/h1-2,4-6,17-18H,3H2"	C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)Cl)O)O	IYRGELGEXONOMJ-UHFFFAOYSA-N
DG51146	"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol"	222841	NSC9771; NSC-9771	.	.	Investigative Drug(s)	Investigative	Small molecular drug	9771	.	.	.	.	514.299	C25H24Cl4O3	60.7	539	9.4	32	3	3	7	"InChI=1S/C25H24Cl4O3/c1-3-4-13(2)14-5-15(7-17-9-19(26)11-21(28)24(17)31)23(30)16(6-14)8-18-10-20(27)12-22(29)25(18)32/h5-6,9-13,30-32H,3-4,7-8H2,1-2H3"	CCCC(C)C1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)Cl)Cl)O)O)CC3=C(C(=CC(=C3)Cl)Cl)O	CXRWSMYCZWHYIS-UHFFFAOYSA-N
DG51147	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine"	222938	NSC10036; NSC-10036	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10036	.	.	.	.	416.4	C23H27Cl2N3	28.2	438	6.2	28	1	3	9	"InChI=1S/C23H27Cl2N3/c1-3-28(4-2)14-12-18(17-5-7-19(24)8-6-17)16-27-22-11-13-26-23-15-20(25)9-10-21(22)23/h5-11,13,15,18H,3-4,12,14,16H2,1-2H3,(H,26,27)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl	DSMFZNJRJXGJSS-UHFFFAOYSA-N
DG51148	"N-(7-chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine"	222939	NSC10037; NSC-10037; 6286-25-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10037	.	.	.	.	381.9	C23H28ClN3	28.2	408	5.6	27	1	3	9	"InChI=1S/C23H28ClN3/c1-3-27(4-2)15-13-19(18-8-6-5-7-9-18)17-26-22-12-14-25-23-16-20(24)10-11-21(22)23/h5-12,14,16,19H,3-4,13,15,17H2,1-2H3,(H,25,26)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=CC=C3	MTCDAAIAIIMJHW-UHFFFAOYSA-N
DG51149	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine"	223170	"5418-59-7; NSC13052; DTXSID30278891; NSC10492; NSC-10492; NSC-13052; 2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine; 2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',5-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10492	.	.	.	.	430.4	C24H29Cl2N3	28.2	451	6.6	29	1	3	10	"InChI=1S/C24H29Cl2N3/c1-3-29(4-2)15-5-6-19(18-7-9-20(25)10-8-18)17-28-23-13-14-27-24-16-21(26)11-12-22(23)24/h7-14,16,19H,3-6,15,17H2,1-2H3,(H,27,28)"	CCN(CC)CCCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl	FTCNBUOQORTZBK-UHFFFAOYSA-N
DG51150	Hydrocortisone cypionate	223253	"HYDROCORTISONE CYPIONATE; 508-99-6; Cortef fluid; Cortef oral suspension; Cortisol 21-cyclopentanepropionate; Hydrocortisone Cyclopentylpropionate; Hydrocortisone cyclopentyl propionate; UNII-4XDY25L70B; Hydrocortisone cipionate; NSC 10721; 4XDY25L70B; CHEBI:5783; Cortisol, 21-cyclopentanepropionate; NSC-10721; [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate; Hydrocortisone 21.beta.-cyclopentanepropionate; 17-Hydroxycorticosterone 21.beta.-cyclopentylpropionate; 17-(3-cyclopentyl-1-propionyl)-11beta,17alpha,21-trihydroxypregn-4-ene-3,20-dione; MLS002638159; Hydrocortisone cypionate [USP]; C29H42O6; EINECS 208-091-0; Hydrocortisone 21beta-cyclopentanepropionate; CHEMBL1549; SCHEMBL41673; 17-Hydroxycorticosterone 21beta-cyclopentylpropionate; DTXSID90872930; Hydrocortisone cypionate(200 mg); NSC10721; ZINC4097470; BDBM50371265; HY-U00089; LMST02030121; 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-cyclopentanepropionate; DB14541; NCI60_000174; Cortisol, 21-cyclopentanepropionate (8CI); C08176; D00976; Q27106891; Pregn-4-ene-3, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-; Pregn-4-ene-3,20-dione, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-; Pregn-4-ene-3,20-dione, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11beta)-; 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl 3-cyclopentylpropanoate, (17.alpha.,21.beta.)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10721	.	.	.	.	486.6	C29H42O6	101	918	4.7	35	2	6	7	"InChI=1S/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC5CCCC5)O)C)O	DLVOSEUFIRPIRM-KAQKJVHQSA-N
DG51151	"1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one"	223320	"1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo[c,h]chromen-6-one; 5408-46-8; NSC10848; 1-Hydroxy-7,8,9,10-tetrahydro-6H-dibenzo(c,h)chromen-6-one; 1-hydroxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one; NSC 10848; CHEMBL1995990; DTXSID90202410; HMS1595E19; ALBB-015765; ZINC1237938; MFCD06623747; NSC-10848; STL466139; AKOS004938532; MCULE-9505567059; NCI60_000199; NS-04201; CS-0271696; SR-01000289262; SR-01000289262-1; 6H-Benzo[d]naphtho[1,2-b]pyran-6-one, 7,8,9,10-tetrahydro-1-hydroxy-; 15-hydroxy-9-oxatetracyclo[8.8.0.0(2), .0(1)(1),(1) ]octadeca-1(18),2(7),10,12,14,16-hexaen-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	10848	.	.	.	.	266.29	C17H14O3	46.5	453	3.7	20	1	3	0	"InChI=1S/C17H14O3/c18-15-7-3-6-12-11(15)8-9-13-10-4-1-2-5-14(10)17(19)20-16(12)13/h3,6-9,18H,1-2,4-5H2"	C1CCC2=C(C1)C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O	RJMGRGVAXQHCTH-UHFFFAOYSA-N
DG51152	"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol"	223647	"6288-46-6; 3-(dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol; NSC11420; CHEMBL1992349; DTXSID00279158; NSC-11420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11420	.	.	.	.	399.6	C26H41NO2	32.7	428	7.1	29	1	3	13	"InChI=1S/C26H41NO2/c1-6-8-12-18-27(19-13-9-7-2)20-26(3,4)25(28)23-16-17-24(29-5)22-15-11-10-14-21(22)23/h10-11,14-17,25,28H,6-9,12-13,18-20H2,1-5H3"	CCCCCN(CCCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O	UKDUPHWVSJDRHH-UHFFFAOYSA-N
DG51153	Antineoplastic-11452	223660	NSC11452; ANTINEOPLASTIC-11452; NSC-11452	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11452	.	.	.	.	323.2	C12H10AsNO3S	71.6	365	.	18	1	4	3	"InChI=1S/C12H10AsNO3S/c15-13-10-6-8-12(9-7-10)18(16,17)14-11-4-2-1-3-5-11/h1-9,14H"	C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[As]=O	YUOGJQAYDKANMW-UHFFFAOYSA-N
DG51154	"4-Hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one"	223673	"5423-06-3; MLS002638215; 4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one; 4-Hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-enone; NSC 11511; 2-Cyclopenten-1-one, 4-hydroxy-2,5-dimethyl-3,4-diphenyl-; SMR001547704; NSC11511; 2,5-Dimethyl-3,4-diphenyl-4-hydroxy-2-cyclopenten-1-one; cid_223673; CHEMBL1903930; NIOSH/GY7277500; BDBM91371; DTXSID60279174; HMS3080D05; MFCD00088448; NSC-11511; AKOS024323931; MCULE-6634942693; TS-7257; GY72775000; 2,5-Dimethyl-3,4-diphenyl-4-hydroxy-2-cyclopentene-1-one; 4-hydroxy-2,5-dimethyl-3,4-diphenyl-1-cyclopent-2-enone; 4-hydroxy-2,5-dimethyl-3,4-diphenyl-cyclopent-2-en-1-one; 2,5-DIMETHYL-3,4-DIPHENYL-4-HYDROXY-2-CYCLOPENTENONE; 2,5-dimethyl-4-oxidanyl-3,4-diphenyl-cyclopent-2-en-1-one; 2-Cyclopenten-1-one, 2,5-dimethyl-3,4-diphenyl-4-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11511	.	.	.	.	278.3	C19H18O2	37.3	439	3	21	1	2	2	"InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3"	CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C	VAAQGIJITBVELH-UHFFFAOYSA-N
DG51155	"4-(4-Chlorophenyl)sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine"	223719	MLS000737952; NSC11624; Maybridge3_001738; CHEMBL1906528; HMS1435O22; HMS2884O18; ZINC116869; NSC-11624; CCG-238717; MCULE-2442204132; IDI1_013125; SMR000528102; BRD-K20935905-001-08-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11624	.	.	.	.	276.75	C12H9ClN4S	68.9	285	3.2	18	0	4	2	"InChI=1S/C12H9ClN4S/c1-17-11-10(6-16-17)12(15-7-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3"	CN1C2=C(C=N1)C(=NC=N2)SC3=CC=C(C=C3)Cl	DWNXJJMPMJYMAB-UHFFFAOYSA-N
DG51156	"1-Phenyl-4-propoxy-6-propylsulfanylpyrazolo[3,4-d]pyrimidine"	223750	MLS000737953; NSC11663; CHEMBL1539638; SCHEMBL15503833; HMS2884O16; ZINC1718481; NSC-11663; SMR000528103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11663	.	.	.	.	328.4	C17H20N4OS	78.1	354	4.8	23	0	5	7	"InChI=1S/C17H20N4OS/c1-3-10-22-16-14-12-18-21(13-8-6-5-7-9-13)15(14)19-17(20-16)23-11-4-2/h5-9,12H,3-4,10-11H2,1-2H3"	CCCOC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCCC	HJYNXQLPHAIUGN-UHFFFAOYSA-N
DG51157	"4-N,6-N-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine"	223752	"MLS000737955; SMR000528105; NSC11667; cid_223752; CHEMBL1601820; SCHEMBL17207740; BDBM78331; ZINC1718485; NSC-11667; 4-N,6-N-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; N4,N6-bis(4-bromophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine; N4,N6-bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; [4-(4-bromoanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(4-bromophenyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11667	.	.	.	.	474.2	C18H14Br2N6	67.7	453	5.3	26	2	5	4	"InChI=1S/C18H14Br2N6/c1-26-17-15(10-21-26)16(22-13-6-2-11(19)3-7-13)24-18(25-17)23-14-8-4-12(20)5-9-14/h2-10H,1H3,(H2,22,23,24,25)"	CN1C2=NC(=NC(=C2C=N1)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br	PWZSMHFUFVPPLU-UHFFFAOYSA-N
DG51158	"4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine"	223753	"NSC11668; MLS000737956; NSC-11668; NCIStruc1_001174; NCIStruc2_000793; cid_223753; CHEMBL1335220; SCHEMBL13100664; BDBM32629; N4,4-d]pyrimidine-4,6-diamine; NCI11668; ZINC1718486; CCG-36888; NCGC00013125; 4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine; AKOS024255121; MCULE-2217239478; NCGC00013125-02; NCGC00096246-01; NCI60_000381; SMR000528106; N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11668	.	.	.	.	385.2	C18H14Cl2N6	67.7	469	5.2	26	2	5	4	"InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)"	CN1C2=NC(=NC(=C2C=N1)NC3=CC(=CC=C3)Cl)NC4=CC(=CC=C4)Cl	HRCYEQFRHAXCRH-UHFFFAOYSA-N
DG51159	6-Methoxy-4-methylcoumarin	223821	"6-Methoxy-4-methylcoumarin; 6295-35-8; 6-methoxy-4-methyl-2H-chromen-2-one; 6-methoxy-4-methylchromen-2-one; 4-Methyl-6-methoxycoumarin; 6-Methoxy-4-methyl-chromen-2-one; NSC11841; 2H-1-Benzopyran-2-one, 6-methoxy-4-methyl-; TimTec1_005460; MLS000085646; SCHEMBL7115071; CHEMBL1562020; ZINC58048; DTXSID60279235; HMS1549I04; HMS2308E04; 6-Methoxy-4-methylcoumarin, 98%; MFCD00635101; NSC-11841; STK749417; AKOS001704594; AT15780; MCULE-6494272563; NCGC00050291-02; NCGC00173199-01; AS-62242; NCI60_000442; SMR000020775; DB-023751; FT-0735885; M1398; A868302; AK-087/40097203; SR-01000509815; SR-01000509815-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11841	.	.	.	.	190.19	C11H10O3	35.5	270	2.2	14	0	3	1	"InChI=1S/C11H10O3/c1-7-5-11(12)14-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3"	CC1=CC(=O)OC2=C1C=C(C=C2)OC	KNGPIBWCWOQBEK-UHFFFAOYSA-N
DG51160	"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol"	223883	NSC11969; NSC-11969; ZINC19366525	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11969	.	.	.	.	479	C16H14Cl6N2O2	64.5	400	7.2	26	4	4	7	"InChI=1S/C16H14Cl6N2O2/c17-9-3-11(19)15(25)7(13(9)21)5-23-1-2-24-6-8-14(22)10(18)4-12(20)16(8)26/h3-4,23-26H,1-2,5-6H2"	C1=C(C(=C(C(=C1Cl)Cl)CNCCNCC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	LABARNRANBXRQE-UHFFFAOYSA-N
DG51161	NSC11981	223889	"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol; NSC11981; 5422-60-6; CHEMBL1964518; DTXSID80442308; ZINC4428306; NSC-11981; ZINC150386961; ZINC150386963"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11981	.	.	.	.	656.8	C40H52N2O6	146	957	9.6	48	6	8	13	"InChI=1S/C40H52N2O6/c1-9-11-13-15-41-19-27-33-25(29(21(3)4)39(47)35(27)43)17-23(7)31(37(33)45)32-24(8)18-26-30(22(5)6)40(48)36(44)28(34(26)38(32)46)20-42-16-14-12-10-2/h17-22,43-48H,9-16H2,1-8H3"	CCCCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC)O)O)C(C)C)O)O)C(C)C)O)O	BBVAWKRITDKJPY-UHFFFAOYSA-N
DG51162	"3-Tert-butylindeno[1,2-c]pyrazol-4(3ah)-one"	223899	"NSC11991; MLS000737966; 6287-80-5; 3-(tert-Butyl)indeno[1,2-c]pyrazol-4(3aH)-one; 3-tert-butylindeno[1,2-c]pyrazol-4(3ah)-one; CHEMBL1527630; REGID_for_CID_223899; DTXSID80279257; HMS2880G11; NSC-11991"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	11991	.	.	.	.	226.27	C14H14N2O	41.8	428	2.9	17	0	3	1	"InChI=1S/C14H14N2O/c1-14(2,3)13-10-11(15-16-13)8-6-4-5-7-9(8)12(10)17/h4-7,10H,1-3H3"	CC(C)(C)C1=NN=C2C1C(=O)C3=CC=CC=C32	RAFCLOURPITYQX-UHFFFAOYSA-N
DG51163	"2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid"	223918	"NSC638156; NSC-638156; 6287-94-1; 2-([1,1'-Biphenyl]-4-ylmethylene)malonic acid; NSC12024; NCIStruc1_000959; NCIStruc2_001107; SCHEMBL7319207; CHEMBL1453463; DTXSID70279266; Malonic acid, p-phenylbenzylidene-; ZINC1871093; CCG-36769; NCGC00014951; NCI638156; NSC-12024; Malonic acid, (4-biphenylylmethylene)-; NCGC00014951-02; NCGC00098051-01; NCI60_012708; 2-[(4-phenylphenyl)methylene]propanedioic acid; Propanedioic acid,1'-biphenyl]-4-ylmethylene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	638156	.	.	.	.	268.26	C16H12O4	74.6	369	4.3	20	2	4	4	"InChI=1S/C16H12O4/c17-15(18)14(16(19)20)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,19,20)"	C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O	VUKIGYZXHRSZFY-UHFFFAOYSA-N
DG51164	7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid	223984	NSC12129; 7251-99-2; CHEMBL1980579; ZINC4428369; ZINC82170345; ZINC150387022; NCI60_000499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12129	.	.	.	.	718.7	C32H22N4O10S3	258	1420	5.6	49	4	14	8	"InChI=1S/C32H22N4O10S3/c37-25-17-7-19-3-1-5-27(48(41,42)43)29(19)31(25)35-33-21-9-13-23(14-10-21)47(39,40)24-15-11-22(12-16-24)34-36-32-26(38)18-8-20-4-2-6-28(30(20)32)49(44,45)46/h1-18,37-38H,(H,41,42,43)(H,44,45,46)"	C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O	XQDXOBGAFYLUDL-UHFFFAOYSA-N
DG51165	Isoguanosine	223996	"Isoguanosine; NSC12161; 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one; 9-(b-D-Arabinofuranosyl)isoguanine; NSC-12161; Isoguanine, 9-.beta.-D-ribofuranosyl-; Oprea1_714106; Adenosine,2-dihydro-2-oxo-; 2-Hydroxyadenosine;Isoguanosine; CHEMBL296017; SCHEMBL6683263; DTXSID70939474; BCP34471; STK370034; AKOS005445385; MCULE-2470639762; NCGC00168561-01; 6-Amino-9-pentofuranosyl-9H-purin-2-ol; NCI60_000505; FT-0600136; L000826; 6-amino-9-pentofuranosyl-3,9-dihydro-2H-purin-2-one; Q15632739; 6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12161	.	.	.	.	283.24	C10H13N5O5	153	544	-3	20	5	7	2	"InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)"	C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N	MIKUYHXYGGJMLM-UHFFFAOYSA-N
DG51166	9-Fluoroprednisolone	224001	"9-Fluoroprednisolone; .DELTA.-Fluorocortisone; MLS002701904; NSC12174; 9-Fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione; CHEMBL1703090; SCHEMBL19715951; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NCI60_000506; SMR001565488; FT-0670457; Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-; Pregna-1,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-; Pregna-1,4-diene-3, 20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-; Pregna-1, 4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12174	.	.	.	.	378.4	C21H27FO5	94.8	775	1.5	27	3	6	2	"InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3"	CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O	WAIJIHDWAKJCBX-UHFFFAOYSA-N
DG51167	Drostanolone propionate	224004	"drostanolone propionate; DROMOSTANOLONE PROPIONATE; 521-12-0; Emdisterone; Permastril; Blackburn Compound; Masterid; Masteron; 2MDTP; 2M-DHTP; Drolban; Masteril; Masterone; Medrotestron propionate; Medrotestrone propanoate; Medrotestrone propionate; MDHT; Dromostanolone proprionate; Lilly 32379; Re 346; UNII-X20UZ57G4O; Dromostanolone 17-propionate; RS 1567; 2alpha-Methyl-4,5-dihydrotestosterone propionate; NSC-1298; Testosterone, 4,5alpha-dihydro-2alpha-methyl-, propionate; 17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one propionate; X20UZ57G4O; CHEBI:31523; NSC-12198; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2a,5a,17b)-; 2.alpha.-Methyldihydrotestosterone propionate; 2.alpha.-Methyl-4,5-dihydrotestosterone propionate; 2alpha-methyl-3-oxo-5alpha-androstan-17beta-yl propanoate; Nomasteron; 17.beta.-Hydroxy-2.alpha.-methyl-5.alpha.-androstan-3-one propionate; (2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate; Drolban (TN); Masteron (TN); EINECS 208-303-1; Dromostanolone propionate [USAN:USP]; BRN 3161958; AI3-52810; SCHEMBL3173; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-; 4-08-00-00654 (Beilstein Handbook Reference); 17b-hydroxy-2a-methyl-5a-androstan-3-one propionate; Drostanolone propionate (JAN); GTPL6947; CHEMBL1201048; DTXSID1022972; Dromostanolone propionate (USAN); Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2.alpha.,5.alpha.,17.beta.)-; (2alpha,5alpha,17beta)-2-methyl-3-oxoandrostan-17-yl propanoate; NSC12198; ZINC4213057; MFCD01669961; s4794; AKOS015895157; ACN-031995; CCG-268166; DB14655; DS-3972; NCGC00507798-01; HY-107344; CS-0028187; C15917; D01534; 521D120; A828929; Q5308606; W-105852; Testosterone,5.alpha.-dihydro-2.alpha.-methyl-, propionate; Testosterone, 4,5.alpha.-dihydro-2.alpha.-methyl-, propionate; Androstan-3-one,2-methyl-17-(1-oxopropoxy)-,(2; A,5; A,17; A)-; 5-alpha-Androstan-3-one, 17-beta-hydroxy-2-alpha-methyl-, propionate; 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-2.alpha.-methyl-, propionate; Androstan-3-one, 2-methyl-17-(1-oxopropoxy)-, (2alpha,5alpha,17beta)-; 2-Methyl-3-oxoandrostan-17-yl propionate, (2.alpha.,5.alpha.,17.beta.)- #; [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate; propanoic acid [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12198	.	.	.	.	360.5	C23H36O3	43.4	598	5.3	26	0	3	3	"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1"	CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C	NOTIQUSPUUHHEH-UXOVVSIBSA-N
DG51168	4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid	224279	NSC12650; 4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid; 5425-66-1; MLS000737387; NSC-12650; NSC 12650; NCIStruc1_000976; NCIStruc2_000959; ANTINEOPLASTIC-12650; CHEMBL1363838; CHEMBL1742120; CHEMBL1980565; HMS2886F15; NCI12650; CCG-36794; NCGC00013140; 4-Hydroxyazobenzene-4'-ylarsonic acid; NCGC00013140-02; NCGC00096261-01; NCI60_000609; SMR000528121; [4-[(E)-(4-hydroxyphenyl)azo]phenyl]arsonic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12650	.	.	.	.	322.15	C12H11AsN2O4	103	355	.	19	3	6	3	"InChI=1S/C12H11AsN2O4/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17,18)19/h1-8,16H,(H2,17,18,19)"	C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)O	DJCIIHFJCDJYHI-UHFFFAOYSA-N
DG51169	3-Bromo-2-phenylquinolin-4(1h)-one	224423	3-bromo-2-phenylquinolin-4(1h)-one; NSC12825; 6639-96-9; 3-bromo-2-phenyl-1H-quinolin-4-one; NCIMech_000116; CHEMBL1964770; DTXSID40279490; ZINC8581038; CCG-35465; NSC-12825; 2-Phenyl-3-bromoquinoline-4(1H)-one; NCI60_000642	.	.	Investigative Drug(s)	Investigative	Small molecular drug	12825	.	.	.	.	300.15	C15H10BrNO	29.1	371	4.1	18	1	2	1	"InChI=1S/C15H10BrNO/c16-13-14(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15(13)18/h1-9H,(H,17,18)"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)Br	XTXHUFVPTJDODX-UHFFFAOYSA-N
DG51170	4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol	224524	MLS000737404; 5427-55-4; SMR000528125; NSC13051; cid_224524; CHEMBL1430372; BDBM51879; DTXSID40279531; HMS2862N16; ZINC4366520; NSC-13051; 4-[(6-chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol; 4-[(6-chloro-2-methoxy-9-acridinyl)amino]-5-methyl-2-propan-2-ylphenol; 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-2-isopropyl-5-methyl-phenol; 4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]-5-methyl-2-propan-2-yl-phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13051	.	.	.	.	406.9	C24H23ClN2O2	54.4	547	6.8	29	2	4	4	"InChI=1S/C24H23ClN2O2/c1-13(2)18-12-21(14(3)9-23(18)28)27-24-17-7-5-15(25)10-22(17)26-20-8-6-16(29-4)11-19(20)24/h5-13,28H,1-4H3,(H,26,27)"	CC1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)C(C)C)O	MIOFGYQKSYDPBN-UHFFFAOYSA-N
DG51171	3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine	224604	NSC13239; 5423-72-3; 3-(aminomethyl)-N-butyl-7-chloroquinolin-4-amine; CHEMBL187216; NCI-13239; NSC-13239; NCIStruc1_000320; NCIStruc2_001125; DTXSID00279577; NCI13239; ZINC1683338; BDBM50154454; CCG-37792; NCGC00013150; NCGC00013150-02; NCGC00096271-01; NCI60_000715; (3-Aminomethyl-7-chloro-quinolin-4-yl)-butyl-amine; N-Butyl-3-(aminomethyl)-7-chloroquinoline-4-amine; N-(3-(aminomethyl)-7-chloro-4-quinolinyl)-N-butylamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13239	.	.	.	.	263.76	C14H18ClN3	50.9	249	3.5	18	2	3	5	"InChI=1S/C14H18ClN3/c1-2-3-6-17-14-10(8-16)9-18-13-7-11(15)4-5-12(13)14/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)"	CCCCNC1=C2C=CC(=CC2=NC=C1CN)Cl	LKEMVVCLTDWQJE-UHFFFAOYSA-N
DG51172	(2-(4-Chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol	224644	vacquinol-1; 5428-80-8; NSC13316; (2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol; [2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol; MLS000737413; (2-(4-chlorophenyl)-4-quinolinyl)(2-piperidinyl)methanol; NSC-13316; Vacquinol 1; Vacquinol-1 dihydrochloride; GTPL8373; SCHEMBL8738855; CHEMBL1393664; DTXSID10279588; EX-A743; BCP16390; MFCD29918839; NCI60_000731; SMR000528132; FT-0700326; F17392; A870497; J-690317; Q27089117; (2-(4-chlorophenyl)quinolin-4-yl) (piperidin-2-yl)methanol; Vacquinol1;Vacquinol 1;NSC 13316; NSC-13316; NSC13316;	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13316	.	.	.	.	352.9	C21H21ClN2O	45.2	426	4.1	25	2	3	3	"InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2"	C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O	VKLJPGAHSLIQKH-UHFFFAOYSA-N
DG51173	"4-(1,3-Benzothiazol-2-ylsulfanyl)-6-methoxy-2-methylquinoline"	224687	"MLS000737419; NSC13380; 5429-26-5; 4-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxy-2-methylquinoline; SMR000528135; cid_224687; CHEMBL1533676; BDBM47467; DTXSID10279609; HMS2860N09; 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1,3-benzothiazole; NSC-13380; ZINC37868605; 2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole; 2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1,3-benzothiazole; 2-[(6-methoxy-2-methyl-4-quinolyl)thio]-1,3-benzothiazole; 2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13380	.	.	.	.	338.5	C18H14N2OS2	88.6	411	5.4	23	0	5	3	"InChI=1S/C18H14N2OS2/c1-11-9-17(13-10-12(21-2)7-8-14(13)19-11)23-18-20-15-5-3-4-6-16(15)22-18/h3-10H,1-2H3"	CC1=CC(=C2C=C(C=CC2=N1)OC)SC3=NC4=CC=CC=C4S3	PGWZWDHGBCTCBR-UHFFFAOYSA-N
DG51174	"N,n-diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine"	224741	"NSC13479; NSC-13479; 5431-05-0; DS-011773; N,n-diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13479	.	.	.	.	569.6	C30H39N3O8	170	649	.	41	5	11	15	"InChI=1S/C24H31N3O.C6H8O7/c1-4-27(5-2)17-9-10-19(3)26-23-15-16-25-24-18-21(13-14-22(23)24)28-20-11-7-6-8-12-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	KZZWBYVWADVNFZ-UHFFFAOYSA-N
DG51175	"n4-[6-(Benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine"	224743	"5431-08-3; NSC13483; n4-[6-(benzylsulfanyl)-7-chloroquinolin-4-yl]-n1,n1-diethylpentane-1,4-diamine; DTXSID40279632; NSC-13483; A821143; N4-[7-chloranyl-6-(phenylmethylsulfanyl)quinolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine; N4-[7-chloro-6-(phenylmethylthio)-4-quinolinyl]-N1,N1-diethylpentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13483	.	.	.	.	442.1	C25H32ClN3S	53.5	469	6.6	30	1	4	11	"InChI=1S/C25H32ClN3S/c1-4-29(5-2)15-9-10-19(3)28-23-13-14-27-24-17-22(26)25(16-21(23)24)30-18-20-11-7-6-8-12-20/h6-8,11-14,16-17,19H,4-5,9-10,15,18H2,1-3H3,(H,27,28)"	CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3	CPNZFAYIRSHTEY-UHFFFAOYSA-N
DG51176	"2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine"	224810	"MLS000737424; 2-N-cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine; 5431-62-9; SMR000528139; NSC13616; n2-cyclohexyl-n1-(6-methoxyquinolin-8-yl)butane-1,2-diamine; cid_224810; CHEMBL1570497; BDBM63813; HMS2880E15; NSC-13616; DS-002438; SR-01000763636; SR-01000763636-2; N2-cyclohexyl-N1-(6-methoxy-8-quinolinyl)butane-1,2-diamine; cyclohexyl-[1-[[(6-methoxy-8-quinolyl)amino]methyl]propyl]amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13616	.	.	.	.	327.5	C20H29N3O	46.2	359	4.5	24	2	4	7	"InChI=1S/C20H29N3O/c1-3-16(23-17-9-5-4-6-10-17)14-22-19-13-18(24-2)12-15-8-7-11-21-20(15)19/h7-8,11-13,16-17,22-23H,3-6,9-10,14H2,1-2H3"	CCC(CNC1=C2C(=CC(=C1)OC)C=CC=N2)NC3CCCCC3	BQBNRUUEFJVRMO-UHFFFAOYSA-N
DG51177	"N-(4-benzylsulfanylquinolin-8-yl)-n,n-diethyl-propane-1,3-diamine"	224815	"5431-71-0; NSC13628; DTXSID70969377; ZINC1591927; NSC-13628; DS-011591; N-(4-benzylsulfanylquinolin-8-yl)-n,n-diethyl-propane-1,3-diamine; N~3~-[4-(Benzylsulfanyl)quinolin-8-yl]-N~1~,N~1~-diethylpropane-1,3-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13628	.	.	.	.	379.6	C23H29N3S	53.5	395	5.3	27	1	4	10	"InChI=1S/C23H29N3S/c1-3-26(4-2)17-9-15-24-21-13-8-12-20-22(14-16-25-23(20)21)27-18-19-10-6-5-7-11-19/h5-8,10-14,16,24H,3-4,9,15,17-18H2,1-2H3"	CCN(CC)CCCNC1=CC=CC2=C(C=CN=C21)SCC3=CC=CC=C3	HRNGEYSSMHIOAU-UHFFFAOYSA-N
DG51178	Petcm	224859	"PETCM; 10129-56-3; alpha-(Trichloromethyl)-4-pyridineethanol; 1,1,1-trichloro-3-(pyridin-4-yl)propan-2-ol; 1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol; 4-Pyridineethanol, alpha-(trichloromethyl)-; NSC13699; 1-(trichloromethyl)-2-(4-pyridine)ethanol; Cambridge id 5156091; GTPL5242; SCHEMBL4017513; CHEBI:91963; DTXSID00279678; HMS3268C16; HMS3412F10; HMS3676F10; CCG-2272; HSCI1_000204; NSC-13699; AKOS000525447; MCULE-8064133051; SMP2_000143; HY-103349; CS-0027702; FT-0636635; SR-01000597497; J-000358; SR-01000597497-1; BRD-A93477898-001-01-8; BRD-A93477898-001-02-6; BRD-A93477898-001-03-4; Q27088305; Z56764761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13699	.	.	.	.	240.5	C8H8Cl3NO	33.1	154	2.3	13	1	2	2	"InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2"	C1=CN=CC=C1CC(C(Cl)(Cl)Cl)O	NGTDJJKTGRNNAU-UHFFFAOYSA-N
DG51179	"N-(7-chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine"	224873	NSC13724; NSC-13724; 5442-70-6	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13724	.	.	.	.	430.4	C24H29Cl2N3	28.2	465	6.7	29	1	3	9	"InChI=1S/C24H29Cl2N3/c1-4-29(5-2)13-12-19(18-6-8-20(25)9-7-18)16-28-24-17(3)15-27-23-14-21(26)10-11-22(23)24/h6-11,14-15,19H,4-5,12-13,16H2,1-3H3,(H,27,28)"	CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC=C(C=C3)Cl	BEHRYSUQMOVSKT-UHFFFAOYSA-N
DG51180	carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester	224935	"S-[2-(2-methoxyanilino)-2-oxoethyl] carbamothioate; carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester; 7451-60-7; MLS000533449; SMR000140887; S-{2-[(2-methoxyphenyl)amino]-2-oxoethyl} thiocarbamate; 5947-53-5; NSC13801; CBMicro_009633; o-Acetanisidide, carbamate; cid_224935; CHEMBL1367909; SCHEMBL12127423; BDBM44876; ZINC63671; DTXSID60279715; CHEBI:112163; HMS2171L12; HMS3313O22; SMSF0010461; NSC-13801; STK795373; 2-Mercapto-o-acetanisidide, carbamate; AKOS000348313; CB12447; MCULE-3806373047; NCI60_000861; BIM-0009792.P001; EU-0018101; SR-01000516424; SR-01000516424-1; Q27192258; thiocarbamic acid S-[2-keto-2-(o-anisidino)ethyl] ester; Carbamic acid, S-[(o-methoxyphenylcarbamoyl)methyl] ester; S-{2-[(2-methoxyphenyl)amino]-2-oxoethyl} carbamothioate; 1-({2-[(aminocarbonyl)sulfanyl]acetyl}amino)-2-methoxybenzene; Carbamic acid (8CI), S-ester with 2-mercapto-o-acetanisidide; S-[2-[(2-methoxyphenyl)amino]-2-oxoethyl] aminomethanethioate; S-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] carbamothioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13801	.	.	.	.	240.28	C10H12N2O3S	107	260	1	16	2	4	5	"InChI=1S/C10H12N2O3S/c1-15-8-5-3-2-4-7(8)12-9(13)6-16-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)"	COC1=CC=CC=C1NC(=O)CSC(=O)N	WZDOMPZYPBKCOE-UHFFFAOYSA-N
DG51181	3-(1-methyl-5-((1-methyl-5-(3-pyridinyl)-1H-pyrrol-2-yl)thio)-1H-pyrrol-2-yl)pyridine	224958	NSC13831; NSC-13831; Probes1_000354; Probes2_000021; NCIStruc1_001216; NCIStruc2_000712; CHEMBL1408138; NCI13831; CCG-36689; NCGC00013172; ZINC37868639; 3-(1-methyl-5-((1-methyl-5-(3-pyridinyl)-1H-pyrrol-2-yl)thio)-1H-pyrrol-2-yl)pyridine; NCGC00013172-02; NCGC00096293-01; NCI60_000863	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13831	.	.	.	.	346.5	C20H18N4S	60.9	396	3.3	25	0	3	4	"InChI=1S/C20H18N4S/c1-23-17(15-5-3-11-21-13-15)7-9-19(23)25-20-10-8-18(24(20)2)16-6-4-12-22-14-16/h3-14H,1-2H3"	CN1C(=CC=C1SC2=CC=C(N2C)C3=CN=CC=C3)C4=CN=CC=C4	KJMDINXKZZGZAN-UHFFFAOYSA-N
DG51182	2-[Hydroxy-(1-hydroxynaphthalen-2-yl)-phenyl-methyl]naphthalen-1-ol	224978	NSC13984; NSC-13984; NCIStruc1_001005; NCIStruc2_000797; CHEMBL1367656; SCHEMBL13856943; NCI13984; ZINC3953857; 2-[hydroxy-(1-hydroxynaphthalen-2-yl)-phenyl-methyl]naphthalen-1-ol; CCG-37050; NCGC00013176; NCGC00013176-02; NCGC00096297-01; NCI60_000883	.	.	Investigative Drug(s)	Investigative	Small molecular drug	13984	.	.	.	.	392.4	C27H20O3	60.7	533	6.6	30	3	3	3	"InChI=1S/C27H20O3/c28-25-21-12-6-4-8-18(21)14-16-23(25)27(30,20-10-2-1-3-11-20)24-17-15-19-9-5-7-13-22(19)26(24)29/h1-17,28-30H"	C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C=C2)O)(C4=C(C5=CC=CC=C5C=C4)O)O	GFHLSVFXRWFTIQ-UHFFFAOYSA-N
DG51183	"(2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)-(p-nitrophenyl)methane"	225001	"63161-03-5; (2,3,4,5-Tetrachloro-2,4-cyclopentadienylidene)-(p-nitrophenyl)methane; NSC14034; DTXSID20279751; ZINC1592111; NSC-14034; (4-nitro-phenyl)-tetrachlorocyclopentadienylidene-methane; 1-Nitro-4-[(2,3,4,5-tetrachloro-2,4-cyclopentadienylidene)methyl]benzene; 1-Nitro-4-[(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)methyl]benzene #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14034	.	.	.	.	337	C12H5Cl4NO2	45.8	470	4.7	19	0	2	1	InChI=1S/C12H5Cl4NO2/c13-9-8(10(14)12(16)11(9)15)5-6-1-3-7(4-2-6)17(18)19/h1-5H	C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)[N+](=O)[O-]	IMKHPTXYFMGMDE-UHFFFAOYSA-N
DG51184	"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone"	225006	"NSC14040; CHEMBL1990840; NSC-14040; [5-(4-methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone; NCI60_000893; Methanone, 2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-ene-4,5-diylbis[(4-methoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14040	.	.	.	.	354.3	C18H14N2O6	89.7	607	3	26	0	8	6	"InChI=1S/C18H14N2O6/c1-23-13-7-3-11(4-8-13)15(21)16-18(20(25-18)26-19-16)17(22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3"	COC1=CC=C(C=C1)C(=O)C2=NON3C2(O3)C(=O)C4=CC=C(C=C4)OC	FVQGMXXUZFHDKN-UHFFFAOYSA-N
DG51185	"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione"	225223	MLS000737466; 5438-76-6; NSC14380; CHEMBL1322194; DTXSID20279872; HMS2882L19; ZINC1652969; NSC-14380; SMR000528152	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14380	.	.	.	.	266.3	C12H18N4O3	67.7	387	1.6	19	0	4	3	"InChI=1S/C12H18N4O3/c1-7(2)6-19-11-13-9-8(14(11)3)10(17)16(5)12(18)15(9)4/h7H,6H2,1-5H3"	CC(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C	AECKNGLDPIWXEE-UHFFFAOYSA-N
DG51186	10-Benzylideneanthracen-9(10h)-one	225328	"10-benzylideneanthracen-9(10h)-one; 10-benzylideneanthracen-9-one; 14343-92-1; CHEMBL267340; 10-benzylidene-9(10H)-anthracenone; 9-BENZYLIDENEANTHRONE; Benzylidenanthron; benzylideneanthrone; NSC14548; 9(10H)-Anthracenone,10-(phenylmethylene)-; Oprea1_810512; SCHEMBL4726286; DTXSID20279913; ZINC1020195; BDBM50474299; NSC-14548; STL308344; 10-Benzylidene-10H-anthracen-9-one; AKOS003661037; MCULE-9094627951; DS-009302; AD-310/30361008"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14548	.	.	.	.	282.3	C21H14O	17.1	415	5	22	0	1	1	InChI=1S/C21H14O/c22-21-18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)21/h1-14H	C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42	ZBDXDMJVRUZKDX-UHFFFAOYSA-N
DG51187	4-[(Carboxymethyl)amino]benzoic acid	225483	"4-[(carboxymethyl)amino]benzoic acid; 5698-54-4; 4-(carboxymethylamino)benzoic acid; NSC14973; 4-(Carboxymethyl-amino)-benzoic acid; N-(p-Carboxyphenyl)glycine; 4-((carboxymethyl)amino)benzoic acid; NSC-14973; Benzoic acid, 4-[(carboxymethyl)amino]-; ChemDiv3_000562; N-(4-Carboxyphenyl)glycine; NCIStruc1_000045; NCIStruc2_000135; Oprea1_021431; Oprea1_809920; SCHEMBL400499; CHEMBL286270; DTXSID40972459; HMS1474J12; ZINC230715; NCI14973; CCG-37615; NCGC00013193; AKOS001604421; MCULE-8996993209; NCGC00013193-02; NCGC00013193-03; NCGC00096314-01; NCGC00096314-02; NCI60_001032; B6257; EN300-45495; AG-690/36951091; SR-01000401795; SR-01000401795-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14973	.	.	.	.	195.17	C9H9NO4	86.6	221	0.1	14	3	5	4	"InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)"	C1=CC(=CC=C1C(=O)O)NCC(=O)O	YJEYSNOXMPDLJC-UHFFFAOYSA-N
DG51188	Glaucarubol	225484	GLAUCARUBOL; NSC14974; MLS002702819; 1448-22-2; CHEMBL1719883; DTXSID80279979; NSC-14974; NCI60_001033; SMR001566647	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14974	.	.	.	.	396.4	C20H28O8	137	767	-1.2	28	5	8	0	"InChI=1S/C20H28O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-15,17,21-24,26H,5-6H2,1-3H3"	CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O	YJIBLZYQKYKXFP-UHFFFAOYSA-N
DG51189	NSC14975	225485	"[(1S,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate; NSC14975"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	14975	.	.	.	.	496.5	C25H36O10	163	981	-0.2	35	5	10	4	"InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25 /m1/s1"	CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H]([C@H](C=C5C)O)O)C)OC1=O)O)O)C)O	LZKVXMYVBSNXER-JYUFQXQPSA-N
DG51190	"D-Arabino-hexose, 2-deoxy-"	225612	"154-17-6; 1949-89-9; D-Arabino-hexose, 2-deoxy-; D-Glucose, 2-deoxy-; 2-Deoxy-D-arabino-hexose;D-Arabino-2-deoxyhexose; 3,4,5,6-tetrahydroxyhexanal; MFCD00151328; 2-Deoxyhexose #; 2-Desoxy-D-galactose; 2-Deoxyglucose-1-3H; SCHEMBL200714; WLN: VH1YQYQYQ1Q-D-ARABINO; AKOS024386266; MCULE-4078609150; SB45112; SY031898; DB-013800; FT-0601010; FT-0612148; FT-0612149; FT-0770789; CAE9B3D5-D69C-4429-B799-5FEDF6758619"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15193	.	.	.	.	164.16	C6H12O5	98	116	-2.9	11	4	5	5	"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2"	C(C=O)C(C(C(CO)O)O)O	VRYALKFFQXWPIH-UHFFFAOYSA-N
DG51191	"9H-Carbazole, 1,8-dichloro-3,6-dinitro-"	225968	"104338-60-5; 1,8-dichloro-3,6-dinitrocarbazole; 9H-Carbazole, 1,8-dichloro-3,6-dinitro-; NSC15886; SCHEMBL9061681; DTXSID40280203; ZINC1733715; NSC-15886; 1,8-dichloro-3,6-dinitro-carbazole; Q2806562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	15886	.	.	.	.	326.09	C12H5Cl2N3O4	107	415	4.3	21	1	4	0	"InChI=1S/C12H5Cl2N3O4/c13-9-3-5(16(18)19)1-7-8-2-6(17(20)21)4-10(14)12(8)15-11(7)9/h1-4,15H"	C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]	YNBOZNTWWGDDLF-UHFFFAOYSA-N
DG51192	4-methyl-N-(2-nitrophenyl)sulfanylaniline	226033	4837-32-5; 4-methyl-N-(2-nitrophenyl)sulfanylaniline; NSC16034; CBDivE_011978; DTXSID30280232; ZINC123629; NSC-16034; AKOS001484963; MCULE-1865734249; 1-{[(4-methylphenyl)amino]thio}-2-nitrobenzene; AB00076264-01; SR-01000404364; SR-01000404364-1; N-(4-methylphenyl)-S-(2-nitrophenyl)thiohydroxylamine; S-(2-NITRO-PHENYL)-N-P-TOLYL-THIOHYDROXYLAMINE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16034	.	.	.	.	260.31	C13H12N2O2S	83.2	275	4.1	18	1	4	3	"InChI=1S/C13H12N2O2S/c1-10-6-8-11(9-7-10)14-18-13-5-3-2-4-12(13)15(16)17/h2-9,14H,1H3"	CC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]	DUOCQDQMSWPLKI-UHFFFAOYSA-N
DG51193	9-(Diethylamino)-7-phenylbenzo(a)phenazin-5(7H)-one	226107	82014-22-0; NSC16219; UNII-OAM5T44TSB; OAM5T44TSB; 9-(Diethylamino)-7-phenylbenzo(a)phenazin-5(7H)-one; 9-(Diethylamino)-7-phenylbenzo[a]phenazin-5(7H)-one; NSC 16219; DTXSID00231514; ZINC4366947; NSC-16219; 9-(diethylamino)-7-phenyl-benzo[a]phenazin-5-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16219	.	.	.	.	393.5	C26H23N3O	35.9	703	5.5	30	0	4	4	"InChI=1S/C26H23N3O/c1-3-28(4-2)19-14-15-22-23(16-19)29(18-10-6-5-7-11-18)24-17-25(30)20-12-8-9-13-21(20)26(24)27-22/h5-17H,3-4H2,1-2H3"	CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3N2C5=CC=CC=C5	RRPZIPGTVAQGNK-UHFFFAOYSA-N
DG51194	2-Nitro-1-phenylpropan-1-ol	226118	2-nitro-1-phenylpropan-1-ol; 6343-57-3; 2-nitro-1-phenyl-1-propanol; 1-phenyl-2-nitro-1-propanol; NSC16258; 1-Phenyl-2-nitro-propanol; SCHEMBL1357640; CHEMBL1979986; DTXSID60280285; NSC-16258; AKOS024325062; MCULE-5689771313	.	.	Investigative Drug(s)	Investigative	Small molecular drug	16258	.	.	.	.	181.19	C9H11NO3	66	172	1.3	13	1	3	2	"InChI=1S/C9H11NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3"	CC(C(C1=CC=CC=C1)O)[N+](=O)[O-]	JGYVPZIKTZGAAD-UHFFFAOYSA-N
DG51195	"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol"	226514	"NSC17061; 7250-00-2; NSC-17061; 1-((3,4-dimethoxybenzylidene)amino)-2-naphthol; NCIStruc1_000979; NCIStruc2_000840; CHEMBL1333454; CHEMBL1978044; SCHEMBL14286190; DTXSID90280475; NCI17061; CCG-36793; NCGC00013218; ZINC22910912; ZINC100135776; NCGC00013218-02; NCGC00096339-01; NCI60_001378; 1-(3,4-Dimethoxybenzylideneamino)-2-naphthol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17061	.	.	.	.	307.3	C19H17NO3	51	400	4.1	23	1	4	4	"InChI=1S/C19H17NO3/c1-22-17-10-7-13(11-18(17)23-2)12-20-19-15-6-4-3-5-14(15)8-9-16(19)21/h3-12,21H,1-2H3"	COC1=C(C=C(C=C1)C=NC2=C(C=CC3=CC=CC=C32)O)OC	WLADIRHKJOTLNV-UHFFFAOYSA-N
DG51196	(2-Benzamidophenyl) benzoate	226518	MLS002638522; 6296-59-9; (2-benzamidophenyl) benzoate; NSC17065; 2-benzamidophenyl benzoate; (2-benzamidophenyl)benzoate; CHEMBL1897180; SCHEMBL16685068; DTXSID70280478; ZINC1747944; NSC-17065; AKOS024362846; Benzoic acid 2-benzoylaminophenyl ester; MCULE-3917357784; SMR001547996	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17065	.	.	.	.	317.3	C20H15NO3	55.4	425	4.2	24	1	3	5	"InChI=1S/C20H15NO3/c22-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)24-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,22)"	C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=CC=C3	QGOZYNURVSRBIG-UHFFFAOYSA-N
DG51197	NSC17245	226609	"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate; NSC17245; NSC-17245; CHEMBL1975400; ZINC4683363; NCI60_001392"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17245	.	.	.	.	458.6	C27H38O6	101	887	3.7	33	2	6	5	"InChI=1S/C27H38O6/c1-25-11-9-18(28)13-17(25)7-8-19-20-10-12-27(32,26(20,2)14-21(29)23(19)25)22(30)15-33-24(31)16-5-3-4-6-16/h13,16,19-21,23,29,32H,3-12,14-15H2,1-2H3/t19-,20-,21-,23+,25-,26-,27-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C5CCCC5)O)C)O	RXDVZAPLJRNAQU-KJKDQFDUSA-N
DG51198	"Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoylacetate"	226619	"MLS002638531; U 7668; NSC17257; ZINC4683379; NSC-17257; Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoyl-acetate; Glutarimide,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, benzoylacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17257	.	.	.	.	427.5	C24H29NO6	107	710	2.6	31	1	6	8	"InChI=1S/C24H29NO6/c1-14-8-15(2)24(30)18(9-14)20(10-16-11-21(27)25-22(28)12-16)31-23(29)13-19(26)17-6-4-3-5-7-17/h3-7,14-16,18,20H,8-13H2,1-2H3,(H,25,27,28)/t14-,15-,18-,20+/m0/s1"	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)C3=CC=CC=C3)C	BCMABKOQTPATAU-BPQOCRPUSA-N
DG51199	"1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl-phenyl)-"	226783	"MLS002638560; NSC17551; CHEMBL1877472; HMS3079B21; NSC-17551; ZINC100083975; SMR001548033; 1, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- phenyl)-; 1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- phenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17551	.	.	.	.	267.32	C17H17NO2	47	354	3.1	20	0	3	4	"InChI=1S/C17H17NO2/c1-11-7-12(2)17(13(3)8-11)16(20)9-15(19)14-5-4-6-18-10-14/h4-8,10H,9H2,1-3H3"	CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CN=CC=C2)C	LVGCWHFIWIHBKH-UHFFFAOYSA-N
DG51200	"5,5-dimethyl-2-pentadecyl-3-propan-2-yl-4H-imidazole"	226857	NSC17744; SCHEMBL10491944; NSC-17744; ZINC104326505	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17744	.	.	.	.	350.6	C23H46N2	15.6	357	8.1	25	0	1	15	"InChI=1S/C23H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4,5)20-25(22)21(2)3/h21H,6-20H2,1-5H3"	CCCCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C	WCOJLACCZHOZKF-UHFFFAOYSA-N
DG51201	"2-(2-heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropan-1-ol"	226869	NSC17762; NSC-17762; ZINC104326610	.	.	Investigative Drug(s)	Investigative	Small molecular drug	17762	.	.	.	.	408.7	C26H52N2O	35.8	442	8.3	29	1	2	18	"InChI=1S/C26H52N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25(2,3)22-28(24)26(4,5)23-29/h29H,6-23H2,1-5H3"	CCCCCCCCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C	WVQBZUKUDNIVMK-UHFFFAOYSA-N
DG51202	"1-Ethoxy-5-fluoro-2,4-dinitrobenzene"	227098	NSC18286; SCHEMBL8405075; ZINC1769046; NSC-18286	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18286	.	.	.	.	230.15	C8H7FN2O5	101	277	2	16	0	6	2	"InChI=1S/C8H7FN2O5/c1-2-16-8-3-5(9)6(10(12)13)4-7(8)11(14)15/h3-4H,2H2,1H3"	CCOC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F	HPPIQFLOPHCFBP-UHFFFAOYSA-N
DG51203	"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-"	227150	"NSC18451; NSC-18451; 96176-12-4; 2-(bis(4-bromobenzyl)amino)-9H-fluoren-9-one; Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-; NCIStruc1_000363; NCIStruc2_001090; CHEMBL1476952; DTXSID80280742; NCI18451; ZINC1769251; CCG-37490; NCGC00013241; NCGC00013241-02; NCGC00096360-01; NCI60_001536"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18451	.	.	.	.	533.3	C27H19Br2NO	20.3	586	8.1	31	0	2	5	"InChI=1S/C27H19Br2NO/c28-20-9-5-18(6-10-20)16-30(17-19-7-11-21(29)12-8-19)22-13-14-24-23-3-1-2-4-25(23)27(31)26(24)15-22/h1-15H,16-17H2"	C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N(CC4=CC=C(C=C4)Br)CC5=CC=C(C=C5)Br	ISUTUHVJGVOEHQ-UHFFFAOYSA-N
DG51204	n-(7-Nitro-9h-fluoren-2-yl)formamide	227158	"MLS002638596; 6583-71-7; n-(7-nitro-9h-fluoren-2-yl)formamide; 2-FORMAMIDO-7-NITROFLUORENE; NSC18460; CHEMBL1887248; DTXSID10984322; HMS3095E24; ZINC1769260; NSC-18460; AKOS024332804; Formamide, N-(7-nitrofluoren-2-yl)-; MCULE-3855794593; SMR001548068; (7-Nitro-9H-fluoren-2-yl)methanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18460	.	.	.	.	254.24	C14H10N2O3	74.9	368	3.1	19	1	3	1	"InChI=1S/C14H10N2O3/c17-8-15-11-1-3-13-9(6-11)5-10-7-12(16(18)19)2-4-14(10)13/h1-4,6-8H,5H2,(H,15,17)"	C1C2=C(C=CC(=C2)NC=O)C3=C1C=C(C=C3)[N+](=O)[O-]	NNVUDKLVHMGGOQ-UHFFFAOYSA-N
DG51205	2-[4-[4-(Diaminomethylideneamino)phenyl]phenyl]guanidine;sulfuric acid	227281	"NSC18758; 6966-25-2; NSC-18758; NCGC00013245; Sulfuric acid compound with N-(4'-((amino(imino)methyl)amino)[1,1'-biphenyl]-4-yl)guanidine (1:1); CHEMBL1741645; DTXSID60280806; NCI18758; CCG-36877; NCGC00096364-01"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18758	.	.	.	.	366.4	C14H18N6O4S	212	399	.	25	6	6	3	"InChI=1S/C14H16N6.H2O4S/c15-13(16)19-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-14(17)18;1-5(2,3)4/h1-8H,(H4,15,16,19)(H4,17,18,20);(H2,1,2,3,4)"	C1=CC(=CC=C1C2=CC=C(C=C2)N=C(N)N)N=C(N)N.OS(=O)(=O)O	IYKWCEFBGQSXBK-UHFFFAOYSA-N
DG51206	"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone)"	227331	"NSC18877; (2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone); 7146-33-0; NSC 18877; NCIStruc1_001099; NCIStruc2_000975; 3,2,5-oxadiazole 2-oxide; SCHEMBL8738486; CHEMBL1964282; DTXSID20221674; ZINC1561925; NCI60_001570; 3,4-Bis(benzo[b]thiophene-3-ylcarbonyl)furazan 2-oxide; [4-(benzothiophene-3-carbonyl)-2-oxido-1-oxa-5-aza-2-azoniacyclopenta-2,4-dien-3-yl]-benzothiophen-3-yl-methanone; [4-(benzothiophene-3-carbonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(benzothiophen-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18877	.	.	.	.	406.4	C20H10N2O4S2	142	635	5.4	28	0	7	4	InChI=1S/C20H10N2O4S2/c23-19(13-9-27-15-7-3-1-5-11(13)15)17-18(22(25)26-21-17)20(24)14-10-28-16-8-4-2-6-12(14)16/h1-10H	C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]	VGVCAZDGILAXDP-UHFFFAOYSA-N
DG51207	Phenoxathiine-4-carbohydrazide	227334	5453-75-8; phenoxathiine-4-carbohydrazide; NSC18880; CHEMBL2000349; DTXSID50280835; ZINC1561928; NSC-18880; NCI60_001571	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18880	.	.	.	.	258.3	C13H10N2O2S	89.6	326	2.1	18	2	4	1	"InChI=1S/C13H10N2O2S/c14-15-13(16)8-4-3-7-11-12(8)17-9-5-1-2-6-10(9)18-11/h1-7H,14H2,(H,15,16)"	C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NN	XHWZCJKPJAVTSA-UHFFFAOYSA-N
DG51208	"2-(12H-benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	227337	"NSC18883; MLS000737844; NSC-18883; NCIStruc1_000969; NCIStruc2_001275; CHEMBL1485000; HMS2856F08; NCI18883; ZINC1561931; CCG-36819; NCGC00013250; NCGC00013250-02; NCGC00096369-01; NCI60_001572; SMR000528184; 2-(12H-benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18883	.	.	.	.	348.5	C22H24N2S	31.8	424	5.8	25	0	3	5	"InChI=1S/C22H24N2S/c1-3-23(4-2)15-16-24-19-11-7-8-12-20(19)25-21-14-13-17-9-5-6-10-18(17)22(21)24/h5-14H,3-4,15-16H2,1-2H3"	CCN(CC)CCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3	VKJJBAOUCOSHBQ-UHFFFAOYSA-N
DG51209	"3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamine"	227345	"NSC18891; MLS002702823; NSC-18891; 5453-77-0; 3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamine; NCIMech_000665; NCIStruc1_001139; NCIStruc2_001195; CHEMBL1446990; DTXSID70969751; 3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethylpropan-1-amine; NCI18891; ZINC1561939; CCG-35828; CCG-36842; NCGC00013251; NCGC00013251-02; NCGC00096370-01; NCI60_001573; SMR001566650"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	18891	.	.	.	.	334.5	C21H22N2S	31.8	413	5.8	24	0	3	4	"InChI=1S/C21H22N2S/c1-22(2)14-7-15-23-18-10-5-6-11-19(18)24-20-13-12-16-8-3-4-9-17(16)21(20)23/h3-6,8-13H,7,14-15H2,1-2H3"	CN(C)CCCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3	VGMOECBHITYGPM-UHFFFAOYSA-N
DG51210	Gossypol acetic acid	227456	"Gossypol acetic acid; gossypol-Acetic acid; 12542-36-8; Gossypol acetate; Acetate gossypol; 866541-93-7; Gossypol (acetic acid); AT101; (-)-Gossypol acetic acid; GOSSYPOL-ACETIC ACID COMPLEX; 5453-04-3; (R)-Gossypol acetic acid; AT-101 (acetic acid); (S)-Gossypol (acetic acid); Gossypol acetic acid clathrate; 1189561-66-7; NSC 19048; MLS000028630; MLS002702979; (R)-(-)-Gossypol acetic acid; (S)-Gossypol acetic acid; NSC19048; acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde; SMR000058743; 12542-36-8 (ACETIC ACID); acetic acid compound with (S)-1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1:1); (+/-)-Gossypol-acetic acid;BL 193 (acetic acid); 115038-46-5; NSC-19048; Gossypol acetate, (R)-; UNII-U9GNI6VT5N; Gossypol acetic acid, R-; R-(-)-gossypol acetic acid; Gossypol acetic acid, (R)-; Acetate-gossypol; Aceticacidgossypol; Gossypol xAcetate; Gossypol AcOH Salt; AT101 acetate; GOSSYPOLACETATE; AT 101 acetic acid; Opera_ID_1014; U9GNI6VT5N; SCHEMBL352576; (R)-Gossypol acetic acid salt; (S)-Gossypol acetic acid salt; CHEMBL1516388; HMS500I15; DTXSID90921593; HMS3651H13; BCP09006; BCP24040; C32H34O10; CCG-39212; HY-15464A; MFCD00058385; NSC727858; s2303; s2812; AKOS022188380; AT-101 (AT101); NSC-727858; NCGC00178279-01; (2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-(R)-5,5'-bis(1-methylethyl)-, (2R)-, compd. with acetic acid (1:1); AC-34098; AS-15487; HY-17510; P562; DB-081879; FT-0686636; FT-0768953; N2134; SW197103-3; A13578; A14795; A16323; ( inverted exclamation markA)-Gossypol-acetic acid; 542G368; A900030; A920161; J-005228; (+/-)-Gossypol-acetic acid, analytical standard, crystalline complex consisting of equimolar quantities of gossypol and acetic acid, ~95%; 1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarbaldehyde - acetic acid (1:1); 732279-26-4; acetic acid compound with 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthyl-8,8'-dicarbaldehyde (1:1); Acetic acid--1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde (1/1); AT 101 acetic acid; AT101 acetic acid;AT-101 acetic acid; (-)-Gossypol acetic acid; (R)-Gossypol acetic acid; Gossypol acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19048	.	.	.	.	578.6	C32H34O10	193	811	.	42	7	10	5	"InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)"	CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O	NIOHNDKHQHVLKA-UHFFFAOYSA-N
DG51211	"6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	227530	"NSC19139; 6958-86-7; 6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; MLS002638676; NSC-19139; 6-chloro-1-methyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine; NCIStruc1_000379; NCIStruc2_000459; CHEMBL1452389; SCHEMBL13100622; BDBM32630; DTXSID20280943; HMS3095O20; NCI19139; ZINC1562380; CCG-37997; NCGC00013256; NCGC00013256-02; NCGC00096375-01; NCI60_001603; SMR001548146; A842338; 6-chloranyl-1-methyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine; 6-chloro-1-methyl-N-(2-phenylethyl)-4-pyrazolo[3,4-d]pyrimidinamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19139	.	.	.	.	287.75	C14H14ClN5	55.6	310	3.4	20	1	4	4	"InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)"	CN1C2=NC(=NC(=C2C=N1)NCCC3=CC=CC=C3)Cl	KRNAPVRIULRUAL-UHFFFAOYSA-N
DG51212	"(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate"	227681	"MIRA-1; 72835-26-8; NSC19630; 1h-pyrrole-2,5-dione, 1-[(1-oxopropoxy)methyl]-; (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate; N-propionyloxymethyl-maleimide; 1-[(1-OXOPROPOXY)METHYL]-1H-PYRROLE-2,5-DIONE; CHEMBL1374426; NSC-19630; N-(Propionyloxymethyl)maleimide; NSC 19630; (2,5-dioxopyrrol-1-yl)methyl propanoate; NCIStruc1_000245; NCIStruc2_000173; SCHEMBL1271868; DTXSID90280990; HMS3413L06; HMS3677L06; NCI19630; XCA83526; ZINC1868509; BDBM50044626; CCG-37541; NCGC00013261; NSC758772; AKOS024457583; WRN Helicase Inhibitor, NSC 19630; NSC-758772; NCGC00013261-02; NCGC00096380-01; BS-45665; NCI60_001640; E74933; (2,5-dihydro-1H-pyrrol-1-yl)methyl propionate; 1-[(1-Oxopropoxy)methyl]-1H-pyrrole 2,5-dione; MIRA-1; WRN Helicase Inhibitor, NSC 19630 - CAS 72835-26-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19630	.	.	.	.	183.16	C8H9NO4	63.7	264	-0.1	13	0	4	4	"InChI=1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3"	CCC(=O)OCN1C(=O)C=CC1=O	YXEWPGYLMHXLPS-UHFFFAOYSA-N
DG51213	"2,3,5,6-Tetramethylpyrazine 1,4-dioxide"	227746	"MLS002638705; 22978-84-3; 2,3,5,6-tetramethylpyrazine 1,4-dioxide; NSC19727; 2,3,5,6-tetramethyl-4-oxidopyrazin-1-ium 1-oxide; CHEMBL1873824; SCHEMBL14344208; DTXSID60281015; HMS3078E17; ZINC1842822; NSC-19727; SMR001548175; 2,3,5,6-tetramethylpyrazine N,N'-dioxide; A818196; 2,3,5,6-tetramethyl-1,4-dioxidopyrazine-1,4-diium; 2,3,5,6-tetramethyl-4-oxidanidyl-pyrazin-1-ium 1-oxide; TW-Pyr-bis-N-oxide 2,3,5,6-Me4-pyrazine-1,4-dioxideC8 H12 N2 O2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19727	.	.	.	.	168.19	C8H12N2O2	46.4	247	0	12	0	3	0	InChI=1S/C8H12N2O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3	CC1=C([N+](=O)C(=C(N1[O-])C)C)C	JGDKFQZZRSSDPH-UHFFFAOYSA-N
DG51214	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid"	227754	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid; 3588-64-5; 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid; NSC19760; 38229-08-2; MFCD00023056; 2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoic acid; NSC-19760; N-phthaloyl phenylalanine; ChemDiv2_000002; CBKinase1_000078; CBKinase1_012478; Cambridge id 5108471; Oprea1_238622; Oprea1_554172; CBDivE_002612; CBDivE_003042; MLS000530140; SCHEMBL478614; 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid; CHEMBL262870; DTXSID10281020; HMS1369A02; HMS2368H16; ALBB-017693; N-PHTHALOYL-DL-PHENYLALANINE; 2-(1,3-Dioxo-2,3-Dihydro-1H-Isoindol-2-Yl)-3-Phenylpropanoic Acid; 2-phthalimido-3-phenylpropionic acid; 2084AE; STK032198; AKOS000200590; AKOS016039886; MCULE-7210664664; LS-05839; NCI60_001645; SMR000135118; EU-0000242; FT-0696199; EN300-16933; alpha-Benzyl-1,3-dioxoisoindoline-2-acetic acid; AE-641/02530020; SR-01000390313; SR-01000390313-1; BRD-A77469519-001-01-4; F1265-0123; 2H-isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19760	.	.	.	.	295.29	C17H13NO4	74.7	445	2.5	22	1	4	4	"InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)"	C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O	VAYRSTHMTWUHGE-UHFFFAOYSA-N
DG51215	Tenulin	227830	"Tenulin; NSC19942; CHEBI:9441; CHEMBL490324; (2aR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta(cd,f)azulene-3,9-dione; 55780-22-8; 19202-92-7; (2AR,4aS,6R,6aR,9aR,9bR,9cR)-2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione; DTXSID60971161; BDBM50250368; NSC 19942; NSC-19942; NCI60_001654; C09557; Q27108396; (1R,2R,6R,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione; 2-hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2H-1,4-dioxadicyclopenta[cd,f]azulene-3,9-dione; 2H-1,4-Dioxadicyclopenta(cd,f)azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, (2aR,4aS,6R,6aR,9aR,9bR,9cR)-; 2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-; 2H-1,f]azulene-3,9-dione, 2a,4a,5,6,6a,9a,9b,9c-octahydro-2-hydroxy-2,2a,6,9a-tetramethyl-, [2R-(2.alpha.,2a.alpha.,4a.alpha.,6.alpha.,6a.alpha.,9a.beta.,9b.alpha.,9c.alpha.)]-; Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19942	.	.	.	.	306.4	C17H22O5	72.8	612	0.3	22	1	5	0	"InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9+,10+,12-,13-,15+,16+,17 /m1/s1"	C[C@@H]1C[C@H]2[C@@H]3[C@H]([C@]4([C@H]1C=CC4=O)C)OC([C@@]3(C(=O)O2)C)(C)O	CNIULSUYTFOEHN-MEBIVNBJSA-N
DG51216	10-(3-(1-azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine	227840	"NSC19976; NSC-19976; 10-(3-(1-azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine; 10-[3-(1-azaspiro[4.5]dec-1-yl)propyl]-2-chloro-10H-phenothiazine; NCIStruc1_001163; NCIStruc2_001246; CHEMBL1448562; NCI19976; ZINC1843302; CCG-37443; NCGC00013264; NCGC00013264-02; NCGC00096383-01; NCI60_001656; 10-[3-(4-azaspiro[4.5]decan-4-yl)propyl]-2-chloro-phenothiazine; 10H-Phenothiazine, 10-[3-(1-azaspiro[4.5]dec-1-yl)propyl]-2-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	19976	.	.	.	.	413	C24H29ClN2S	31.8	523	7.3	28	0	3	4	"InChI=1S/C24H29ClN2S/c25-19-10-11-23-21(18-19)27(20-8-2-3-9-22(20)28-23)17-7-16-26-15-6-14-24(26)12-4-1-5-13-24/h2-3,8-11,18H,1,4-7,12-17H2"	C1CCC2(CC1)CCCN2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl	JGALTZABCXYMHO-UHFFFAOYSA-N
DG51217	5-(Butoxymethyl)-7-((4-methyl-1-piperazinyl)methyl)-8-quinolinol	227994	NSC20514; NCIMech_000725; CHEMBL2004041; 5-(Butoxymethyl)-7-((4-methyl-1-piperazinyl)methyl)-8-quinolinol; 5-(butoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol; CCG-35830; NSC-20514; ZINC19364705; NCI60_001725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	20514	.	.	.	.	343.5	C20H29N3O2	48.8	387	2.4	25	1	5	7	"InChI=1S/C20H29N3O2/c1-3-4-12-25-15-17-13-16(14-23-10-8-22(2)9-11-23)20(24)19-18(17)6-5-7-21-19/h5-7,13,24H,3-4,8-12,14-15H2,1-2H3"	CCCCOCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C)O	SOALJBSEAGNYKO-UHFFFAOYSA-N
DG51218	Pilocereine	228285	"PILOCEREINE; Pilocercine; 2552-47-8; UNII-PV5UF6M752; NSC21075; CHEBI:8208; PV5UF6M752; 6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol; 1-Isobutyl-8-((1-isobutyl-8-((1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol; 1-ISOBUTYL-8-({1-ISOBUTYL-8-[(1-ISOBUTYL-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)OXY]-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL}OXY)-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINOL; NSC 21075; C09609; Neuro_000011; CHEMBL2006650; DTXSID90948422; NSC90601; NSC-21075; NSC-90601; AKOS024427234; MCULE-4404393518; NCI60_001768; Q27107946; 1-isobutyl-8-[[1-isobutyl-8-[(1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; 6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl; 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl ]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-; 7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]- (VA"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21075	.	.	.	.	744	C45H65N3O6	76.1	1160	9.3	54	1	9	13	"InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3"	CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C	AFQDIEHIPKSXRL-UHFFFAOYSA-N
DG51219	"N,N-bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide"	228424	MLS003389379; 7155-39-7; NSC21356; CHEMBL2140561; DTXSID10281343; ZINC4692466; NSC-21356; SMR002049033	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21356	.	.	.	.	342.35	C16H18N6O3	115	400	2.6	25	4	7	8	"InChI=1S/C16H18N6O3/c23-15(19-17-13-7-3-1-4-8-13)11-22(21-25)12-16(24)20-18-14-9-5-2-6-10-14/h1-10,17-18H,11-12H2,(H,19,23)(H,20,24)"	C1=CC=C(C=C1)NNC(=O)CN(CC(=O)NNC2=CC=CC=C2)N=O	GMCWBXDBYUUHBM-UHFFFAOYSA-N
DG51220	"(2,4,7-trimethyl-1H-indol-3-yl)acetic acid"	228480	"(2,4,7-trimethyl-1H-indol-3-yl)acetic acid; 5435-43-8; 2-(2,4,7-trimethyl-1H-indol-3-yl)acetic acid; NSC21434; NSC-21434; NCIStruc1_000377; NCIStruc2_000417; CHEMBL1322207; DTXSID80281375; ALBB-007622; NCI21434; ZINC1577691; 5305AE; CCG-38029; MFCD02664368; NCGC00013274; STK501135; AKOS000505705; MCULE-4764160154; NCGC00013274-02; NCGC00096393-01; LS-02834; NCI60_001793; DB-030325; BB 0248913; CS-0315847; FT-0679350; (2,4,7-TRIMETHYL-1H-INDOL-3-YL)-ACETIC ACID; (2,4,7-Trimethyl-1H-indol-3-yl)-acetic acid, AldrichCPR"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21434	.	.	.	.	217.26	C13H15NO2	53.1	279	2.6	16	2	2	2	"InChI=1S/C13H15NO2/c1-7-4-5-8(2)13-12(7)10(6-11(15)16)9(3)14-13/h4-5,14H,6H2,1-3H3,(H,15,16)"	CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)O	FOYXJMABOXFXKS-UHFFFAOYSA-N
DG51221	2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol	228534	NSC21518; 6936-44-3; NSC-21518; 2-tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol; NCIStruc1_000528; NCIStruc2_000611; CHEMBL1437281; SCHEMBL13038115; DTXSID60281398; NCI21518; ZINC1583659; CCG-38110; NCGC00013276; NCGC00013276-02; NCGC00096395-01; NCI60_001796	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21518	.	.	.	.	249.39	C16H27NO	23.5	254	4.2	18	1	2	4	"InChI=1S/C16H27NO/c1-11(2)12-8-13(10-17(6)7)15(18)14(9-12)16(3,4)5/h8-9,11,18H,10H2,1-7H3"	CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN(C)C	GVUNWVGYJROCEX-UHFFFAOYSA-N
DG51222	"4,4-Bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid"	228569	"4,4-bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid; NSC21588; NSC-21588; 16733-29-2; NCIStruc1_000405; NCIStruc2_000107; CHEMBL1611308; SCHEMBL14286207; DTXSID40281412; NCI21588; ZINC3953896; CCG-36336; NCGC00013277; AKOS024428966; 3,3',5,5'-Tetrabromodiphenolic acid; MCULE-1426678982; Benzenebutanoic acid,3,5-dibromo-g-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-g-methyl-; NCGC00013277-02; NCGC00096396-01; NCI60_001803; DS-010108; 4,4-BIS(3,5-DIBROMO-4-HYDROXYPHENYL)VALERIC ACID"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21588	.	.	.	.	601.9	C17H14Br4O4	77.8	424	6.1	25	3	4	5	"InChI=1S/C17H14Br4O4/c1-17(3-2-14(22)23,8-4-10(18)15(24)11(19)5-8)9-6-12(20)16(25)13(21)7-9/h4-7,24-25H,2-3H2,1H3,(H,22,23)"	CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br	OFLOJYUEVWVCRY-UHFFFAOYSA-N
DG51223	"2-Bromophenazine 5,10-dioxide"	228612	"2-Bromophenazine 5,10-dioxide; 6975-74-2; NSC21662; CHEMBL1990500; DTXSID80281431; ZINC4692632; NSC-21662"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21662	.	.	.	.	291.1	C12H7BrN2O2	46.4	326	2	17	0	3	0	InChI=1S/C12H7BrN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h1-7H	C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Br)[O-]	QHADQMGMNWVWKS-UHFFFAOYSA-N
DG51224	Phenazine di-N-oxide	228615	"Phenazine di-N-oxide; 303-83-3; Phenazine, 5,10-dioxide; 10-oxidophenazin-5-ium 5-oxide; Phenazine 5,10-dioxide; Phenazine N,N'-dioxide; NSC21666; NSC 21666; Phenazine,10-dioxide; AI3-60114; phenazine-5,10-dioxide; CBDivE_004576; SCHEMBL6919829; YSCK0052; CHEMBL1971077; DTXSID20184391; ZINC4159277; NSC-21666; AKOS002346527; AB00682028-01; PHENAZINE-5,10-DIIUM-5,10-BIS(OLATE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21666	.	.	.	.	212.2	C12H8N2O2	46.4	241	1.3	16	0	3	0	InChI=1S/C12H8N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H	C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]	ZMFJCQAPRNRDSK-UHFFFAOYSA-N
DG51225	"2-Methoxyphenazine, 5,10-dioxide"	228616	"303-78-6; 2-Methoxyphenazine, 5,10-dioxide; NSC54765; 2-Methoxyphenazine,10-dioxide; CHEMBL1966308; SCHEMBL20269368; DTXSID00281433; 2-Methoxyphenazine 5,10-dioxide; NSC21669; ZINC4692635; NSC-21669; NSC-54765; Phenazine (8CI 9CI), 5,10-dioxide; NCI60_004348"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21669	.	.	.	.	242.23	C13H10N2O3	55.6	336	1.3	18	0	4	1	"InChI=1S/C13H10N2O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3"	COC1=CC2=C(C=C1)[N+](=O)C3=CC=CC=C3N2[O-]	KEQNUKOWWOSBSJ-UHFFFAOYSA-N
DG51226	"5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-amine"	228622	"NSC21681; MLS002638805; 5460-43-5; 5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-amine; NSC 21681; CHEMBL1727970; CHEMBL1964951; HMS3086P15; ZINC8613392; NSC-21681; STL437892; ZINC17149629; ZINC96319570; AKOS005220743; MCULE-7083798229; NCI60_001810; SMR001548270; 5-imino-4-[(E)-(4-methoxyphenyl)azo]-2-methyl-1H-pyrazol-3-amine; (4E)-4-[2-(4-methoxyphenyl)hydrazinylidene]-1-methylpyrazolidine-3,5-diimine; 5-Imino-4-((4-methoxyphenyl)diazenyl)-2-methyl-2,5-dihydro-1H-pyrazol-3-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21681	.	.	.	.	246.27	C11H14N6O	104	291	1.3	18	2	6	3	"InChI=1S/C11H14N6O/c1-17-11(13)9(10(12)16-17)15-14-7-3-5-8(18-2)6-4-7/h3-6H,13H2,1-2H3,(H2,12,16)"	CN1C(=C(C(=N1)N)N=NC2=CC=C(C=C2)OC)N	NWQQBZKPONFZBT-UHFFFAOYSA-N
DG51227	"3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone"	228624	"MLS000737993; 3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone; MLS000701268; 5456-92-8; 4-[(4-methylphenyl)diazenyl]-1-phenylpyrazole-3,5-diamine; SMR000225522; NSC21683; CHEMBL1602538; CHEMBL4296833; BDBM49643; cid_6403437; DTXSID20423318; HMS2580N16; NSC-21683; STL437902; ZINC16969599; ZINC17206546; (4Z)-5-imino-4-[(4-methylphenyl)hydrazinylidene]-1-phenylpyrazol-3-amine; AKOS005220813; ZINC100365346; ZINC252599393; MCULE-2094170111; AG-205/08692002; (4Z)-5-imino-4-[(4-methylphenyl)hydrazinylidene]-1-phenyl-3-pyrazolamine; (4E)-4-[2-(4-methylphenyl)hydrazinylidene]-1-phenylpyrazolidine-3,5-diimine; (4Z)-5-azanylidene-4-[(4-methylphenyl)hydrazinylidene]-1-phenyl-pyrazol-3-amine; [(Z)-(3-amino-5-imino-1-phenyl-2-pyrazolin-4-ylidene)amino]-(p-tolyl)amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21683	.	.	.	.	292.34	C16H16N6	94.6	373	3.3	22	2	5	3	"InChI=1S/C16H16N6/c1-11-7-9-12(10-8-11)19-20-14-15(17)21-22(16(14)18)13-5-3-2-4-6-13/h2-10H,18H2,1H3,(H2,17,21)"	CC1=CC=C(C=C1)N=NC2=C(N(N=C2N)C3=CC=CC=C3)N	LQUJINAWYUSZNG-UHFFFAOYSA-N
DG51228	4-Chlorophenyl trichloromethyl sulfone	228635	NSC21715; SCHEMBL2323918; ZINC1583779; MFCD31009115; NSC-21715; 4-Chlorophenyl trichloromethyl sulfone; Trichloromethyl(4-chlorophenyl) sulfone; 117992-53-7	.	.	Investigative Drug(s)	Investigative	Small molecular drug	21715	.	.	.	.	294	C7H4Cl4O2S	42.5	282	3	14	0	2	1	"InChI=1S/C7H4Cl4O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H"	C1=CC(=CC=C1S(=O)(=O)C(Cl)(Cl)Cl)Cl	PJNHKVGTQYJHKQ-UHFFFAOYSA-N
DG51229	"1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione"	229013	"93657-41-1; QUZ9ZL4FJE; UNII-QUZ9ZL4FJE; NSC22348; 1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione; 1-(4-Bromophenyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione; NSC 22348; SCHEMBL6304983; CHEMBL1973303; DTXSID40239498; NSC-22348; NCI60_001844; 1H-Naphth[2,9-dione, 1-(4-bromophenyl)-2-methyl-; 1H-Naphth[2,9-dione, 1-(p-bromophenyl)- 2-methyl-; 3-(4-bromophenyl)-2-methyl-benzo[f]benzimidazole-4,9-dione; 1-(4-Bromophenyl)-2-methyl-1H-naphth[2,3-d]imidazole-4,9-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	22348	.	.	.	.	367.2	C18H11BrN2O2	52	503	4.4	23	0	3	1	"InChI=1S/C18H11BrN2O2/c1-10-20-15-16(21(10)12-8-6-11(19)7-9-12)18(23)14-5-3-2-4-13(14)17(15)22/h2-9H,1H3"	CC1=NC2=C(N1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4C2=O	APVKJXLEZCSCCT-UHFFFAOYSA-N
DG51230	"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate"	229453	"NSC23159; methyl 11,12-dibromo-3,9-epoxycholan-24-oate; 23405-11-0; NSC-23159; CHEMBL2005733; DTXSID30946063; NCI60_001875; methyl 4-(2,3-dibromo-4,17-dimethyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadecan-5-yl)pentanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23159	.	.	.	.	546.4	C25H38Br2O3	35.5	715	6.9	30	0	3	5	"InChI=1S/C25H38Br2O3/c1-14(5-10-20(28)29-4)17-8-9-18-19-7-6-15-13-16-11-12-23(15,2)25(19,30-16)22(27)21(26)24(17,18)3/h14-19,21-22H,5-13H2,1-4H3"	CC(CCC(=O)OC)C1CCC2C1(C(C(C34C2CCC5C3(CCC(C5)O4)C)Br)Br)C	XRRHDGKBIMJRKD-UHFFFAOYSA-N
DG51231	Nandrolone phenpropionate	229455	"Nandrolone phenpropionate; nandrolone phenylpropionate; 62-90-8; Nortestosterone phenylpropionate; Nadrolone phenylpropionate; Nandrolon phenylpropionate; Fenobolin; Nandrolin; Nerobolil; Norandrostenolone phenylpropionate; Superanabolon; Phenobolin; Norandrolone phenyl propionate; NTPP; Durabolin; 19Ntpp; Norandrolone phenylpropionate; Nandrolone Phenylpionate; UNII-KF7Z9K2T3W; Nandrobolic; Strabolene; 19-Nortestosterone, hydrocinnamate; 19-Nortestosterone phenylpropionate; 19-Nortestosterone phenyl propionate; 19-Norandrostenolone phenylpropionate; KF7Z9K2T3W; Activin; Nerobil; SK 22271; CHEBI:7468; [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate; Nandrolone phenpropionate [USP]; (17beta)-3-oxoestr-4-en-17-yl 3-phenylpropanoate; Anticatabolin; Estr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17b)-; DSSTox_CID_3353; DSSTox_RID_76989; DSSTox_GSID_23353; Nandrolone phenpropionate (USP); Sintabolin; Anabosan; Equibolin; Hybolin; Norandrol; CAS-62-90-8; Durabolin-50; 17b-hydroxyestr-4-en-3-one 17-(3-phenylpropionate); Activine; NSC-23162; Durabolin (TN); NCGC00159356-02; EINECS 200-551-9; NSC 23162; 17-(1-oxo-3-phenylpropoxy)estr-4-en-3-one; 17.beta.-Phenylpropionyloxy-4-estrene-3-one; BRN 3170861; 17-.beta.-hydroxyestr-4-en-3-one hydrocinnamate; 17-beta-Phenylpropionyloxy-4-estren-3-one; 17beta-Phenylpropionyloxy-4-estrene-3-one; 17beta-Hydroxyestr-4-en-3-one hydrocinnamate; 17-beta-hydroxyestr-4-en-3-one hydrocinnamate; SCHEMBL8443; 3-Oxo-4-estren-17beta-yl-(3-phenylpropionat); 4-09-00-01758 (Beilstein Handbook Reference); Nortestosterone Furanpropionate; 17-beta-Hydroxy-estra-4-en-3-one, 17-phenylpropionate; CHEMBL1200412; DTXSID2023353; 17-beta-Hydroxyestr-4-en-3-one 17-(3-phenylpropionate); Estr-4-ene-3-one, 17-beta-hydroxy-, 3-phenylpropionate; Estr-4-en-3-one, hydrocinnamate; Nandrolone phenylpropionate (JAN); Estr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17beta)-; (8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 3-phenylpropanoate; NSC23162; ZINC3881613; Tox21_113342; AKOS015888240; Tox21_113342_1; DB00984; DS-3294; NCGC00274069-01; 3-oxoestr-4-en-17beta-yl 3-phenylpropanoate; C08155; D00956; 198N407; Q4312826; W-104946; 17-(1-oxo-3-phenylpropoxy)estr-4-en-3-one (9CI); ESTR-4-EN-3-ONE, 17-beta-HYDROXY-, HYDROCINNAMATE; Estr-4-en-3-one, 17beta-hydroxy-, hydrocinnamate (8CI); (1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl 3-phenylpropanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23162	.	.	.	.	406.6	C27H34O3	43.4	703	5.1	30	0	3	5	"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35	UBWXUGDQUBIEIZ-QNTYDACNSA-N
DG51232	4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid	229459	NSC23173; 5454-41-1; NSC-23173; NCIStruc1_001249; NCIStruc2_001157; CHEMBL1410175; DTXSID50281822; NCI23173; ZINC3953903; CCG-36879; NCGC00013293; ZINC12671269; NCGC00013293-02; NCGC00096410-01; NCI60_001879; 4-((2-(acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23173	.	.	.	.	356.4	C22H16N2O3	78.8	609	3.6	27	2	4	3	"InChI=1S/C22H16N2O3/c1-13(25)23-16-10-11-18-17-4-2-3-5-19(17)21(20(18)12-16)24-15-8-6-14(7-9-15)22(26)27/h2-12H,1H3,(H,23,25)(H,26,27)"	CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(=O)O	GWEBVBWBASDHFZ-UHFFFAOYSA-N
DG51233	"N-(3-methylphenyl)-2,4,7-trinitrofluoren-9-imine"	229543	MLS002638937; 5455-09-4; NSC23297; CHEMBL1722933; SCHEMBL14922778; DTXSID90281866; HMS3085A12; NSC-23297; ZINC22247814; ZINC84459793; SMR001548397	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23297	.	.	.	.	404.3	C20H12N4O6	150	741	4.6	30	0	7	1	"InChI=1S/C20H12N4O6/c1-11-3-2-4-12(7-11)21-20-16-8-13(22(25)26)5-6-15(16)19-17(20)9-14(23(27)28)10-18(19)24(29)30/h2-10H,1H3"	CC1=CC(=CC=C1)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]	TXXZCDVOLGIYSQ-UHFFFAOYSA-N
DG51234	1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid	229831	NSC23833; NSC-23833; NCIStruc1_001011; NCIStruc2_001117; CHEMBL1515789; NCI23833; NCGC00013299; NCGC00013299-02; NCGC00096416-01; NCI60_001913; 1-(((4-methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	23833	.	.	.	.	359.4	C19H21NO4S	86	476	1.3	25	1	6	5	"InChI=1S/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23)24-20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)"	CC1=CC=C(C=C1)S(=O)ON2CCC(CC2)(C3=CC=CC=C3)C(=O)O	AUNZEEIWDQBQHT-UHFFFAOYSA-N
DG51235	"p-Phenylenediamine (8CI), N-butyl-N'-phenyl-"	229938	"1-N-butyl-4-N-phenylbenzene-1,4-diamine; p-Phenylenediamine (8CI), N-butyl-N'-phenyl-; 15464-99-0; NSC24030; 1, N-butyl-N'-phenyl-; SCHEMBL1849170; DTXSID10935031; ZINC1608815; NSC-24030; N-Butyl-N'-phenyl-p-phenylenediamine; N~1~-Butyl-N~4~-phenylbenzene-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24030	.	.	.	.	240.34	C16H20N2	24.1	203	4.7	18	2	2	6	"InChI=1S/C16H20N2/c1-2-3-13-17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-12,17-18H,2-3,13H2,1H3"	CCCCNC1=CC=C(C=C1)NC2=CC=CC=C2	PIPXINMICYUFAD-UHFFFAOYSA-N
DG51236	"3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine"	229969	"NSC24113; MLS002702828; NSC-24113; 5459-31-4; 3-(8-chloro-7H-benzo[c]phenothiazin-7-yl)-N,N-dimethyl-1-propanamine; NCIMech_000745; NCIStruc1_001251; NCIStruc2_001032; CHEMBL1600497; DTXSID10282077; NCI24113; ZINC1608874; CCG-36003; CCG-37159; NCGC00013308; NCGC00013308-02; NCGC00096425-01; NCI60_001935; SMR001566655"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24113	.	.	.	.	368.9	C21H21ClN2S	31.8	446	6	25	0	3	4	"InChI=1S/C21H21ClN2S/c1-23(2)13-6-14-24-18-12-11-15-7-3-4-8-16(15)21(18)25-19-10-5-9-17(22)20(19)24/h3-5,7-12H,6,13-14H2,1-2H3"	CN(C)CCCN1C2=C(C3=CC=CC=C3C=C2)SC4=C1C(=CC=C4)Cl	YQQOWRFAYJNTDF-UHFFFAOYSA-N
DG51237	Aureolic acid	230076	plicamycin; mithramycin a; Aureolic acid; 18378-89-7; NSC24559; Neuro_000012; CHEMBL1881779; SCHEMBL13840953; BCP22028; NCGC00181147-01; NCGC00181147-02; NCGC00181147-03; NCI60_001964; FT-0628952; Mithramycin A pound>>Mithramycin pound>>Mitramycin	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24559	.	.	.	.	1085.1	C52H76O24	358	1940	0.6	76	11	24	15	"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3"	CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O	CFCUWKMKBJTWLW-UHFFFAOYSA-N
DG51238	"2,4,7-Tribromotropone"	230132	"MLS002639008; 2,4,7-tribromocyclohepta-2,4,6-trien-1-one; 29798-82-1; SMR001548464; 2,4,7-Tribromotropone; NSC24692; cid_230132; CHEMBL1732235; BDBM83272; DTXSID60952233; HMS3093H15; ZINC1614594; NSC-24692; AKOS024406368; MCULE-7667017807; 2,4,7-tribromo-1-cyclohepta-2,4,6-trienone; 2,4,7-Tribromo-2,4,6-cycloheptatrien-1-one; 2,4,7-Tribromo-2,4,6-cycloheptatriene-1-one; 2,4,7-Tribromo-2,4,6-cycloheptatrien-1-one #; 2,4,7-tris(bromanyl)cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24692	.	.	.	.	342.81	C7H3Br3O	17.1	286	3.8	11	0	1	0	InChI=1S/C7H3Br3O/c8-4-1-2-5(9)7(11)6(10)3-4/h1-3H	C1=C(C=C(C(=O)C(=C1)Br)Br)Br	MXXSTRTVSOUGQE-UHFFFAOYSA-N
DG51239	2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate	230220	"4248-79-7; 2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate; NSC268965; Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-; NSC24820; NSC 268965; NCIMech_000371; Neuro_000134; SCHEMBL1298937; CHEMBL1976624; DTXSID00195268; ZINC1615308; 2-[4-formyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; CCG-35565; NSC-24820; NSC-268965; NCI60_002179; DS-003357; 4-[bis[2-[(methylsulfonyl)-oxy]ethyl]amino]-benzaldehyde; Benzaldehyde, {4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268965	.	.	.	.	365.4	C13H19NO7S2	124	516	0.4	23	0	8	10	"InChI=1S/C13H19NO7S2/c1-22(16,17)20-9-7-14(8-10-21-23(2,18)19)13-5-3-12(11-15)4-6-13/h3-6,11H,7-10H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=O	DCAJFQDHDVTBOS-UHFFFAOYSA-N
DG51240	l-Arctigenin	230232	"l-Arctigenin; NSC659370; ARCTIGENIN,(L); SCHEMBL381821; CHEMBL1966556; BCP13291; NSC24871; NSC-24871; AKOS015960491; 2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R,4R); AC-11096; NCI60_001985; J3.588.084D; 3-Vanillyl-4-(3,4-dimethoxybenzyl)4,5-dihydro2(3H)-furanone; 4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone; 4-(3,4-Dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydro-2(3H)-furanone #; Dihydrofuran-2-one, 4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)-; 4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	24871	.	.	.	.	372.4	C21H24O6	74.2	483	3.6	27	1	6	7	"InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3"	COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC	NQWVSMVXKMHKTF-UHFFFAOYSA-N
DG51241	Isoquinolin-1-yl-(4-methoxyphenyl)-phenylmethanol	230510	NSC25454; CHEMBL1977765; NSC-25454; NCI60_002041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25454	.	.	.	.	341.4	C23H19NO2	42.4	442	4.4	26	1	3	4	"InChI=1S/C23H19NO2/c1-26-20-13-11-19(12-14-20)23(25,18-8-3-2-4-9-18)22-21-10-6-5-7-17(21)15-16-24-22/h2-16,25H,1H3"	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O	SJOGTWBIIGPFCI-UHFFFAOYSA-N
DG51242	"1-(aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine"	230621	NSC25703; CHEMBL1972048; ZINC4537191; NSC-25703; ZINC102948314; ZINC104337285	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25703	.	.	.	.	636.8	C45H40N4	30.7	930	9.3	49	0	2	12	"InChI=1S/C45H40N4/c1-5-13-36(14-6-1)42(37-15-7-2-8-16-37)44(48-29-30-48)46-40-25-21-34(22-26-40)33-35-23-27-41(28-24-35)47-45(49-31-32-49)43(38-17-9-3-10-18-38)39-19-11-4-12-20-39/h1-28,42-43H,29-33H2"	C1CN1C(=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C(C(C4=CC=CC=C4)C5=CC=CC=C5)N6CC6)C(C7=CC=CC=C7)C8=CC=CC=C8	ZMQAGNTVNFAVCU-UHFFFAOYSA-N
DG51243	"2,4-Dinitrophenyl 4-methylbenzenesulfonate"	230690	"742-25-6; 2,4-dinitrophenyl 4-methylbenzenesulfonate; (2,4-dinitrophenyl) 4-methylbenzenesulfonate; 2,4-dinitrophenyl p-toluenesulfonate; Phenol,2,4-dinitro-, 1-(4-methylbenzenesulfonate); 2,4-Dinitrophenyl 4-methylbenzene-1-sulfonate; NSC25830; CBDivE_002081; SCHEMBL5148413; DTXSID20282422; ZINC1628058; NSC-25830; 2,4-dinitrophenyl 4-toluenesulfonate; AKOS003670447; MCULE-4706461120; 1-(2,4-Dinitrophenoxysulfonyl)-4-methylbenzene; 1-(4-methylphenyl)sulfonyloxy-2,4-dinitrobenzene; SR-01000195135; SR-01000195135-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25830	.	.	.	.	338.29	C13H10N2O7S	143	540	3	23	0	7	3	"InChI=1S/C13H10N2O7S/c1-9-2-5-11(6-3-9)23(20,21)22-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	NQXDAKVRYHXNPE-UHFFFAOYSA-N
DG51244	"2-Nitrophenyl 2,4,6-trimethylbenzene-1-sulfonate"	230706	"MLS002639077; NSC25846; CHEMBL1880805; HMS3093J17; ZINC1628074; NSC-25846; AS-0444; SMR001548529; 2-nitrophenyl 2,4,6-trimethylbenzene-1-sulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	25846	.	.	.	.	321.3	C15H15NO5S	97.6	483	3.9	22	0	5	3	"InChI=1S/C15H15NO5S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-14-7-5-4-6-13(14)16(17)18/h4-9H,1-3H3"	CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C	QCCDASOPVJFNAY-UHFFFAOYSA-N
DG51245	1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid	230791	NSC26074; 7355-65-9; NSC-26074; CHEMBL2006373; DTXSID20282482; NCI60_002082; 1-(4-chloro-1-naphthyl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26074	.	.	.	.	421.9	C21H24ClNO4S	86.2	453	.	28	2	5	4	"InChI=1S/C14H16ClNO.C7H8O3S/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,14,17H,9H2,1-2H3;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O	VAGOADMLDBRNCD-UHFFFAOYSA-N
DG51246	5-Chloro-2h-chromen-2-one	230978	"5-chloro-2h-chromen-2-one; 38169-98-1; 5-Chlorocoumarin; 5-chlorochromen-2-one; 2H-1-Benzopyran-2-one, 5-chloro-; NSC26427; 5-chloranylchromen-2-one; 5-chloro-1-benzopyran-2-one; CHEMBL1964466; SCHEMBL11035090; DTXSID80282544; ZINC1628459; NSC-26427; NCI60_002118; DB-082871; FT-0761625; A827125"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26427	.	.	.	.	180.59	C9H5ClO2	26.3	225	2.5	12	0	2	0	InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H	C1=CC2=C(C=CC(=O)O2)C(=C1)Cl	VYFHMNIBSWVKIH-UHFFFAOYSA-N
DG51247	"4,5,6-Trichloro-2-methylpyrimidine"	231054	"4,5,6-Trichloro-2-methylpyrimidine; 1780-28-5; 4,5,6-trichloro-2-methyl-pyrimidine; NSC26540; NSC 26540; trichloro methylpyrimidine; SCHEMBL376722; CHEMBL1993670; DTXSID20170411; 2-Methyl-4,6-trichloropyrimidine; 2-Methyl-4,6-trichloropyrimidine;; BAA78028; ZINC1633981; 2-Methyl-4,5,6-trichloropyrimidine; 9341AA; MFCD12405315; NSC-26540; Pyrimidine,5,6-trichloro-2-methyl-; AKOS015851267; LE-0732; MCULE-5460345901; SB56181; NCI60_002129; DB-058012; CS-0308093; FT-0682698; A881426; J-514061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26540	.	.	.	.	197.45	C5H3Cl3N2	25.8	110	3.2	10	0	2	0	InChI=1S/C5H3Cl3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3	CC1=NC(=C(C(=N1)Cl)Cl)Cl	MLXZCYRURHJFLL-UHFFFAOYSA-N
DG51248	"4,5-Bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one"	231112	"4,5-bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one; 5471-41-0; MLS000738063; NSC26692; CHEMBL1451487; HMS2768I09; NSC-26692; SMR000393735; 4,5-bis(4-Methoxyphenyl)-1H-imidazol-2(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26692	.	.	.	.	296.32	C17H16N2O3	59.9	422	2.8	22	1	3	4	"InChI=1S/C17H16N2O3/c1-21-13-7-3-11(4-8-13)15-16(19-17(20)18-15)12-5-9-14(22-2)10-6-12/h3-10,15H,1-2H3,(H,18,20)"	COC1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=C(C=C3)OC	FYTWLGPRDSDFFN-UHFFFAOYSA-N
DG51249	"N-(4-Acetylimino-1-oxo-1,4-dihydro-2-naphthyl)acetamide"	231115	"NSC26697; CHEMBL1970499; NSC-26697; ZINC16970783; ZINC104338676; NCI60_002152; N-(4-Acetylimino-1-oxo-1,4-dihydro-2-naphthyl)acetamide; N-[(1E)-3-(Acetylamino)-4-oxonaphthalenylidene]acetamide #; N-[4-(Acetylimino)-1-oxo-1,4-dihydronaphthalene-2-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26697	.	.	.	.	256.26	C14H12N2O3	75.6	491	1.4	19	1	3	1	"InChI=1S/C14H12N2O3/c1-8(17)15-12-7-13(16-9(2)18)14(19)11-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,16,18)"	CC(=O)NC1=CC(=NC(=O)C)C2=CC=CC=C2C1=O	IPDPPISLQQOKEV-UHFFFAOYSA-N
DG51250	"Acetophenone, 2-phenyl-2-(4-methylphenylamino)"	231205	"MLS002639153; Acetophenone, 2-phenyl-2-(4-methylphenylamino); NSC26933; 78604-82-7; CHEMBL1876481; HMS3080K07; NSC-26933; 1,2-Diphenyl-2-(p-tolylamino)ethanone; SMR001548603"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	26933	.	.	.	.	301.4	C21H19NO	29.1	360	5.4	23	1	2	5	"InChI=1S/C21H19NO/c1-16-12-14-19(15-13-16)22-20(17-8-4-2-5-9-17)21(23)18-10-6-3-7-11-18/h2-15,20,22H,1H3"	CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3	OKDKHOBYMXHNMN-UHFFFAOYSA-N
DG51251	1-(Bromo(1-naphthyl)methyl)naphthalene	231626	"1-(bromo(1-naphthyl)methyl)naphthalene; NSC28081; NSC-28081; 5467-20-9; CHEMBL512832; 1,1'-(Bromomethylene)dinaphthalene; dinaphthylbromomethane; NCIStruc1_001175; NCIStruc2_001236; SCHEMBL11444158; DTXSID10969957; 1,1'-Bromomethylenebisnaphthalene; NCI28081; ZINC1646279; BDBM50262189; CCG-36823; NCGC00013347; NCGC00013347-02; NCGC00096464-01; NCI60_002284; J3.656.556J"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28081	.	.	.	.	347.2	C21H15Br	0	331	6.7	22	0	0	2	"InChI=1S/C21H15Br/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21H"	C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)Br	JTXUIHPHBAGZMF-UHFFFAOYSA-N
DG51252	"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate"	231714	MLS002639224; SMR001548671; NSC28365; cid_231714; CHEMBL1702005; BDBM94642; HMS3080I13; NSC-28365; SR-01000879345; SR-01000879345-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28365	.	.	.	.	428.4	C26H20O6	78.9	785	2.7	32	0	6	7	"InChI=1S/C26H20O6/c1-15(27)30-19-10-8-18(9-11-19)25-21-6-4-5-7-23(21)26(25,32-17(3)29)24-14-20(31-16(2)28)12-13-22(24)25/h4-14H,1-3H3"	CC(=O)OC1=CC=C(C=C1)C23C4=C(C2(C5=CC=CC=C35)OC(=O)C)C=C(C=C4)OC(=O)C	VYVDPFREHHCGMM-UHFFFAOYSA-N
DG51253	Cyclohexylmethanamine;cyclohexylmethylcarbamic acid	231799	NSC28527; NSC-28527; CHEMBL1454809; NCI28527; CCG-38079; cyclohexylmethylcarbamic acid compound with cyclohexylmethanamine (1:1); NCGC00013353; NCGC00013353-02; NCGC00096470-01; NCI60_002337	.	.	Investigative Drug(s)	Investigative	Small molecular drug	28527	.	.	.	.	270.41	C15H30N2O2	75.4	186	.	19	3	3	3	"InChI=1S/C8H15NO2.C7H15N/c10-8(11)9-6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11);7H,1-6,8H2"	C1CCC(CC1)CN.C1CCC(CC1)CNC(=O)O	GCDRSMRLAAOGCB-UHFFFAOYSA-N
DG51254	"2,5-Bis(2,4-dimethylphenyl)hydroquinone"	232011	"5465-46-3; NSC29013; SCHEMBL1758394; DTXSID90282974; ZINC1651900; NSC-29013; 2,5-bis(2,4-dimethylphenyl)hydroquinone; 2,2'',4,4''-Tetramethyl-1,1':4',1''-terbenzene-2',5'-diol; 1~2~,1~4~,3~2~,3~4~-Tetramethyl[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29013	.	.	.	.	318.4	C22H22O2	40.5	371	5.9	24	2	2	2	"InChI=1S/C22H22O2/c1-13-5-7-17(15(3)9-13)19-11-22(24)20(12-21(19)23)18-8-6-14(2)10-16(18)4/h5-12,23-24H,1-4H3"	CC1=CC(=C(C=C1)C2=CC(=C(C=C2O)C3=C(C=C(C=C3)C)C)O)C	FTGCTVWKHSDTEQ-UHFFFAOYSA-N
DG51255	"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol"	232016	"5465-50-9; NSC29018; 2,5-bis(2,4,6-trimethylphenyl)benzene-1,4-diol; DTXSID30282978; ZINC1651907; NSC-29018"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29018	.	.	.	.	346.5	C24H26O2	40.5	397	6.7	26	2	2	2	"InChI=1S/C24H26O2/c1-13-7-15(3)23(16(4)8-13)19-11-22(26)20(12-21(19)25)24-17(5)9-14(2)10-18(24)6/h7-12,25-26H,1-6H3"	CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C=C(C=C3C)C)C)O)C	QLGVXKFPOKNNFD-UHFFFAOYSA-N
DG51256	Ethyl 2-(anilinocarbamoyloxy)benzoate	232136	MLS002639268; NSC29182; CHEMBL1714076; HMS3078H09; ZINC1652022; NSC-29182; SMR001548714	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29182	.	.	.	.	300.31	C16H16N2O4	76.7	369	3.3	22	2	5	7	"InChI=1S/C16H16N2O4/c1-2-21-15(19)13-10-6-7-11-14(13)22-16(20)18-17-12-8-4-3-5-9-12/h3-11,17H,2H2,1H3,(H,18,20)"	CCOC(=O)C1=CC=CC=C1OC(=O)NNC2=CC=CC=C2	WIQLDOABYYWJBA-UHFFFAOYSA-N
DG51257	"N'-(4-fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide"	232328	MLS002639293; NSC29638; CHEMBL1883915; HMS3089P19; NSC-29638; SMR001548738; 2263-58-3	.	.	Investigative Drug(s)	Investigative	Small molecular drug	29638	.	.	.	.	331.4	C16H14FN3O2S	95.5	443	2.7	23	3	5	4	"InChI=1S/C16H14FN3O2S/c17-10-5-7-11(8-6-10)19-20-15(21)9-14-16(22)18-12-3-1-2-4-13(12)23-14/h1-8,14,19H,9H2,(H,18,22)(H,20,21)"	C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NNC3=CC=C(C=C3)F	HWUGMQFMAKVBQO-UHFFFAOYSA-N
DG51258	4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol	232780	NSC30712; MLS000737618; NSC-30712; 7251-19-6; NCIStruc1_000614; NCIStruc2_000447; CHEMBL1554411; CHEMBL1989745; HMS2765M17; NCI30712; CCG-38081; NCGC00013372; ZINC13120159; ZINC22910942; NCGC00013372-02; NCGC00096488-01; NCI60_002625; SMR000393789; 4-((2-hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30712	.	.	.	.	269.34	C17H19NO2	52.8	329	4	20	2	3	3	"InChI=1S/C17H19NO2/c1-11(2)14-9-15(12(3)8-17(14)20)18-10-13-6-4-5-7-16(13)19/h4-11,19-20H,1-3H3"	CC1=CC(=C(C=C1N=CC2=CC=CC=C2O)C(C)C)O	HYTXEOFJVZEFSX-UHFFFAOYSA-N
DG51259	"2,4,6-Trichloro-5-methylpyrimidine"	232789	"2,4,6-Trichloro-5-methylpyrimidine; 1780-36-5; methylpyrimidine; 2,4,6-Trichloro-5-; Pyrimidine, 2,4,6-trichloro-5-methyl-; 5-Methyl-2,4,6-trichloropyrimidine; MFCD00233525; NSC30722; SCHEMBL812036; CHEMBL2001844; DTXSID70283267; 2,6-Trichloro-5-methylpyrimidine; methyl 2,4,6-trichloropyrimidine; ACT01402; AMY11527; ZINC1661261; NSC-30722; Pyrimidine,4,6-trichloro-5-methyl-; AKOS000285087; AC-2386; CS-W002538; GS-6496; SB57238; Pyrimidine,2,4,6-trichloro-5-methyl-; L049; NCI60_002626; SY016045; 2,4,6-Trichloro-5-methylpyrimidine, 97%; DB-019824; FT-0609846; A26856; 780T365; W-206252"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30722	.	.	.	.	197.45	C5H3Cl3N2	25.8	110	3.5	10	0	2	0	InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3	CC1=C(N=C(N=C1Cl)Cl)Cl	VTSWSQGDJQFXHB-UHFFFAOYSA-N
DG51260	"1-Methylcyclopentane-1,2-dicarboxylic acid"	232835	"NSC30799; 1-methylcyclopentane-1,2-dicarboxylic acid; NSC-30799; CHEMBL1993957"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30799	.	.	.	.	344.36	C16H24O8	149	223	.	24	4	8	4	"InChI=1S/2C8H12O4/c2*1-8(7(11)12)4-2-3-5(8)6(9)10/h2*5H,2-4H2,1H3,(H,9,10)(H,11,12)"	CC1(CCCC1C(=O)O)C(=O)O.CC1(CCCC1C(=O)O)C(=O)O	GJYRVKIYYDPFCC-UHFFFAOYSA-N
DG51261	5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole	232850	NSC30813; MLS002639348; 6321-57-9; 5-(naphthalen-1-yl)-1-phenyl-1h-tetrazole; CHEMBL1897414; SCHEMBL15413314; DTXSID10283286; HMS3089L21; ZINC1661351; NSC-30813; 1-Phenyl-5-(1-naphthyl)-1H-tetrazole; SMR001548793	.	.	Investigative Drug(s)	Investigative	Small molecular drug	30813	.	.	.	.	272.3	C17H12N4	43.6	342	4.1	21	0	3	2	InChI=1S/C17H12N4/c1-2-9-14(10-3-1)21-17(18-19-20-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H	C1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC4=CC=CC=C43	VXVWZSOAJZOYJH-UHFFFAOYSA-N
DG51262	"[2-Oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate"	233330	Asperuloside; 14259-45-1; NSC31760; SCHEMBL308266; CHEMBL1965021; HMS3350H16; NSC-31760; NSC258322; AKOS032948766; NSC-258322; NCI60_002727; FT-0775409	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31760	.	.	.	.	414.4	C18H22O11	161	746	-2.4	29	4	11	6	"InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3"	CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O	IBIPGYWNOBGEMH-UHFFFAOYSA-N
DG51263	3-But-3-en-2-yl-2-hydroxybenzaldehyde	233642	NSC32516; NSC-32516	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32516	.	.	.	.	176.21	C11H12O2	37.3	189	3	13	1	2	3	"InChI=1S/C11H12O2/c1-3-8(2)10-6-4-5-9(7-12)11(10)13/h3-8,13H,1H2,2H3"	CC(C=C)C1=CC=CC(=C1O)C=O	QHVIESXWEVIHFD-UHFFFAOYSA-N
DG51264	1-(3-Chlorophenyl)-4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]piperazine	233683	NSC32569; NSC-32569	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32569	.	.	.	.	433.4	C23H30Cl2N4	13	470	5.1	29	0	4	6	"InChI=1S/C23H30Cl2N4/c24-20-5-7-22(8-6-20)28-15-11-26(12-16-28)9-2-10-27-13-17-29(18-14-27)23-4-1-3-21(25)19-23/h1,3-8,19H,2,9-18H2"	C1CN(CCN1CCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl	RJIDJXUSALVOTE-UHFFFAOYSA-N
DG51265	Acetoxycycloheximide	233768	"Acetoxycycloheximide; Acetyloxycycloheximide; 2885-39-4; MLS002702835; Cycloheximide, acetoxy-; GNF-Pf-3792; NSC32743; [3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate; 4-Acetoxycycloheximide; AXM; SMR001566661; Antibiotic from Streptomyces albulus; E 73; 4-Acetoxy-cycloheximide; CHEMBL582983; cid_233768; SCHEMBL2712971; BDBM93519; NSC-32743; CCG-102455; CYCLOHEXIMIDE, 4-ACETOXY-(E-B); NCGC00246789-01; NCI60_002839; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-, 5-acetate; Glutarimide,5-dimethyl-2-oxocyclohexyl)ethyl]-,5-acetate; 3-[2-(2,6-Dioxo-4-piperidinyl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl acetate #; [3-[2-[2,6-bis(oxidanylidene)piperidin-4-yl]-1-oxidanyl-ethyl]-1,5-dimethyl-4-oxidanylidene-cyclohexyl] ethanoate; 2, 4-[2-[5-(acetyloxy)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-, [1S-[1.alpha.(S*),3.alpha.,5.alpha.]]-; 2, 4-[2-[5-(acetyloxy)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-, [1S-[1.alpha.(S*),3.beta.,5.beta.]]-; acetic acid [3-[2-(2,6-diketo-4-piperidyl)-1-hydroxy-ethyl]-4-keto-1,5-dimethyl-cyclohexyl] ester; acetic acid [3-[2-(2,6-dioxo-4-piperidinyl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] ester; NCGC00246789-03![3-[2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32743	.	.	.	.	339.4	C17H25NO6	110	543	-0.1	24	2	6	5	"InChI=1S/C17H25NO6/c1-9-7-17(3,24-10(2)19)8-12(16(9)23)13(20)4-11-5-14(21)18-15(22)6-11/h9,11-13,20H,4-8H2,1-3H3,(H,18,21,22)"	CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)OC(=O)C	UFDHNJJHPSGMFX-UHFFFAOYSA-N
DG51266	"N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	233866	"Colchicoside; NSC32992; N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; 477-29-2; N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; N-[3-(Hexopyranosyloxy)-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide; NSC624672; CHEMBL1994730; NSC-32992; NCI60_002885; Benzo[a]heptalen-9(5H)-one,7-dihydro-2,3,10-trimethoxy-; N-[1,2,10-trimethoxy-9-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	32992	.	.	.	.	547.5	C27H33NO11	173	1010	-1.1	39	5	11	7	"InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O	UXAFRQPVHYZDED-UHFFFAOYSA-N
DG51267	"N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide"	233871	"N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide; NSC33006; 6265-57-2; CHEMBL129236; NCIMech_000040; Oprea1_636874; SCHEMBL7105704; NIOSH/AB4542560; DTXSID40283693; ZINC1467822; 2-(4'-Acetamidophenyl)benzothiazole; ARK100634; BDBM50293121; CCG-35512; NSC-33006; Acetanilide, 4'-(2-benzothiazolyl)-; AKOS001084767; MCULE-8861306985; 2-[4-(Acetylamino)phenyl]benzothiazole; NCI60_002888; N-(4-Benzothiazol-2-yl-phenyl)-acetamide; AB45425600; Acetamide, N-(4-(2-benzothiazolyl)phenyl)-; N-(4-(benzo[d]thiazol-2-yl)phenyl)acetamide; Z28574852"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33006	.	.	.	.	268.3	C15H12N2OS	70.2	328	3.4	19	1	3	2	"InChI=1S/C15H12N2OS/c1-10(18)16-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)19-15/h2-9H,1H3,(H,16,18)"	CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2	SMYRLHVRGXBMTQ-UHFFFAOYSA-N
DG51268	1-(((1-Naphthylmethyl)thio)methyl)naphthalene	233907	"NSC33052; 2222-40-4; NSC-33052; 1-(((1-naphthylmethyl)thio)methyl)naphthalene; NCIStruc1_000984; NCIStruc2_001321; bis(1-naphthylmethyl) sulfide; SCHEMBL9456743; CHEMBL1370229; DTXSID60944870; NCI33052; ZINC1665359; CCG-36688; NCGC00013383; NCGC00013383-02; NCGC00096499-01; NCI60_002893; 1,1'-[Sulfanediylbis(methylene)]dinaphthalene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33052	.	.	.	.	314.4	C22H18S	25.3	331	6.4	23	0	1	4	"InChI=1S/C22H18S/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2"	C1=CC=C2C(=C1)C=CC=C2CSCC3=CC=CC4=CC=CC=C43	DAQRZDDIMCDMPZ-UHFFFAOYSA-N
DG51269	methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate	233937	NSC33092; NSC-33092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33092	.	.	.	.	696.7	C40H32N4O8	153	1010	.	52	4	8	8	"InChI=1S/2C20H16N2O4/c1-25-19(23)21-15-9-5-11-4-8-14-16(22-20(24)26-2)10-6-12-3-7-13(15)17(11)18(12)14;1-25-19(23)21-15-9-5-11-3-4-12-6-10-16(22-20(24)26-2)14-8-7-13(15)17(11)18(12)14/h2*3-10H,1-2H3,(H,21,23)(H,22,24)"	COC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)NC(=O)OC)C=C1.COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC	VYGTVLSVQVMHHR-UHFFFAOYSA-N
DG51270	"N-[(5S)-3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide"	234103	"38838-27-6; SCHEMBL6700084; NSC33408; ZINC4769604; NSC-33408; N-[(5S)-3-Hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	33408	.	.	.	.	483.3	C20H22INO5	77	521	3.3	27	2	5	4	"InChI=1S/C20H22INO5/c1-10(23)22-15-6-5-11-7-17(25-2)19(26-3)20(27-4)18(11)13-8-14(21)16(24)9-12(13)15/h7-9,15,24H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)I)OC)OC)OC	NTJNSPIBKNYJBX-HNNXBMFYSA-N
DG51271	"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine"	234474	"NSC34444; NSC-34444; 2501-06-6; n-(4-nitrophenyl)-1,3-benzothiazol-2-amine; N-(4-NITROPHENYL)BENZOTHIAZOL-2-AMINE; NCIStruc1_000540; NCIStruc2_000526; SCHEMBL3490813; CHEMBL1448896; DTXSID50283947; NCI34444; ZINC3850812; CCG-37818; NCGC00013395; AKOS000125580; N-(4-Nitrophenyl)benzothiazole-2-amine; NCGC00013395-02; NCGC00096511-01; NCI60_003058; DS-011621; 2-(4-(hydroxy(oxido)amino)anilino)-1,3-benzothiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34444	.	.	.	.	271.3	C13H9N3O2S	99	328	4.1	19	1	5	2	"InChI=1S/C13H9N3O2S/c17-16(18)10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)19-13/h1-8H,(H,14,15)"	C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-]	ZFVXGNGPIXWVEL-UHFFFAOYSA-N
DG51272	3beta-Methoxy-androst-5-en-16beta-ol	234498	"UNII-Q69IBC7G0X; Q69IBC7G0X; NSC-34475; 3beta-Methoxyandrost-5-en-16beta-ol; 3beta-Methoxy-androst-5-en-16beta-ol; 6038-34-2; Androst-5-en-16.beta.-ol, 3.beta.-methoxy-; CHEBI:79869; NSC34475; ZINC4777689; Androst-5-en-16beta-ol,3beta-methoxy-; Androst-5-en-16beta-ol, 3beta-methoxy-; 3beta,16beta-Dihydroxyandrost-5-ene-3-methyl ether; Q27149009"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34475	.	.	.	.	304.5	C20H32O2	29.5	484	4.1	22	1	2	1	"InChI=1S/C20H32O2/c1-19-8-7-17-16(18(19)11-14(21)12-19)5-4-13-10-15(22-3)6-9-20(13,17)2/h4,14-18,21H,5-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC=C4[C@@]3(CC[C@@H](C4)OC)C	OUMKTFKBXXEGOM-ZPNXQJJCSA-N
DG51273	n-Carbamoyl-2-iodoacetamide	234533	(Iodoacetyl)urea; 67172-14-9; n-carbamoyl-2-iodoacetamide; iodoacetylurea; NSC34541; N-(Iodoacetyl)urea #; SCHEMBL11454026; DTXSID50283967; ZINC1666994; N-CARBAMOYL-2-IODO-ACETAMIDE; NSC-34541; AKOS014117147; DS-002384	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34541	.	.	.	.	227.99	C3H5IN2O2	72.2	114	0	8	2	2	1	"InChI=1S/C3H5IN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)"	C(C(=O)NC(=O)N)I	LEAQQJITAXQHNQ-UHFFFAOYSA-N
DG51274	Caulophylline	234566	"Caulophylline; Caulophyllin; CYTISINE, 3-METHYL-; 63699-79-6; 12-Methylcytisine; NSC34656; CHEMBL66191; 486-86-2; CHEBI:3474; 11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one; CYTISINE, 12-METHYL-; 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-; 3-Methyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one; Cytisine, 3-methyl; SCHEMBL10105087; BDBM50474187; NSC-34656; AKOS030541865; NCI60_003080; Q27106098; (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0^{2,7]trideca-2,4-dien-6-one; 3-Methyl-1,2,3,4,5,6-hexahydro-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one; 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34656	.	.	.	.	204.27	C12H16N2O	23.6	359	0.7	15	0	2	0	"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3"	CN1CC2CC(C1)C3=CC=CC(=O)N3C2	CULUKMPMGVXCEI-UHFFFAOYSA-N
DG51275	2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan	234636	MLS002607898; 6277-55-0; SMR001526660; NSC34864; 2-(4-acetylamino-phenylsulfanyl)-5-nitro-furan; N-[4-(5-nitrofuran-2-yl)sulfanylphenyl]acetamide; cid_234636; CHEMBL1734467; BDBM80057; DTXSID60978433; HMS3078F11; ZINC1667255; NSC-34864; N-[4-[(5-nitro-2-furyl)thio]phenyl]acetamide; N-[4-[(5-nitro-2-furanyl)thio]phenyl]acetamide; N-[4-(5-nitrofuran-2-yl)sulfanylphenyl]ethanamide; N-{4-[(5-Nitrofuran-2-yl)sulfanyl]phenyl}ethanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34864	.	.	.	.	278.29	C12H10N2O4S	113	339	2.7	19	1	5	3	"InChI=1S/C12H10N2O4S/c1-8(15)13-9-2-4-10(5-3-9)19-12-7-6-11(18-12)14(16)17/h2-7H,1H3,(H,13,15)"	CC(=O)NC1=CC=C(C=C1)SC2=CC=C(O2)[N+](=O)[O-]	NPAJZEQRHDGSIE-UHFFFAOYSA-N
DG51276	1-(1-Hydroxynaphthalen-2-yl)heptan-1-one	234660	1-(1-hydroxynaphthalen-2-yl)heptan-1-one; 67013-66-5; NSC34949; CHEMBL1996960; DTXSID60284026; ZINC1667325; NSC-34949; NCI60_003115	.	.	Investigative Drug(s)	Investigative	Small molecular drug	34949	.	.	.	.	256.339	C17H20O2	37.3	287	5.5	19	1	2	6	"InChI=1S/C17H20O2/c1-2-3-4-5-10-16(18)15-12-11-13-8-6-7-9-14(13)17(15)19/h6-9,11-12,19H,2-5,10H2,1H3"	CCCCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O	UORFSHNNAGRJCM-UHFFFAOYSA-N
DG51277	"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol"	234810	"NSC35400; NSC-35400; CHEMBL1416389; NCI35400; CCG-37627; NCGC00013404; NCGC00013404-02; NCGC00096519-01; NCI60_003180; 2,4-dichlorobenzyl imidothiocarbamate compound with 3,4,6-trichloro-2-(hydroxy(oxido)amino)phenol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35400	.	.	.	.	477.6	C14H10Cl5N3O3S	141	399	.	26	3	5	3	"InChI=1S/C8H8Cl2N2S.C6H2Cl3NO3/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;7-2-1-3(8)6(11)5(4(2)9)10(12)13/h1-3H,4H2,(H3,11,12);1,11H"	C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl	VYAQZAAUDLMLEH-UHFFFAOYSA-N
DG51278	Podophyllotoxin bromide	234820	NSC35468; Podophyllotoxin bromide; NSC-35468	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35468	.	.	.	.	477.3	C22H21BrO7	72.4	633	3.5	30	0	7	4	"InChI=1S/C22H21BrO7/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20H,8-9H2,1-3H3/t13-,18+,19-,20 /m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)Br	VNDCSULMOTZMNT-KSRYTWCQSA-N
DG51279	"Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione"	234858	"6270-35-5; NSC35580; UNII-QLZ45PX3T1; QLZ45PX3T1; Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione; Spiro[benzothiazole-2(3H),2'(1'H)-pyrimidine]-4',5',6'(3'H)-trione; NSC 35580; CHEMBL1998797; DTXSID20211777; ZINC1668251; NSC-35580; NCI60_003207; spiro[3H-1,3-benzothiazole-2,2'-hexahydropyrimidine]-4',5',6'-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35580	.	.	.	.	249.25	C10H7N3O3S	113	392	1	17	3	5	0	"InChI=1S/C10H7N3O3S/c14-7-8(15)12-10(13-9(7)16)11-5-3-1-2-4-6(5)17-10/h1-4,11H,(H,12,15)(H,13,16)"	C1=CC=C2C(=C1)NC3(S2)NC(=O)C(=O)C(=O)N3	CGJVHUCSRFVPHE-UHFFFAOYSA-N
DG51280	"Metanilic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methylthioxanthen-9-one (1:1)"	234864	"16170-84-6; NSC35587; DTXSID40284100; Leucanthone, m-aminobenzenesulfonate; NSC-35587; Thioxanthen-9-one, metanilate (1:1); Metanilic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methylthioxanthen-9-one (1:1); Thioxanthen-9-one, monometanilate(1:1); 9H-Thioxanthen-9-one, mono(3-aminobenzenesulfonate); Thioxanthen-9-one, compd. with m-aminobenzenesulfonic acid; 3-Aminobenzene-1-sulfonic acid--1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one (1/1); Benzenesulfonic acid, compd. with 1-[(2-diethylamino)ethyl]amino]-4-methyl-9H-thioxanthen-9-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35587	.	.	.	.	513.7	C26H31N3O4S2	146	644	.	35	3	8	7	"InChI=1S/C20H24N2OS.C6H7NO3S/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;7-5-2-1-3-6(4-5)11(8,9)10/h6-11,21H,4-5,12-13H2,1-3H3;1-4H,7H2,(H,8,9,10)"	CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC(=C1)S(=O)(=O)O)N	WVLAPRLFSRGXRA-UHFFFAOYSA-N
DG51281	"4-ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	234897	"6270-40-2; NSC35729; CHEMBL1990662; DTXSID50978321; NSC-35729; 10-Ethoxy-5-(4-ethoxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35729	.	.	.	.	456.5	C25H28O8	81.7	673	4	33	0	8	7	"InChI=1S/C25H28O8/c1-5-29-22-16-7-14-11-31-25(26)21(14)20(15(16)10-19-24(22)33-12-32-19)13-8-17(27-3)23(30-6-2)18(9-13)28-4/h8-10,14,20-21H,5-7,11-12H2,1-4H3"	CCOC1=C2CC3COC(=O)C3C(C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)OCC)OC	NXYKCHNYALSBOK-UHFFFAOYSA-N
DG51282	Erythritol aziridine	234991	"ERYTHRITOL AZIRIDINE; NSC-41458; NCIStruc1_001623; NCIStruc2_000342; 21401-28-5; CHEMBL1741553; NCI41458; NSC35915; ZINC1668477; meso-2, 1,4-bis(1-aziridinyl)-; CCG-38256; MP 427; NCGC00013484; NSC-35915; 2, 1,4-bis(1-aziridinyl)-, meso-; NCGC00013484-02; NCGC00096598-01; 2, 1,4-bis(1-aziridinyl)-, (R*,S*)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35915	.	.	.	.	172.22	C8H16N2O2	46.5	139	-1.4	12	2	4	5	"InChI=1S/C8H16N2O2/c11-7(5-9-1-2-9)8(12)6-10-3-4-10/h7-8,11-12H,1-6H2/t7-,8+"	C1CN1C[C@H]([C@H](CN2CC2)O)O	COMAQBNTHGBLNQ-OCAPTIKFSA-N
DG51283	"4-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-1,4-thiazinane 1,1-dioxide"	235012	"NSC35949; MLS002702840; NSC-35949; NCIMech_000850; NCIStruc1_001070; NCIStruc2_001056; CHEMBL1406556; SCHEMBL18134603; NCI35949; ZINC1668497; CCG-36119; CCG-37630; NCGC00013416; 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-1,4-thiazinane 1,1-dioxide; 1H-Indole, 3,3'-[2-[2-(1,1-dioxido-4-thiomorpholinyl)phenyl]ethylidene]bis-; NCGC00013416-02; NCGC00096531-01; NCI60_003267; SMR001566664; 3-(2-(2-(1,1-dioxido-4-thiomorpholinyl)phenyl)-1-(1H-indol-3-yl)ethyl)-1H-indole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35949	.	.	.	.	469.6	C28H27N3O2S	77.3	752	5.1	34	2	3	5	"InChI=1S/C28H27N3O2S/c32-34(33)15-13-31(14-16-34)28-12-6-1-7-20(28)17-23(24-18-29-26-10-4-2-8-21(24)26)25-19-30-27-11-5-3-9-22(25)27/h1-12,18-19,23,29-30H,13-17H2"	C1CS(=O)(=O)CCN1C2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65	GGRMGYJJBCRHKM-UHFFFAOYSA-N
DG51284	"Isothiourea, 2,4-dinitro-"	235013	"NSC35950; NSC-35950; Isothiourea, 2,4-dinitro-; CHEMBL1327483; NCI35950; CCG-37376; NCGC00013417; Carbamimidothioic acid, 2,4-dinitro-; NCGC00013417-02; NCGC00096532-01; NCI60_003268; (4-chloro-1-naphthyl)methyl imidothiocarbamate compound with 2,4-bis(hydroxy(oxido)amino)phenol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	35950	.	.	.	.	434.9	C18H15ClN4O5S	187	479	.	29	3	7	3	"InChI=1S/C12H11ClN2S.C6H4N2O5/c13-11-6-5-8(7-16-12(14)15)9-3-1-2-4-10(9)11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-6H,7H2,(H3,14,15);1-3,9H"	C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O	MXBNXBMVIBIEQE-UHFFFAOYSA-N
DG51285	"Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, (higher melting isomer)"	235235	"NSC36373; 78339-51-2; NSC36372; NSC-36372; NSC-36373; Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, (higher melting isomer); Naphtho[2,3-dioxole-6,7-dimethanol, 5,6,7,8-tetrahydro-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-, higher melting isomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36373	.	.	.	.	418.4	C22H26O8	107	547	2	30	3	8	6	"InChI=1S/C22H26O8/c1-26-18-4-11(5-19(27-2)22(18)28-3)20-12-6-16-17(30-10-29-16)7-13(12)21(25)15(9-24)14(20)8-23/h4-7,14-15,20-21,23-25H,8-10H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)CO	HNOIIHCYJKCZRK-UHFFFAOYSA-N
DG51286	NSC36413	235244	"4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}phenol; Dauricine; 524-17-4; NSC36413; 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol; 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol; 4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}phenol; Menispermum dauricum DC Extract; CHEMBL1995008; DTXSID90966808; BCP30798; NSC-36413; AKOS015897174; LS-15406; NCI60_003351; DB-050102; A870987; 4-[[(1R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenol; Phenol,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-, [R-(R*,R*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36413	.	.	.	.	624.8	C38H44N2O6	72.9	933	6.7	46	1	8	10	"InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3"	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC	AQASRZOCERRGBL-UHFFFAOYSA-N
DG51287	"8-[(4-tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione"	235292	"MLS000738125; NSC36525; Oprea1_273868; BDBM7009; cid_235292; CHEMBL1494091; HMS2745M22; NSC-36525; ZINC13597432; SMR000393888; 8-[(4-tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36525	.	.	.	.	342.4	C18H22N4O3	78.5	525	2.8	25	1	4	4	"InChI=1S/C18H22N4O3/c1-18(2,3)11-6-8-12(9-7-11)25-10-13-19-14-15(20-13)21(4)17(24)22(5)16(14)23/h6-9H,10H2,1-5H3,(H,19,20)"	CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C	FXCSOKVUMFCIKV-UHFFFAOYSA-N
DG51288	NSC36806	235431	"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,15,27,34-tetrone; NSC36806; NSC-36806; 6266-83-7; NCIStruc1_000718; NCIStruc2_000267; CHEMBL1371838; DTXSID70284330; NCI36806; CCG-38226; NCGC00013425; ZINC95544209; NCGC00013425-02; NCGC00096540-01; NCI60_003385; 2,21-dithia-7,10,13,16,26,29,32,35-octaazaheptacyclo[34.2.2.2~3,6~.2~10,13~.2~17,20~.2~22,25~.2~29,32~]pentaconta-1(38),3,5,17,19,22,24,36,39,43,45,49-dodecaene-8,15,27,34-tetrone 2,2,21,21-tetraoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	36806	.	.	.	.	829	C40H44N8O8S2	214	1410	1.5	58	4	12	0	"InChI=1S/C40H44N8O8S2/c49-37-25-45-17-19-46(20-18-45)26-39(51)43-31-5-13-35(14-6-31)58(55,56)36-15-7-32(8-16-36)44-40(52)28-48-23-21-47(22-24-48)27-38(50)42-30-3-11-34(12-4-30)57(53,54)33-9-1-29(41-37)2-10-33/h1-16H,17-28H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)"	C1CN2CCN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CN5CCN(CC5)CC(=O)NC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C2	BAJKVMCRMMOUKL-UHFFFAOYSA-N
DG51289	2 ClAdo	235481	"Cl AS; 2 ClAdo; MLS002693982; 9.beta.-D-Arabinofuranosyl-2-chloroadenine; Cl-Ado; (2S,3R,4S,5R)-2-(6-Amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 2015222-35-0; cid_8974; Adenine, 9-.beta.-D-arabinofuranosyl-2-chloro-; NCIOpen2_008559; SCHEMBL2446376; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol; SCHEMBL19953842; 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-chloro-; HMS3371F13; HMS3393B22; BCP31138; NSC36896; NSC76356; STR04265; BDBM50008369; NSC-36896; NSC-76356; NSC105290; AKOS025401466; AC-1866; NSC-105290; SMR001559917; SY017132; FT-0601308; FT-0689532; FT-0774789; FT-0774797; 2-Cl-Ado;2-CADO;6-Amino-2-chloropurine Ribosid; A808547; L001134; 2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-CADO); (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol; 10147-12-3; 2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2-chloroadenosine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76356	.	.	.	.	301.69	C10H12ClN5O4	140	367	-0.1	20	4	8	2	"InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N	BIXYYZIIJIXVFW-UHFFFAOYSA-N
DG51290	3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide	235600	"3-hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide; 450-33-9; NSC37186; SCHEMBL9322590; DTXSID30963316; ZINC995516; NSC-37186; alpha, alpha, alpha-Trifluoro-3-hydroxy-2-naphtho-m-toluidide; 3-Hydroxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37186	.	.	.	.	331.3	C18H12F3NO2	49.3	454	5.1	24	2	5	2	"InChI=1S/C18H12F3NO2/c19-18(20,21)13-6-3-7-14(10-13)22-17(24)15-8-11-4-1-2-5-12(11)9-16(15)23/h1-10,23H,(H,22,24)"	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O	TYINNZKCWQSFLU-UHFFFAOYSA-N
DG51291	Tricinolone acetophenonide	235856	"Tricinolone acetophenonide; MLS000738166; NSC37641; 3092-82-8; NSC-37641; CHEMBL1610591; SCHEMBL15599146; HMS2758A21; NCI60_003543; SMR000393925; Pregn-1,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-phenylethylidine)bis(oxy)]-, (11.beta.,16.alpha.)-; Pregn-1,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-,cyclic 16,17-acetal with acetophenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37641	.	.	.	.	496.6	C29H33FO6	93.1	1050	3.6	36	2	7	3	"InChI=1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27 ,28-,29+/m0/s1"	C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O	HCKFPALGXKOOBK-ZPHQKVKWSA-N
DG51292	"2-(1,3-oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide"	235925	NSC37815; SCHEMBL14679053; ZINC1670245; NSC-37815	.	.	Investigative Drug(s)	Investigative	Small molecular drug	37815	.	.	.	.	496.5	C22H20N6O6S	177	748	2	35	4	10	10	"InChI=1S/C22H20N6O6S/c29-19(13-25-21-23-9-11-33-21)27-15-1-5-17(6-2-15)35(31,32)18-7-3-16(4-8-18)28-20(30)14-26-22-24-10-12-34-22/h1-12H,13-14H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)"	C1=CC(=CC=C1NC(=O)CNC2=NC=CO2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNC4=NC=CO4	RPKOHKQZDIKLQW-UHFFFAOYSA-N
DG51293	2-(4-Chlorophenyl)-4-quinolinol	236003	MLS000738171; 6337-51-5; CHEMBL1312099; 2-(4-chlorophenyl)-4-quinolinol; 2-(4-Chlorophenyl)quinolin-4-ol; NSC38007; SCHEMBL10610835; 2-(4-chlorophenyl)-4-quinolone; DTXSID80284609; HMS2743A03; ZINC8615531; BDBM50430810; NSC-38007; AKOS015965684; 2-(p-Chlorophenyl)quinolin-4(1H)-one; 2-(4-chlorophenyl)-4(1H)-quinolinone; 2-(4-Chloro-phenyl)-1H-quinolin-4-one; SMR000393929	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38007	.	.	.	.	255.7	C15H10ClNO	29.1	358	3.8	18	1	2	1	"InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H,(H,17,18)"	C1=CC=C2C(=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl	XPVZKRRTCHLFRZ-UHFFFAOYSA-N
DG51294	4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate	236063	MLS002608073; 6954-34-3; SMR001526824; 4-chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate; NSC38086; (4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate; cid_236063; CHEMBL1881622; BDBM93495; DTXSID70284633; HMS3078D16; ZINC1670440; NSC-38086; DS-005578; (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate; 5-(4-chlorophenoxy)sulfonyl-1-methyl-4-nitro-imidazole; 3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-chlorophenyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38086	.	.	.	.	317.71	C10H8ClN3O5S	115	455	2.4	20	0	6	3	"InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]	VCBIEXLZPZYLOK-UHFFFAOYSA-N
DG51295	Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate	236065	MLS002608076; 6339-64-6; SMR001526827; naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate; NSC38090; naphthalen-1-yl 3-methyl-5-nitroimidazole-4-sulfonate; cid_236065; CHEMBL1700000; BDBM93496; DTXSID90284635; HMS3080B05; ZINC1670444; NSC-38090; AKOS033458940; MCULE-8729708772; DS-003110; 1-methyl-5-naphthalen-1-yloxysulfonyl-4-nitro-imidazole; naphthalen-1-yl 3-methyl-5-nitro-imidazole-4-sulfonate; Z1603789400; 3-methyl-5-nitro-4-imidazolesulfonic acid 1-naphthalenyl ester; 3-methyl-5-nitro-imidazole-4-sulfonic acid 1-naphthyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38090	.	.	.	.	333.32	C14H11N3O5S	115	544	2.9	23	0	6	3	"InChI=1S/C14H11N3O5S/c1-16-9-15-13(17(18)19)14(16)23(20,21)22-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3"	CN1C=NC(=C1S(=O)(=O)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]	SFAMFMRSBAURBQ-UHFFFAOYSA-N
DG51296	"3-(2,5-Dioxo-4-phenylimidazolidin-4-yl)propanoic acid"	236331	"3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanoic acid; 30741-72-1; 6939-92-0; NSC38743; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID; MLS000736986; MFCD08445744; 3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONICACID; 3-(2,5-dioxo-4-phenyl-4-imidazolidinyl)propanoic acid; NSC-38743; CHEMBL1736663; SCHEMBL11010651; HMS2757I10; BCP31913; 3255AB; 8250AE; AKOS000596429; AKOS016344478; MCULE-3252795475; SB40390; AM806569; DS-17947; NCI60_003693; SMR000393944; BB 0261746; CS-0149771; FT-0677972; 2,5-Dioxo-4-phenyl-4-imidazolidinepropionic acid; A876101; 4-Imidazolidinepropanoic acid, 2,5-dioxo-4-phenyl-; 3-(2,5-Dioxo-4-phenyliMidazolidin-4-yl)propanoic acid                        2,5-Dioxo-4-phenyl-4-imidazolidinepropionic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38743	.	.	.	.	248.23	C12H12N2O4	95.5	376	0.5	18	3	4	4	"InChI=1S/C12H12N2O4/c15-9(16)6-7-12(8-4-2-1-3-5-8)10(17)13-11(18)14-12/h1-5H,6-7H2,(H,15,16)(H2,13,14,17,18)"	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CCC(=O)O	RUWPCCQWDIAGAJ-UHFFFAOYSA-N
DG51297	2-(2-Nitrophenyl)butanedioic acid	236350	NSC38777; 6332-94-1; 2-(2-nitrophenyl)butanedioic acid; NSC-38777; o-nitrophenyl succinic acid; Oprea1_199704; Oprea1_491853; SCHEMBL7263686; CHEMBL1991276; DTXSID70284739; AKOS000505156; AKOS030483667; NCI60_003694; 2-(2-(hydroxy(oxido)amino)phenyl)succinic acid; SR-01000357933; SR-01000357933-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	38777	.	.	.	.	239.18	C10H9NO6	120	323	0.7	17	2	6	4	"InChI=1S/C10H9NO6/c12-9(13)5-7(10(14)15)6-3-1-2-4-8(6)11(16)17/h1-4,7H,5H2,(H,12,13)(H,14,15)"	C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)[N+](=O)[O-]	REWALNXOIYDJFF-UHFFFAOYSA-N
DG51298	Bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane	236554	"CHEMBL204687; 365-55-9; NSC39135; DTXSID10284814; ZINC1671152; BDBM50182125; NSC-39135; STK213636; AKOS003671425; MCULE-9314199041; bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane; 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene]; 2-nitro-1-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-(trifluoromethyl)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39135	.	.	.	.	412.27	C14H6F6N2O4S	117	514	5.4	27	0	11	2	"InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H"	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	JZOKZEROYRPYIF-UHFFFAOYSA-N
DG51299	"4-(Dimethylamino)-1,3-diphenylbutan-2-one"	236584	MLS002608145; 76932-64-4; NSC39199; CHEMBL1863734; DTXSID40284827; HMS3078N24; NSC-39199; SMR001526896	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39199	.	.	.	.	267.4	C18H21NO	20.3	288	3.2	20	0	2	6	"InChI=1S/C18H21NO/c1-19(2)14-17(16-11-7-4-8-12-16)18(20)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3"	CN(C)CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2	NIISBOCIVFUFDB-UHFFFAOYSA-N
DG51300	"2,6-Bis(piperidin-1-ylmethyl)cyclohexanone"	236587	"NSC39202; NSC650464; 2,6-bis(piperidin-1-ylmethyl)cyclohexanone; NCIMech_000146; Oprea1_642178; Oprea1_823005; IFLab1_003675; CHEMBL1994648; NSC-39202; STK968004; AKOS022094642; 2,6-Bis[piperidinomethyl]cyclohexanone; Cyclohexanone,6-bis(piperidinomethyl)-; MCULE-7585559488; IDI1_009782; 2,6-bis(1-piperidylmethyl)cyclohexanone; NCI60_003703; NCI60_017560; 2,6-Bis(1-piperidinylmethyl)cyclohexanone hydrobromide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39202	.	.	.	.	292.5	C18H32N2O	23.6	302	2.8	21	0	3	4	"InChI=1S/C18H32N2O/c21-18-16(14-19-10-3-1-4-11-19)8-7-9-17(18)15-20-12-5-2-6-13-20/h16-17H,1-15H2"	C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3	UZXQQNLALYSWNF-UHFFFAOYSA-N
DG51301	5-(2'-Chloroethyl)aminouracil	236633	"5-(2'-chloroethyl)aminouracil; 65-68-9; 5-(2-chloroethylamino)-1H-pyrimidine-2,4-dione; 5-[(2-chloroethyl)amino]pyrimidine-2,4(1h,3h)-dione; 5-((2-Chloroethyl)amino)pyrimidine-2,4(1H,3H)-dione; NSC39277; CHEMBL1985922; DTXSID40284842; ZINC1671278; NSC-39277; AKOS006272479; NCI60_003709; DB-054834; FT-0631289; A835191; 5-(2-chloroethylamino)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39277	.	.	.	.	189.6	C6H8ClN3O2	70.2	239	-0.2	12	3	3	3	"InChI=1S/C6H8ClN3O2/c7-1-2-8-4-3-9-6(12)10-5(4)11/h3,8H,1-2H2,(H2,9,10,11,12)"	C1=C(C(=O)NC(=O)N1)NCCCl	WEGIIMNVVVHGKX-UHFFFAOYSA-N
DG51302	"2-Chloro-3-[3-(propan-2-ylamino)propylamino]naphthalene-1,4-dione"	236655	NSC39351; ZINC1671320; NSC-39351	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39351	.	.	.	.	306.79	C16H19ClN2O2	58.2	446	3.8	21	2	4	6	"InChI=1S/C16H19ClN2O2/c1-10(2)18-8-5-9-19-14-13(17)15(20)11-6-3-4-7-12(11)16(14)21/h3-4,6-7,10,18-19H,5,8-9H2,1-2H3"	CC(C)NCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl	WOSOYAXCYXWQSQ-UHFFFAOYSA-N
DG51303	"9H-Purine, 6-(allylthio)-9-beta-D-ribofuranosyl-"	236667	"13153-19-0; NSC39367; 9-pentofuranosyl-6-(prop-2-en-1-ylsulfanyl)-9h-purine; 9H-Purine, 6-(allylthio)-9-.beta.-D-ribofuranosyl-; 9H-Purine,6-(2-propenylthio)-9-.beta.-D-ribfuranosyl-; CHEMBL1993255; SCHEMBL19410852; DTXSID00284863; NSC-39367; NCI60_003714"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39367	.	.	.	.	324.36	C13H16N4O4S	139	404	0.8	22	3	8	5	"InChI=1S/C13H16N4O4S/c1-2-3-22-12-8-11(14-5-15-12)17(6-16-8)13-10(20)9(19)7(4-18)21-13/h2,5-7,9-10,13,18-20H,1,3-4H2"	C=CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O	MESFUVRJGABYOW-UHFFFAOYSA-N
DG51304	"2-(6-Ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	236668	"SRI 1215; 2-(6-ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 13286-04-9; 9H-Purine, 6-(ethylthio)-9-beta-D-ribofuranosyl-; 6-Ethylthiopurine riboside; 9H-Purine, 6-(ethylthio)-9-.beta.-D-ribofuranosyl-; SCHEMBL21192198; DTXSID00927844; NSC39368; NSC-39368; 6-(ethylsulfanyl)-9-pentofuranosyl-9H-purine; (2R,3R,4S,5R)-2-(6-ethylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39368	.	.	.	.	312.35	C12H16N4O4S	139	366	0.5	21	3	8	4	"InChI=1S/C12H16N4O4S/c1-2-21-11-7-10(13-4-14-11)16(5-15-7)12-9(19)8(18)6(3-17)20-12/h4-6,8-9,12,17-19H,2-3H2,1H3"	CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O	SXDRPWJMWHDCLL-UHFFFAOYSA-N
DG51305	"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol"	236853	NSC39863; NSC-39863; CHEMBL1993606; NCI60_003722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39863	.	.	.	.	416.6	C28H36N2O	46	691	6.1	31	1	3	1	"InChI=1S/C28H36N2O/c1-26-16-19-17-29-25(18-7-5-4-6-8-18)30-24(19)15-20(26)9-10-21-22(26)11-13-27(2)23(21)12-14-28(27,3)31/h4-8,17,20-23,31H,9-16H2,1-3H3/t20-,21+,22-,23-,26-,27-,28-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CN=C(N=C5C4)C6=CC=CC=C6)C	PHBHRCDYKYBQFC-RSFKWRCVSA-N
DG51306	5-Chloro-6-nitroquinoline	236923	"5-chloro-6-nitroquinoline; 58416-32-3; NSC39969; SCHEMBL358828; Quinoline, 5-chloro-6-nitro-; DTXSID40284963; ZINC1671642; MFCD18448461; NSC-39969; SB70922; DB-087489"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	39969	.	.	.	.	208.6	C9H5ClN2O2	58.7	231	2.6	14	0	3	0	InChI=1S/C9H5ClN2O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H	C1=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])N=C1	UEYYCZFZTFTKAY-UHFFFAOYSA-N
DG51307	10-Methyl-7h-benzo[c]phenothiazine	237061	10-methyl-7h-benzo[c]phenothiazine; MLS000737012; 6314-36-9; SR-01000767900; SR-01000767900-3; NSC40273; cid_237061; CHEMBL1300506; BDBM65957; DTXSID20285034; HMS2768G07; ZINC1671866; NSC-40273; SMR000393968	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40273	.	.	.	.	263.4	C17H13NS	37.3	331	5.2	19	1	2	0	"InChI=1S/C17H13NS/c1-11-6-8-14-16(10-11)19-17-13-5-3-2-4-12(13)7-9-15(17)18-14/h2-10,18H,1H3"	CC1=CC2=C(C=C1)NC3=C(S2)C4=CC=CC=C4C=C3	FOEVXYGXVGBVKD-UHFFFAOYSA-N
DG51308	"2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)"	237101	"2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone); NSC40341; 6312-47-6; CHEMBL1981644; NSC 40341; NCIMech_000086; DTXSID10212455; ZINC1671927; BDBM50548269; CCG-35269; NSC-40341; NCI60_003801; 1, 2,2'-(1,4-piperazinediyl)bis[3-chloro-; 2-chloro-3-[4-(3-chloro-1,4-dioxo-2-naphthyl)piperazin-1-yl]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40341	.	.	.	.	467.3	C24H16Cl2N2O4	74.8	872	4.8	32	0	6	2	"InChI=1S/C24H16Cl2N2O4/c25-17-19(23(31)15-7-3-1-5-13(15)21(17)29)27-9-11-28(12-10-27)20-18(26)22(30)14-6-2-4-8-16(14)24(20)32/h1-8H,9-12H2"	C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl	LLEAFADFRDXABW-UHFFFAOYSA-N
DG51309	"2-Chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione"	237102	"6312-48-7; 2-Chloro-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione; 2-chloro-3-(4-methylpiperazino)naphthoquinone; MLS002608219; NSC40342; 2-chloro-3-(4-methylpiperazin-1-yl)-1,4-dihydronaphthalene-1,4-dione; 2-Chloro-3-(4-methylpiperazin-1-yl)naphthoquinone; Naphthoquinone, 2-chloro-3-(4-methylpiperazin-1-yl)-; SMR001526970; 2-chloro-3-(4-methylpiperazin-1-yl)-1,4-naphthoquinone; cid_237102; SCHEMBL8651868; CHEMBL1163377; BDBM80987; DTXSID70212456; HMS3078I08; MFCD00948957; NSC 40342; NSC-40342; STK535899; ZINC20025244; AKOS005467112; CCG-279198; MCULE-2655258959; CS-0322775; 11T-0655; 2-chloro-3-(4-methylpiperazino)-1,4-naphthoquinone; 2-Chloro-3-(4-methylpiperizino)-1,4-naphthoquinone; 2-chloro-3-(4-methyl-1-piperazinyl)naphthalene-1,4-dione; 3-chloro-2-(4-methylpiperazin-1-yl)-1,4-naphthoquinone; 2-chloranyl-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40342	.	.	.	.	290.74	C15H15ClN2O2	40.6	467	2.4	20	0	4	1	"InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3"	CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	GUNUJEHGUYLPRR-UHFFFAOYSA-N
DG51310	"2,4,5-Trichloropyrimidine"	237259	"2,4,5-Trichloropyrimidine; 5750-76-5; 2,5,6-Trichloropyrimidine; 2,4,5-Trichloro-pyrimidine; trichloropyrimidine; NSC40593; Pyrimidine, 2,4,5-trichloro-; MFCD03788200; NSC 40593; 2,5-Trichloropyrimidine; 2,4,5 trichloropyrimidine; Pyrimidine,4,5-trichloro-; 2,4,5-trichloro pyrimidine; 2,4,5-Trichloropyrimidine;; SCHEMBL155314; 2, 4, 5-trichloropyrimidine; 2,4,5-Trichloro -pyrimidine; 2,4,5-Trichloropyrimidine #; CHEMBL1979246; 5-chloro-2,4-dichloropyrimidine; DTXSID50206116; 5-chloro-2,4-dichloro-pyrimidine; 2,4,5-Trichloropyrimidine, 99%; ACT01301; BCP30665; CS-D0821; ZINC1672144; BBL100690; NSC-40593; STL554484; AKOS005255047; AB15936; AC-1159; CM11088; LS00048; MCULE-6423943918; PS-6115; BP-10705; NCI60_003837; DB-005127; AM20100409; FT-0601169; T2512; 750T765; W-203164; 2,5,6-Trichloropyrimidine pound>>2,4,5-Trichloro-pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40593	.	.	.	.	183.42	C4HCl3N2	25.8	99.8	2.8	9	0	2	0	InChI=1S/C4HCl3N2/c5-2-1-8-4(7)9-3(2)6/h1H	C1=C(C(=NC(=N1)Cl)Cl)Cl	GIKMWFAAEIACRF-UHFFFAOYSA-N
DG51311	"9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-beta-D-ribofuranosyl-"	237305	"MLS002702849; PC 254; 3384-61-0; NSC40665; CHEMBL285930; DTXSID60955426; NSC-40665; 9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-; 9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]-9-.beta.-D-ribofuranosyl-; NCI60_003859; SMR001566671; 9H-Purine, 2-amino-6-(1-methyl-4-nitroimidazol-5-ylthio)-9-.beta.-D-ribofuranosyl-; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40665	.	.	.	.	424.39	C14H16N8O6S	229	617	-0.9	29	4	12	4	"InChI=1S/C14H16N8O6S/c1-20-3-17-10(22(26)27)13(20)29-11-6-9(18-14(15)19-11)21(4-16-6)12-8(25)7(24)5(2-23)28-12/h3-5,7-8,12,23-25H,2H2,1H3,(H2,15,18,19)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]	WJPLSTABBCGIQS-UHFFFAOYSA-N
DG51312	"2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol"	237371	"NSC40787; 6338-67-6; NSC-40787; CHEMBL1369208; DTXSID40285172; NCI40787; CCG-36911; NCGC00013475; NCGC00013475-02; NCGC00096590-01; NCI60_003900; 2,3,4,5,6-pentachlorophenol compound with 2-methyl-N-(2-methyl-2-propenyl)-2-propen-1-amine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	40787	.	.	.	.	391.5	C14H16Cl5NO	32.299	250	.	21	2	2	4	"InChI=1S/C8H15N.C6HCl5O/c1-7(2)5-9-6-8(3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h9H,1,3,5-6H2,2,4H3;12H"	CC(=C)CNCC(=C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O	VIVCKDRUZKLWDE-UHFFFAOYSA-N
DG51313	Antineoplastic-41390	237683	6973-96-2; ANTINEOPLASTIC-41390; NSC41390; DTXSID10989897; NSC-41390; [4-(4-Phenoxybenzoyl)phenyl]arsanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41390	.	.	.	.	364.2	C19H13AsO3	43.4	389	.	23	0	3	4	InChI=1S/C19H13AsO3/c21-19(14-6-10-16(20-22)11-7-14)15-8-12-18(13-9-15)23-17-4-2-1-3-5-17/h1-13H	C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[As]=O	JCBAMEPRVWICDX-UHFFFAOYSA-N
DG51314	"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene"	237765	"2,4-dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene; MLS002608325; 6310-36-7; NSC41567; CHEMBL1699042; DTXSID80285373; HMS3085O07; ZINC1672789; NSC-41567; AKOS008507735; SMR001527075"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	41567	.	.	.	.	335.6	C13H9Cl3O2S	42.5	385	4.5	19	0	2	3	"InChI=1S/C13H9Cl3O2S/c14-10-3-5-12(6-4-10)19(17,18)8-9-1-2-11(15)7-13(9)16/h1-7H,8H2"	C1=CC(=CC=C1S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl	PFCHQLSWOQFFKU-UHFFFAOYSA-N
DG51315	Podophyllotoxin o-benzylidene-beta-D-glucopyranoside	237979	"NSC42076; Spg 827; Podophyllotoxin-benziliden-glucosid; NSC 42076; SP-G; Podophyllotoxin o-benzylidene-.beta.-D-glucopyranoside; NSC-42076; PODOPHYLLOTOXIN,6,O'-BENZYLIDENE-B-D-GLUCOSIDE; Podophyllotoxin, O-benzylidene-.beta.-D-glucopyranoside; Podophyllotoxin,6-O-benzylidene-.beta.-D-glucopyranoside; 4,6-o-Benzylidene-.beta.-D-glucopyranoside podophyllotoxin; PODOPHYLLOTOXIN,6,O-BENZYLIDENE-.BETA.-D-GLUCOPYRANOSIDE; WLN: T E5 C665 FVO NO PO OHTT&&J DR CO1 DO1 EO1& JO- BT6OTJ CQ DQ EQ F1Q; .beta.-D-Glucopyranoside,5a,6,8,8a,9-hexahydro-6-oxo-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-9-yl, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-o-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a-.beta.,8a-.alpha.,9-.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-O-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-[[4,6-o-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-[5R-(5.alpha.,5a-.beta.,8a-.alpha.,9-.alpha.)]-; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-9-[[4,6-O-(phenylmethylene)-.beta.-D-glucopyranosyl]oxy]-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42076	.	.	.	.	664.7	C35H36O13	150	1110	1.9	48	2	13	7	"InChI=1S/C35H36O13/c1-39-23-9-17(10-24(40-2)31(23)41-3)26-18-11-21-22(45-15-44-21)12-19(18)30(20-13-42-33(38)27(20)26)47-35-29(37)28(36)32-25(46-35)14-43-34(48-32)16-7-5-4-6-8-16/h4-12,20,25-30,32,34-37H,13-15H2,1-3H3/t20-,25 ,26+,27-,28 ,29 ,30-,32 ,34 ,35 /m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)O)O	SBPPWJIDARICBS-QKFAOQDPSA-N
DG51316	"2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-"	238016	"90772-47-7; KC 60; Pyrimidine,4-diamino-6-(P-bromoanilino)-5-nitroso-; 2,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-; CHEMBL1996120; 2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-5-nitroso-; DTXSID90920167; NSC42138; NSC99350; ZINC4430760; NSC-42138; NSC-99350; AKOS024325565; MCULE-4105528462; NCI60_003957; N~4~-(4-Bromophenyl)-2-imino-5-nitroso-1,2-dihydropyrimidine-4,6-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42138	.	.	.	.	309.12	C10H9BrN6O	119	286	2	18	3	7	2	"InChI=1S/C10H9BrN6O/c11-5-1-3-6(4-2-5)14-9-7(17-18)8(12)15-10(13)16-9/h1-4H,(H5,12,13,14,15,16)"	C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)Br	CQNRHAOUJJONJK-UHFFFAOYSA-N
DG51317	9-benzyl-6-(benzylthio)-9H-purin-2-amine	238161	NSC42384; NSC-42384; 94333-07-0; MLS002608399; 9-benzyl-6-(benzylthio)-9H-purin-2-amine; CHEMBL1270168; SCHEMBL17595248; DTXSID30285585; HMS3092J15; NCI42384; ZINC1675231; BDBM50328825; CCG-36497; NCGC00013500; NCGC00013500-02; NCGC00096614-01; NCI60_003968; SMR001527148; 9-Benzyl-6-benzylsulfanyl-9H-purin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42384	.	.	.	.	347.4	C19H17N5S	94.9	411	3.6	25	1	5	5	"InChI=1S/C19H17N5S/c20-19-22-17-16(18(23-19)25-12-15-9-5-2-6-10-15)21-13-24(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,20,22,23)"	C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N	DNNVKRLIFZPYGL-UHFFFAOYSA-N
DG51318	Propan-2-yl hexadecylcarbamate	238166	propan-2-yl hexadecylcarbamate; 6298-78-8; propan-2-yl N-hexadecylcarbamate; NSC42405; DTXSID50978866; NSC-42405; ZINC100309895; Propan-2-yl hydrogen hexadecylcarbonimidate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42405	.	.	.	.	327.5	C20H41NO2	38.3	254	8.5	23	1	2	17	"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)23-19(2)3/h19H,4-18H2,1-3H3,(H,21,22)"	CCCCCCCCCCCCCCCCNC(=O)OC(C)C	UMMCTIRBSNSOIX-UHFFFAOYSA-N
DG51319	N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine	238327	"NSC42656; MLS002608428; 6312-00-1; NSC-42656; N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine; NCIStruc1_000549; NCIStruc2_000604; CHEMBL1597169; DTXSID90285703; HMS3092D13; NCI42656; CCG-37898; NCGC00013507; ZINC19916473; AKOS000236065; MCULE-3446017896; NCGC00013507-02; NCGC00096621-01; NCI60_003979; SMR001527177; 2-Pyridineethanamine,n-(2-furanylmethyl)-; DS-013703; CS-0267589; n-(Furan-2-ylmethyl)-2-(pyridin-2-yl)ethan-1-amine; (FURAN-2-YLMETHYL)[2-(PYRIDIN-2-YL)ETHYL]AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42656	.	.	.	.	202.25	C12H14N2O	38.1	175	1.3	15	1	3	5	"InChI=1S/C12H14N2O/c1-2-7-14-11(4-1)6-8-13-10-12-5-3-9-15-12/h1-5,7,9,13H,6,8,10H2"	C1=CC=NC(=C1)CCNCC2=CC=CO2	YWXVVNIDMJBPNK-UHFFFAOYSA-N
DG51320	"1-Phenyl-3-(4-pyridinyl)-1,3-propanedione"	238347	"NSC42679; 6312-20-5; MLS002608436; NSC-42679; 1-phenyl-3-(4-pyridinyl)-1,3-propanedione; 1-phenyl-3-pyridin-4-ylpropane-1,3-dione; NCIStruc1_000629; NCIStruc2_000576; SCHEMBL8053052; CHEMBL1443628; DTXSID00285719; HMS3078G06; NCI42679; ZINC3953987; CCG-37900; NCGC00013509; NCGC00013509-02; NCGC00096623-01; NCI60_003981; SMR001527185; 1-Phenyl-3-(4-pyridyl)-1,3-propanedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42679	.	.	.	.	225.24	C14H11NO2	47	276	1.8	17	0	3	4	"InChI=1S/C14H11NO2/c16-13(11-4-2-1-3-5-11)10-14(17)12-6-8-15-9-7-12/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=NC=C2	ALJURYJXCXVZFN-UHFFFAOYSA-N
DG51321	2-Phenyl-4-pyridin-2-ylbutanoic acid	238363	"NSC42695; 2-phenyl-4-pyridin-2-ylbutanoic acid; 6312-31-8; MLS002608441; NSC-42695; 2-Pyridinebutanoicacid, a-phenyl-; CHEMBL1869193; DTXSID80285732; HMS3080D13; AKOS017980559; 2-phenyl-4-(2-pyridinyl)butanoic acid; NCI60_003983; SMR001527190; DS-013690"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42695	.	.	.	.	241.28	C15H15NO2	50.2	261	2.7	18	1	3	5	"InChI=1S/C15H15NO2/c17-15(18)14(12-6-2-1-3-7-12)10-9-13-8-4-5-11-16-13/h1-8,11,14H,9-10H2,(H,17,18)"	C1=CC=C(C=C1)C(CCC2=CC=CC=N2)C(=O)O	SSRVHSJNWMCPCE-UHFFFAOYSA-N
DG51322	3-Methyl-1-(2-quinolinyl)-2-butanone	238450	"NSC42797; 10554-56-0; NSC-42797; 3-methyl-1-(2-quinolinyl)-2-butanone; 2-Butanone,3-methyl-1-(2-quinolinyl)-; NCIStruc1_000471; NCIStruc2_000616; CHEMBL1741410; DTXSID80285792; NCI42797; CCG-37903; NCGC00013513; ZINC37866080; NCGC00013513-02; NCGC00096627-01; NCI60_003985; DS-013050"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42797	.	.	.	.	213.27	C14H15NO	30	249	2.9	16	0	2	3	"InChI=1S/C14H15NO/c1-10(2)14(16)9-12-8-7-11-5-3-4-6-13(11)15-12/h3-8,10H,9H2,1-2H3"	CC(C)C(=O)CC1=NC2=CC=CC=C2C=C1	YNAKYFWJSSKUQL-UHFFFAOYSA-N
DG51323	"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone"	238460	"NSC42808; NSC-42808; CHEMBL1977162; 6-(dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone; NCI60_003988"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42808	.	.	.	.	248.36	C15H24N2O	33.2	268	2.3	18	0	3	6	"InChI=1S/C15H24N2O/c1-15(2,3)14(18)12(9-11-17(4)5)13-8-6-7-10-16-13/h6-8,10,12H,9,11H2,1-5H3"	CC(C)(C)C(=O)C(CCN(C)C)C1=CC=CC=N1	WHFIZBVXVJYPFM-UHFFFAOYSA-N
DG51324	2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine	238475	NSC42824; NSC-42824; 2-(1-phenyl-3-(1-pyrrolidinyl)propyl)pyridine; CHEMBL1971468; NCI60_003990	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42824	.	.	.	.	266.4	C18H22N2	16.1	267	3.2	20	0	2	5	"InChI=1S/C18H22N2/c1-2-8-16(9-3-1)17(18-10-4-5-12-19-18)11-15-20-13-6-7-14-20/h1-5,8-10,12,17H,6-7,11,13-15H2"	C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CC=N3	RVICOCMXZVHRHL-UHFFFAOYSA-N
DG51325	"1,1,3,4-Tetrabromo-4-phenylbutan-2-one"	238545	"6304-55-8; 1,1,3,4-tetrabromo-4-phenylbutan-2-one; NSC42972; 2-Butanone,1,1,3,4-tetrabromo-4-phenyl-; DTXSID00285835; NSC-42972; DS-003946"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	42972	.	.	.	.	463.79	C10H8Br4O	17.1	214	4.7	15	0	1	4	"InChI=1S/C10H8Br4O/c11-7(6-4-2-1-3-5-6)8(12)9(15)10(13)14/h1-5,7-8,10H"	C1=CC=C(C=C1)C(C(C(=O)C(Br)Br)Br)Br	UUUQKIQSKJSFCW-UHFFFAOYSA-N
DG51326	1-(4-Bromoanilino)cyclopentane-1-carbonitrile	238637	MLS002608500; 73143-10-9; 1-(4-bromoanilino)cyclopentane-1-carbonitrile; NSC43101; CHEMBL1886701; DTXSID00993882; HMS3080H19; ZINC1675862; NSC-43101; SMR001527247	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43101	.	.	.	.	265.15	C12H13BrN2	35.8	254	3.4	15	1	2	2	"InChI=1S/C12H13BrN2/c13-10-3-5-11(6-4-10)15-12(9-14)7-1-2-8-12/h3-6,15H,1-2,7-8H2"	C1CCC(C1)(C#N)NC2=CC=C(C=C2)Br	WGSHEWFMWCELQT-UHFFFAOYSA-N
DG51327	2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide	238775	MLS000737077; SMR000394031; NSC43308; cid_238775; CHEMBL1502358; BDBM47469; 2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide; HMS2753H22; ZINC1676023; NSC-43308; 2-keto-4-phenylimino-N-styrylidene-but-3-enamide; SR-01000769620; SR-01000769620-2; 2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide; 2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43308	.	.	.	.	288.3	C18H12N2O2	58.9	511	4.4	22	0	3	4	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H	C1=CC=C(C=C1)C=C=NC(=O)C(=O)C=C=NC2=CC=CC=C2	DDGJLZWYTNCSEI-UHFFFAOYSA-N
DG51328	"p-Benzoquinone, trimethoxy-"	238795	"p-Benzoquinone, trimethoxy-; MLS002608533; 3117-05-3; 2,3,5-trimethoxy-p-benzoquinone; SMR001527280; 2,3,5-trimethoxycyclohexa-2,5-diene-1,4-dione; NSC43333; cid_238795; SCHEMBL3413590; CHEMBL1706640; BDBM80743; DTXSID90285965; HMS3091M04; ZINC1676043; NSC-43333; 2,3,5-Trimethoxybenzo-1,4-quinone #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43333	.	.	.	.	198.17	C9H10O5	61.8	337	0.2	14	0	5	3	"InChI=1S/C9H10O5/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3"	COC1=CC(=O)C(=C(C1=O)OC)OC	OIMLWOWVDNEGEN-UHFFFAOYSA-N
DG51329	Nootkatin	238797	"Nootkatin; NSC43339; 4431-03-2; MLS002608535; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-; CHEMBL1700891; SCHEMBL13311346; DTXSID10196125; HMS3091E24; ZINC5458295; NSC 43339; NSC-43339; NSC403527; NSC 403527; NSC-403527; SMR001527282; Q67880029; 2-hydroxy-4-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43339	.	.	.	.	232.32	C15H20O2	37.3	428	3.6	17	1	2	3	"InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17)"	CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O	MNMNTZYOZZLKSV-UHFFFAOYSA-N
DG51330	2-amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine	238855	NSC43413; MLS002608548; NSC-43413; CHEMBL1725598; HMS3091E12; NCI43413; CCG-36902; NCGC00013524; ZINC03953998; ZINC37868617; NCGC00013524-02; NCGC00096637-01; NCI60_004006; SMR001527295; 2-amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43413	.	.	.	.	382.4	C16H14N8O2S	159	531	2.3	27	1	8	4	"InChI=1S/C16H14N8O2S/c1-22-8-19-13(24(25)26)15(22)27-14-11-12(20-16(17)21-14)23(9-18-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,17,20,21)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]	KHTLNGFUSVKKLF-UHFFFAOYSA-N
DG51331	"2,6-Diamino-9-benzylpurine"	238930	"2,6-Diamino-9-benzylpurine; 7674-36-4; NSC43534; 2-amino-9-benzyladenine; SCHEMBL1640041; CHEMBL1969401; DTXSID10286035; ZINC1676221; NSC-43534; 9H-Purine, 2,6-diamino-9-benzyl-; NCI60_004010"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43534	.	.	.	.	240.26	C12H12N6	95.6	280	1.4	18	2	5	2	"InChI=1S/C12H12N6/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,13,14,16,17)"	C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)N	DRGHOMRXJSSSBT-UHFFFAOYSA-N
DG51332	6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one	238946	"6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one; 6345-62-6; 4-Methyl-7-methoxy-6-hydroxycoumarin; Coumarin, 6-hydroxy-7-methoxy-4-methyl-; 6-hydroxy-7-methoxy-4-methylchromen-2-one; NSC43567; UNII-TJB10ZFF3K; TJB10ZFF3K; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-4-methyl-; 6-Hydroxy-7-methoxy-4-methyl-2H-1-benzopyran-2-one; NSC 43567; SCHEMBL8807762; CHEMBL1994521; DTXSID00212868; ZINC1676260; NSC-43567; 6-hydroxy-7-methoxy-4-methyl coumarin; NCI60_004011; 6-hydroxy-7-methoxy-4-methyl-chromen-2-one; A935105; 6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	43567	.	.	.	.	206.19	C11H10O4	55.8	297	1.4	15	1	4	1	"InChI=1S/C11H10O4/c1-6-3-11(13)15-9-5-10(14-2)8(12)4-7(6)9/h3-5,12H,1-2H3"	CC1=CC(=O)OC2=CC(=C(C=C12)O)OC	XICLZVQOVIQOBV-UHFFFAOYSA-N
DG51333	"5-(2-(Benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione"	239211	"NSC44102; MLS002608589; 7153-57-3; NSC-44102; CHEMBL1977090; DTXSID80286183; HMS3091I20; NCI60_004020; SMR001527336; 5-(2-(benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione; 5-(2-(Benzyloxy)-2-methylpropyl)-5-methylimidazolidine-2,4-dione; 101496-60-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44102	.	.	.	.	276.33	C15H20N2O3	67.4	389	1.5	20	2	3	5	"InChI=1S/C15H20N2O3/c1-14(2,20-9-11-7-5-4-6-8-11)10-15(3)12(18)16-13(19)17-15/h4-8H,9-10H2,1-3H3,(H2,16,17,18,19)"	CC1(C(=O)NC(=O)N1)CC(C)(C)OCC2=CC=CC=C2	BQZHIDOEJWGMOX-UHFFFAOYSA-N
DG51334	Dodecyl morpholine-4-carboximidate	239304	NSC44230; dodecyl morpholine-4-carboximidate; CHEMBL1969941; Dodecyl 4-morpholinecarboximidoate; NSC-44230; ZINC73276339; NCI60_004024	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44230	.	.	.	.	298.5	C17H34N2O2	45.6	253	5.4	21	1	3	13	"InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(18)19-12-15-20-16-13-19/h18H,2-16H2,1H3"	CCCCCCCCCCCCOC(=N)N1CCOCC1	VLXNAGGKCPWWSK-UHFFFAOYSA-N
DG51335	"9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-propyl-"	239486	"MLS002608633; 92494-53-6; PC 287; 6-((2-chlorobenzyl)thio)-9-propyl-9H-purin-2-amine; CHEMBL1899264; DTXSID20286283; HMS3091G10; NSC44580; ZINC1676888; NSC-44580; SMR001527379; 9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-propyl-; 9H-Purin-2-amine, 6-[[(2-chlorophenyl)methyl]thio]-9-propyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44580	.	.	.	.	333.8	C15H16ClN5S	94.9	361	3.5	22	1	5	5	"InChI=1S/C15H16ClN5S/c1-2-7-21-9-18-12-13(21)19-15(17)20-14(12)22-8-10-5-3-4-6-11(10)16/h3-6,9H,2,7-8H2,1H3,(H2,17,19,20)"	CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3Cl)N	ZITJURWWDLKJNF-UHFFFAOYSA-N
DG51336	"9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-"	239491	"NSC44585; 36892-43-0; MLS002608636; NSC-44585; 9-Isobutylguaneran; PC 298; CHEMBL1710498; DTXSID60286287; HMS3091E04; NCI44585; CCG-36776; NCGC00013534; ZINC03954001; ZINC37868618; 9H-Purin-2-amine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9-(2-methylpropyl)-; NCGC00013534-02; NCGC00096647-01; NCI60_004028; SMR001527382; 9-Isobutyl-6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purin-2-amine; 9H-Purine, 2-amino-9-isobutyl-6-(1-methyl-4-nitroimidazol-5-ylthio)-; 2-amino-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9-isobutyl-9H-purine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44585	.	.	.	.	348.39	C13H16N8O2S	159	464	2	24	1	8	4	"InChI=1S/C13H16N8O2S/c1-7(2)4-20-6-15-8-9(20)17-13(14)18-11(8)24-12-10(21(22)23)16-5-19(12)3/h5-7H,4H2,1-3H3,(H2,14,17,18)"	CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N	SEIMKLNUEAPZHV-UHFFFAOYSA-N
DG51337	"1-[10-(2,5-Dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione"	239578	"1,10-Bis(maleimide)decane; 39763-02-5; MLS002608660; 1-[10-(2,5-dioxopyrrol-1-yl)decyl]pyrrole-2,5-dione; SMR001527406; NSC44753; cid_239578; SCHEMBL5383694; CHEMBL1728153; BDBM81216; DTXSID40286326; HMS3082I07; ZINC1677065; MFCD01318344; NSC-44753; AKOS024374890; MCULE-1258291314; 1-(10-maleimidodecyl)-3-pyrroline-2,5-quinone; 1,1'-(1,10-Decanediyl)bis(1H-pyrrole-2,5-dione); 1-[10-(2,5-dioxo-1-pyrrolyl)decyl]pyrrole-2,5-dione; 1-[10-[2,5-bis(oxidanylidene)pyrrol-1-yl]decyl]pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	44753	.	.	.	.	332.4	C18H24N2O4	74.8	479	2.3	24	0	4	11	"InChI=1S/C18H24N2O4/c21-15-9-10-16(22)19(15)13-7-5-3-1-2-4-6-8-14-20-17(23)11-12-18(20)24/h9-12H,1-8,13-14H2"	C1=CC(=O)N(C1=O)CCCCCCCCCCN2C(=O)C=CC2=O	VBRQKZUHWJXGLS-UHFFFAOYSA-N
DG51338	"2-Chloro-3-[(furan-2-ylmethyl)amino]naphthalene-1,4-dione"	239677	"MLS002608685; 22359-44-0; 2-chloro-3-[(furan-2-ylmethyl)amino]naphthalene-1,4-dione; NSC45029; BAS 03200115; 1, 2-chloro-3-furfurylamino-; CHEMBL1708891; DTXSID10286353; HMS3078I06; NSC-45029; STK710696; AKOS000596478; ZINC100486288; MCULE-3096413528; SR-01000323412; SR-01000323412-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45029	.	.	.	.	287.7	C15H10ClNO3	59.3	460	3.1	20	1	4	3	"InChI=1S/C15H10ClNO3/c16-12-13(17-8-9-4-3-7-20-9)15(19)11-6-2-1-5-10(11)14(12)18/h1-7,17H,8H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CC=CO3	HUQAZTJPZNRJDY-UHFFFAOYSA-N
DG51339	2-phenyl-1-(1H-tetrazol-5-yl)-ethylamine	239705	NSC45074; 31603-06-2; 2-phenyl-1-(2h-tetrazol-5-yl)ethanamine; 2-phenyl-1-(1H-tetrazol-5-yl)-ethylamine; MLS002608689; NSC-45074; SCHEMBL7507014; CHEMBL1707086; DTXSID00286367; HMS3080L17; MFCD21875408; NCI60_004034; SMR001527434; 1-(1H-Tetrazole-5-yl)-2-phenylethanamine; 2-phenyl-1-(1H-tetraazol-5-yl)ethanamine; J3.545.223K	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45074	.	.	.	.	189.22	C9H11N5	80.5	169	0.4	14	2	4	3	"InChI=1S/C9H11N5/c10-8(9-11-13-14-12-9)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12,13,14)"	C1=CC=C(C=C1)CC(C2=NNN=N2)N	NXQBRADSLPEODL-UHFFFAOYSA-N
DG51340	"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	239729	"NSC45114; NSC-45114; 5389-30-0; NCIStruc1_000593; NCIStruc2_000341; CHEMBL1408498; DTXSID10286378; NCI45114; ZINC1677218; CCG-37645; NCGC00013538; NCGC00013538-02; NCGC00096651-01; NCI60_004035; (methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45114	.	.	.	.	298.5	C10H10Cl3NO3	60.8	280	0.6	17	2	4	4	"InChI=1S/C10H10Cl3NO3/c1-14(4-8(15)16)3-5-9(13)6(11)2-7(12)10(5)17/h2,17H,3-4H2,1H3,(H,15,16)"	CN(CC1=C(C(=CC(=C1Cl)Cl)Cl)O)CC(=O)O	AFNKCFYOQROHMA-UHFFFAOYSA-N
DG51341	NSC45236	239763	"4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one; NSC45236; MLS002702850; 1554-32-1; NSC-45236; 4,4,4-trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one; CHEMBL1871209; DTXSID90286391; NCI60_004048; SMR001566672"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45236	.	.	.	.	416.5	C23H35F3O3	57.5	650	5.3	29	2	6	3	"InChI=1S/C23H35F3O3/c1-21-9-7-14(27)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19(28)12-20(29)23(24,25)26/h13-18,20,27,29H,3-12H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CC(C(F)(F)F)O)C)O	JVSPILBDVWXPBS-UHFFFAOYSA-N
DG51342	2-((4-Amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide	239838	"NSC45527; MLS000736601; NSC-45527; 6300-10-3; Hit compound, 7; NCIStruc1_001114; NCIStruc2_001369; CHEMBL1437962; CHEMBL1475360; CHEMBL1995652; SCHEMBL13990180; BDBM92565; DTXSID60286409; HMS2885D11; NCI45527; CCG-36799; NCGC00013545; ZINC18166590; ZINC100134226; NCGC00013545-02; NCGC00096658-01; NCI60_004056; SMR000528213; 2-((4-amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45527	.	.	.	.	304.37	C14H16N4O2S	119	474	2.3	21	2	6	3	"InChI=1S/C14H16N4O2S/c1-9-3-5-13(14(7-9)21(16,19)20)18-17-12-6-4-11(15)8-10(12)2/h3-8H,15H2,1-2H3,(H2,16,19,20)"	CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N)C)S(=O)(=O)N	UFCBDPKSFCONKF-UHFFFAOYSA-N
DG51343	3-hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide	239856	NSC45595; 6300-51-2; CHEMBL2001426; NSC-45595; ZINC17303183; ZINC104367057; NCI60_004077; 4-[(3-Nitrophenyl)azo]-3-hydroxy-2-naphthalenecarboanilide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45595	.	.	.	.	412.4	C23H16N4O4	120	661	5.8	31	2	6	4	"InChI=1S/C23H16N4O4/c28-22-20(23(29)24-16-8-2-1-3-9-16)13-15-7-4-5-12-19(15)21(22)26-25-17-10-6-11-18(14-17)27(30)31/h1-14,28H,(H,24,29)"	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=CC=C4)[N+](=O)[O-]	QSFJILOAMVJLLT-UHFFFAOYSA-N
DG51344	3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide	239857	NSC45596; 6300-52-3; 3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide; CHEMBL1994520; SCHEMBL18216957; DTXSID80430629; NSC-45596; ZINC17303185; AKOS024274914; ZINC104367061; MCULE-7107533007; NCI60_004078; 1-(4-nitrophenylazo)-2-hydroxynaphthalene-3-carboxanilide; 4-[(4-Nitrophenyl)azo]-3-hydroxy-2-naphthalenecarboanilide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45596	.	.	.	.	412.4	C23H16N4O4	120	653	5.8	31	2	6	4	"InChI=1S/C23H16N4O4/c28-22-20(23(29)24-16-7-2-1-3-8-16)14-15-6-4-5-9-19(15)21(22)26-25-17-10-12-18(13-11-17)27(30)31/h1-14,28H,(H,24,29)"	C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-]	VZEZEKXEFKSTBJ-UHFFFAOYSA-N
DG51345	"N1-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	239932	"NSC45730; NSC-45730; 6297-84-3; NCIStruc1_001276; NCIStruc2_001291; CHEMBL1598887; DTXSID80286426; NCI45730; ZINC1677542; CCG-36713; NCGC00013552; NCGC00013552-02; NCGC00096665-01; NCI60_004080; N1-(7-chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45730	.	.	.	.	317.9	C18H24ClN3	28.2	349	4.4	22	1	3	5	"InChI=1S/C18H24ClN3/c1-22(2)11-5-10-20-18-14-6-3-4-7-16(14)21-17-9-8-13(19)12-15(17)18/h8-9,12H,3-7,10-11H2,1-2H3,(H,20,21)"	CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl	SGFKZQRIWFBYKO-UHFFFAOYSA-N
DG51346	1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea	240061	NSC45940; MLS002608746; 6298-30-2; CHEMBL1733762; DTXSID90286472; HMS3078H13; ZINC4806211; NSC-45940; SMR001527490	.	.	Investigative Drug(s)	Investigative	Small molecular drug	45940	.	.	.	.	490.5	C26H26N4O6	127	654	2.7	36	4	6	9	"InChI=1S/C26H26N4O6/c1-33-23-13-17(29-25(31)27-15-19-5-3-11-35-19)7-9-21(23)22-10-8-18(14-24(22)34-2)30-26(32)28-16-20-6-4-12-36-20/h3-14H,15-16H2,1-2H3,(H2,27,29,31)(H2,28,30,32)"	COC1=C(C=CC(=C1)NC(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CO4)OC	GIFPLDMVYOENAC-UHFFFAOYSA-N
DG51347	1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea	240168	MLS000736616; NSC46213; 6341-38-4; 1-(4-ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea; CHEMBL1491280; DTXSID60286500; ZINC1677892; NSC-46213; SMR000528220	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46213	.	.	.	.	312.4	C19H24N2O2	50.4	364	4.3	23	2	2	5	"InChI=1S/C19H24N2O2/c1-5-23-17-10-8-16(9-11-17)20-19(22)21-18-12-15(13(2)3)7-6-14(18)4/h6-13H,5H2,1-4H3,(H2,20,21,22)"	CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(C)C)C	ZYDWOONFLRQTIK-UHFFFAOYSA-N
DG51348	(1-(Ethoxycarbonyl)-2-oxocyclopentyl)acetic acid	240444	NSC46647; 6342-78-5; NSC-46647; CHEMBL1988941; DTXSID80286603; NCI60_004099; (1-(ethoxycarbonyl)-2-oxocyclopentyl)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46647	.	.	.	.	214.21	C10H14O5	80.7	296	0.2	15	1	5	5	"InChI=1S/C10H14O5/c1-2-15-9(14)10(6-8(12)13)5-3-4-7(10)11/h2-6H2,1H3,(H,12,13)"	CCOC(=O)C1(CCCC1=O)CC(=O)O	JJTRRJRRBRCVSC-UHFFFAOYSA-N
DG51349	"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone"	240478	"MLS002667087; 6342-99-0; (4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone; NSC46683; (4-methoxyphenyl)-(2,3,4-trimethoxyphenyl)methanone; CHEMBL596358; SCHEMBL13496615; DTXSID00286625; HMS3088L16; ZINC1678824; NSC-46683; SMR001556859; DS-007783"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	46683	.	.	.	.	302.32	C17H18O5	54	351	3.3	22	0	5	6	"InChI=1S/C17H18O5/c1-19-12-7-5-11(6-8-12)15(18)13-9-10-14(20-2)17(22-4)16(13)21-3/h5-10H,1-4H3"	COC1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)OC)OC	XOAIHPXZWMXWPP-UHFFFAOYSA-N
DG51350	"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide"	240739	"MLS002667101; SMR001556873; NSC47384; 7-amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide; cid_240739; CHEMBL1734083; BDBM80810; HMS3088N12; ZINC4705927; NSC-47384; SR-01000878897; SR-01000878897-2; 7-amino-6-chloro-5,8-dioxo-2-naphthalenesulfonamide; 7-amino-6-chloro-5,8-diketo-naphthalene-2-sulfonamide; 7-azanyl-6-chloranyl-5,8-bis(oxidanylidene)naphthalene-2-sulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47384	.	.	.	.	286.69	C10H7ClN2O4S	129	549	0.6	18	2	6	1	"InChI=1S/C10H7ClN2O4S/c11-7-8(12)10(15)6-3-4(18(13,16)17)1-2-5(6)9(7)14/h1-3H,12H2,(H2,13,16,17)"	C1=CC2=C(C=C1S(=O)(=O)N)C(=O)C(=C(C2=O)Cl)N	ICJBRQPJQVOTDH-UHFFFAOYSA-N
DG51351	Fluorometholone acetate	240767	"FLUOROMETHOLONE ACETATE; 3801-06-7; Eflone; Oxylone acetate; Flarex; Fluorometholone 17-acetate; Fluorometholone acetate [USAN:USP]; NSC 47438; UNII-9I50C3I3OK; 9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate; 9I50C3I3OK; CHEBI:78354; NSC-47438; AI3-52814; U-17323; [(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate; U-17,323; 6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone; NSC47438; Flarex (TN); fluorometholone-acetate; SCHEMBL43184; U 17323; Fluorometholone acetate (USP); CHEMBL1201064; C24H31FO5; DTXSID20191424; HY-B1471; ZINC4213357; EINECS 223-270-3; MFCD00866062; s4228; AKOS025401542; AC-2172; CCG-268873; NCGC00373228-02; BS-16978; NCI60_004118; CS-0013170; SW219098-1; D04221; D81740; AB00641960_02; 801F067; U 17,323; Fluorometholone acetate 100 microg/mL in Acetonitrile; Q27105082; Progesterone,17-dihydroxy-6.alpha.-methyl-,17-acetate; (6alpha,11beta)-9-fluoro-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate; 17-(Acetyloxy)-9-fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; 9-fluoro-11beta-hydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate; Pregna-1,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-; Pregna-1,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-, 17-acetate; (1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0 , .0  ,  ]heptadeca-3,6-dien-14-yl acetate; Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6alpha,11beta)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47438	.	.	.	.	418.5	C24H31FO5	80.7	892	2.6	30	1	6	3	"InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C	YRFXGQHBPBMFHW-SBTZIJSASA-N
DG51352	"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene"	240863	NSC47657; ZINC1679387; NSC-47657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47657	.	.	.	.	328.2	C13H7F3N2O5	101	448	3.6	23	0	8	2	"InChI=1S/C13H7F3N2O5/c14-13(15,16)8-2-1-3-10(6-8)23-12-5-4-9(17(19)20)7-11(12)18(21)22/h1-7H"	C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F	XKJFTQLTCVTSNS-UHFFFAOYSA-N
DG51353	"6-((2,4-dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine"	240896	"NSC47786; 94094-16-3; NSC-47786; CHEMBL1608337; DTXSID20286809; NCI47786; ZINC1679436; CCG-36956; NCGC00013578; NCGC00013578-02; NCGC00096691-01; NCI60_004129; 9H-Purine,4-dichlorobenzylthio)-9-isobutyl-; 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine; 6-((2,4-dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine; 9H-Purin-2-amine,4-dichlorophenyl)methyl]thio]-9-(2-methylpropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	47786	.	.	.	.	382.3	C16H17Cl2N5S	94.9	416	4.6	24	1	5	5	"InChI=1S/C16H17Cl2N5S/c1-9(2)6-23-8-20-13-14(23)21-16(19)22-15(13)24-7-10-3-4-11(17)5-12(10)18/h3-5,8-9H,6-7H2,1-2H3,(H2,19,21,22)"	CC(C)CN1C=NC2=C1N=C(N=C2SCC3=C(C=C(C=C3)Cl)Cl)N	MLXSKOFAXKBMOL-UHFFFAOYSA-N
DG51354	"Cytidine, 2'-deoxy-5-fluoro-"	240980	"Cytidine, 2'-deoxy-5-fluoro-; FdCyd; MLS002702854; 4-amino-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; Cytidine, 2'-deoxy-5-fluoro-;Cytidine, 2'-deoxy-5-fluoro-; Ro 5-1090; 5-Flurodeoxycytidine; 5-fluor-deoxycytidine; CHEMBL110020; SCHEMBL16212282; NSC48006; MCULE-9485124469; SB17172; SMR001566676; FT-0600855; WLN: T6N CNJ DZ EF F- BT5OTJ EO1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48006	.	.	.	.	245.21	C9H12FN3O4	108	398	-1.5	17	3	5	2	"InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)"	C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O	IDYKCXHJJGMAEV-UHFFFAOYSA-N
DG51355	"Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-"	241000	"NSC48034; CHEMBL1990702; ZINC1679542; NSC-48034; NCI60_004138; Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-; Aziridine,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-; 1-((4-(2-(1-Aziridinyl)-2-oxoethyl)-2,3,5,6-tetramethylphenyl)acetyl)aziridine; Aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(1-oxo-2,1-ethanediyl)]bis-; Aziridine,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(1-oxo-2,1-ethanediyl)]bis-; 1-(aziridin-1-yl)-2-[4-[2-(aziridin-1-yl)-2-oxo-ethyl]-2,3,5,6-tetramethyl-phenyl]ethanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48034	.	.	.	.	300.4	C18H24N2O2	40.2	398	1.7	22	0	2	4	"InChI=1S/C18H24N2O2/c1-11-12(2)16(10-18(22)20-7-8-20)14(4)13(3)15(11)9-17(21)19-5-6-19/h5-10H2,1-4H3"	CC1=C(C(=C(C(=C1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C	AEWRLJFSKWRMTB-UHFFFAOYSA-N
DG51356	4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)phenol	241052	NSC48151; 4660-54-2; 4-tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)phenol; NSC-48151; 4-tert-butyl-2-[[(5-tert-butyl-2-hydroxyphenyl)methyl-cyclohexylamino]methyl]phenol; NCIMech_000212; NCIStruc1_001185; NCIStruc2_000980; CHEMBL1494099; SCHEMBL13038427; DTXSID90286876; NCI48151; ZINC1679626; CCG-35324; CCG-37341; NCGC00013586; NCGC00013586-02; NCGC00096699-01; NCI60_004140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48151	.	.	.	.	423.6	C28H41NO2	43.7	502	7.7	31	2	3	7	"InChI=1S/C28H41NO2/c1-27(2,3)22-12-14-25(30)20(16-22)18-29(24-10-8-7-9-11-24)19-21-17-23(28(4,5)6)13-15-26(21)31/h12-17,24,30-31H,7-11,18-19H2,1-6H3"	CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3CCCCC3	KLGRWWNBLUHQPB-UHFFFAOYSA-N
DG51357	4-Tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol	241059	NSC48160; 6640-90-0; 4-tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol; TBMMP; 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-methylphenol; NSC-48160; NCIStruc1_000477; NCIStruc2_000423; CHEMBL1399994; DTXSID00286882; NCI48160; ZINC1679634; CCG-37715; NCGC00013587; NCGC00013587-02; NCGC00096700-01; NCI60_004141	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48160	.	.	.	.	275.4	C18H29NO	32.299	290	4.8	20	2	2	4	"InChI=1S/C18H29NO/c1-13-10-15(18(2,3)4)11-14(17(13)20)12-19-16-8-6-5-7-9-16/h10-11,16,19-20H,5-9,12H2,1-4H3"	CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C	DVMJYVSFWOSELO-UHFFFAOYSA-N
DG51358	1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol	241061	NSC48162; 6640-91-1; NSC-48162; NCIStruc1_001073; NCIStruc2_001575; CHEMBL1574693; CHEMBL1996052; DTXSID50418050; NCI48162; CCG-36838; NCGC00013588; ZINC12671689; ZINC96901458; NCGC00013588-02; NCGC00096701-01; NCI60_004142; 1-((((2-hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol; 1-[[[(2-Hydroxynaphthalene-1-yl)methyl]imino]methyl]naphthalene-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48162	.	.	.	.	327.4	C22H17NO2	52.8	465	4.9	25	2	3	3	"InChI=1S/C22H17NO2/c24-21-11-9-15-5-1-3-7-17(15)19(21)13-23-14-20-18-8-4-2-6-16(18)10-12-22(20)25/h1-13,24-25H,14H2"	C1=CC=C2C(=C1)C=CC(=C2CN=CC3=C(C=CC4=CC=CC=C43)O)O	FQPAVMLGOVHHFR-UHFFFAOYSA-N
DG51359	"2-(3,4-Dimethoxyphenyl)benzothiazole"	241105	"2-(3,4-Dimethoxyphenyl)benzothiazole; 2-(3,4-dimethoxyphenyl)-1,3-benzothiazole; 6638-45-5; Benzothiazole, 2-(3,4-dimethoxyphenyl)-; CHEMBL201610; Benzothiazole,2-(3,5-dimethoxyphenyl)-; 2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazol; NSC48229; 2-(3,4-DIMETHOXY-PHENYL)-BENZOTHIAZOLE; SCHEMBL4799251; NIOSH/DL3650000; DTXSID20985022; ZINC1508712; AC6560; ARK100766; BDBM50293115; MFCD00993892; NSC-48229; STL497886; AKOS030211284; SY046137; 2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazole; DL36500000; A838684; A924134"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48229	.	.	.	.	271.3	C15H13NO2S	59.6	302	4.2	19	0	4	3	"InChI=1S/C15H13NO2S/c1-17-12-8-7-10(9-13(12)18-2)15-16-11-5-3-4-6-14(11)19-15/h3-9H,1-2H3"	COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC	JMSHSEQKUVZWNO-UHFFFAOYSA-N
DG51360	4-(4-Arsonobenzyl)phenylarsonic acid	241158	NSC48300; NSC-48300; NCIStruc1_000983; NCIStruc2_001130; SCHEMBL345316; ANTINEOPLASTIC-48300; CHEMBL1091971; NCI48300; CCG-37340; NCGC00013593; 4-(4-arsonobenzyl)phenylarsonic acid; NCGC00013593-02; NCGC00096706-01; NCI60_004149	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48300	.	.	.	.	416.09	C13H14As2O6	115	386	.	21	4	6	4	"InChI=1S/C13H14As2O6/c16-14(17,18)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(19,20)21/h1-8H,9H2,(H2,16,17,18)(H2,19,20,21)"	C1=CC(=CC=C1CC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O	LONYFCOVHHQLGM-UHFFFAOYSA-N
DG51361	"2-Ethylsulfanylnaphthalene-1,4-dione"	241362	"GNF-Pf-2144; CHEMBL531383; 2-ethylthio-1,4-naphthoquinone; 36623-66-2; 2-ethylsulfanylnaphthalene-1,4-dione; NSC48648; SCHEMBL2599376; DTXSID90287020; BDBM50430488; NSC-48648; 2-(ethylsulfanyl)-1,4-dihydronaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48648	.	.	.	.	218.27	C12H10O2S	59.4	320	2.4	15	0	3	2	"InChI=1S/C12H10O2S/c1-2-15-11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7H,2H2,1H3"	CCSC1=CC(=O)C2=CC=CC=C2C1=O	JTIVMHQHPSUHGV-UHFFFAOYSA-N
DG51362	"2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)"	241461	"92434-82-7; NSC48856; DTXSID80287074; ZINC1681076; NSC-48856; 2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48856	.	.	.	.	558.9	C15H13Br4NO2	43.7	330	5.3	22	2	3	4	"InChI=1S/C15H13Br4NO2/c1-20(6-8-2-10(16)4-12(18)14(8)21)7-9-3-11(17)5-13(19)15(9)22/h2-5,21-22H,6-7H2,1H3"	CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C(=CC(=C2)Br)Br)O	GPUQTFCKYDVYTD-UHFFFAOYSA-N
DG51363	"2,6-Dichloro-4-((cyclohexyl(3,5-dichloro-4-hydroxybenzyl)amino)methyl)phenol"	241476	"NSC48874; 6640-40-0; NSC-48874; 2,6-dichloro-4-((cyclohexyl(3,5-dichloro-4-hydroxybenzyl)amino)methyl)phenol; Probes1_000359; Probes2_000027; NCIStruc1_001225; NCIStruc2_001250; CHEMBL1491009; DTXSID10287082; NCI48874; CCG-37188; NCGC00013610; ZINC31628985; NCGC00013610-02; NCGC00096722-01; NCI60_004171"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48874	.	.	.	.	449.2	C20H21Cl4NO2	43.7	409	6.9	27	2	3	5	"InChI=1S/C20H21Cl4NO2/c21-15-6-12(7-16(22)19(15)26)10-25(14-4-2-1-3-5-14)11-13-8-17(23)20(27)18(24)9-13/h6-9,14,26-27H,1-5,10-11H2"	C1CCC(CC1)N(CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC(=C(C(=C3)Cl)O)Cl	LKJZEILBCMUOMY-UHFFFAOYSA-N
DG51364	"1,2,3,4-Tetrahydroquinolin-8-ol"	241490	"6640-50-2; 1,2,3,4-tetrahydroquinolin-8-ol; 8-hydroxy-1,2,3,4-tetrahydroquinoline; 1,2,3,4-tetrahydro-8-hydroxyquinoline; 1,2,3,4-Tetrahydro-quinolin-8-ol; 8-Quinolinol, 1,2,3,4-tetrahydro-; 8-hydroxy-1,2,3,4-tetrahydro-quinoline; 1,2,3,4-tetrahydro-8-quinolinol; MFCD02656029; NSC48890; Oprea1_810842; SCHEMBL327043; DTXSID00287096; HMS1685G10; ZINC332911; ACT10761; 1,2,3,4-Tetrahydroquinoline-8-ol; NSC-48890; STK771614; AKOS000122477; AC-9571; CS-W002942; ET-0012; MCULE-2707448798; SY010056; METHYL3-(3-BORONOPHENYL)PROPIONATE; 8-HYDROXY-1234-TETRAHYDROQUINOLINE; DB-029391; AM20061046; BB 0216335; FT-0606193; W7741; EN300-07172; 1,2,3,4-Tetrahydroquinolin-8-ol, AldrichCPR; A26301; 640T502; AF-399/25108090; J-519264; J-519441; Z57001601"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48890	.	.	.	.	149.19	C9H11NO	32.299	138	1.9	11	2	2	0	"InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10-11H,2,4,6H2"	C1CC2=C(C(=CC=C2)O)NC1	WYKWUPMZBGOFOV-UHFFFAOYSA-N
DG51365	8-Hydroxy-5-quinolyl phenyl ketone	241492	8-Hydroxy-5-quinolyl phenyl ketone; 1028-71-3; NSC48892; 5-benzoyl-8-quinolinol; 5-BENZOYLQUINOLIN-8-OL; SCHEMBL10582092; DTXSID60287097; ZINC8616897; NSC-48892; AKOS019823279; (8-hydroxyquinolin-5-yl)phenylmethanone; (8-hydroxy-5-quinolyl)-phenyl-methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48892	.	.	.	.	249.26	C16H11NO2	50.2	325	3.6	19	1	3	2	"InChI=1S/C16H11NO2/c18-14-9-8-13(12-7-4-10-17-15(12)14)16(19)11-5-2-1-3-6-11/h1-10,18H"	C1=CC=C(C=C1)C(=O)C2=C3C=CC=NC3=C(C=C2)O	JVHWRVMKLLDQHF-UHFFFAOYSA-N
DG51366	"1,2,3,4-Tetrahydroquinoxalin-6-amine"	241506	"1,2,3,4-tetrahydroquinoxalin-6-amine; 6639-91-4; 1,2,3,4-TETRAHYDRO-QUINOXALIN-6-YLAMINE; NSC48956; 6-aminotetrahydroquinoxalin; SCHEMBL8090871; CHEMBL2006838; DTXSID50985035; ZINC8615315; 0199AC; NSC-48956; AKOS006326418; A913826"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	48956	.	.	.	.	149.19	C8H11N3	50.1	137	1	11	3	3	0	"InChI=1S/C8H11N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10-11H,3-4,9H2"	C1CNC2=C(N1)C=CC(=C2)N	HNWOXIYAKHJJIM-UHFFFAOYSA-N
DG51367	"2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide"	241732	"2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide; 477483-36-6; NSC49565; ZINC1681448; MFCD03193020; NSC-49565; STL405613; AKOS003979688; MCULE-4498861767; AG-690/15438096"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49565	.	.	.	.	275.4	C15H17NO2S	54.6	379	3.5	19	1	3	3	"InChI=1S/C15H17NO2S/c1-11-5-8-14(9-6-11)16-19(17,18)15-10-12(2)4-7-13(15)3/h4-10,16H,1-3H3"	CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C	RXODHAOSXMZWRZ-UHFFFAOYSA-N
DG51368	"2-(N,N-Bis(2-bromoethyl)amino)fluorene"	241801	"n,n-bis(2-bromoethyl)-9h-fluoren-2-amine; 2-(N,N-BIS(2-BROMOETHYL)AMINO)FLUORENE; 6036-92-6; NSC49670; ZINC1681524; NSC-49670; NSC142543; AKOS024432066; MCULE-1595925280; NSC-142543; 9H-Fluoren-2-amine,N-bis(2-bromoethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142543	.	.	.	.	395.1	C17H17Br2N	3.2	303	5.5	20	0	1	5	"InChI=1S/C17H17Br2N/c18-7-9-20(10-8-19)15-5-6-17-14(12-15)11-13-3-1-2-4-16(13)17/h1-6,12H,7-11H2"	C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCBr)CCBr	WXJPSQUPGYKDNY-UHFFFAOYSA-N
DG51369	Benzhydrylsulfonylsulfanylmethylbenzene	241855	NSC49733; benzhydrylsulfonylsulfanylmethylbenzene; CHEMBL1978189; ZINC1681586; NSC-49733; S-Benzyl diphenylmethanesulfonothioate; NCI60_004197	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49733	.	.	.	.	354.5	C20H18O2S2	67.8	433	4.7	24	0	3	6	"InChI=1S/C20H18O2S2/c21-24(22,23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2"	C1=CC=C(C=C1)CSS(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3	XINRYQIHCBXJRR-UHFFFAOYSA-N
DG51370	Vincaleukoblastine sulfate	241902	"Vinblastine sulfate; 143-67-9; VLB monosulfate; Vinblastine 5; Vincaleukoblastine sulfate; Vinblastine sulphate; Velban (TN); Exal (TN); Vincaleukoblastine sulfate (1:1) (salt); Belvan, VLB; NSC49842; NSC 49842; CHEBI:9984; Vincaleucoblastine sulfate; 29060 LE; Vincaleukoblastine sulfate salt; MFCD08706468; Vinblastine, hydrate; MFCD00082457; Velban (TN) (Lilly); Vincaleukoblastine, hydrate; Vinblastine Sulfate Hydrate; SCHEMBL3550; Vincaleukoblastine, monohydrate; CHEMBL376464; C46H58N4O9.H2SO4; C46H60N4O13S; Vinblastine sulfate (JP17/USP); DTXSID601017133; HMS3412C14; HMS3676C14; AKOS024456494; AS-12480; FT-0603354; VLB; D01068; Q27108547; Z2241984238; 1217677-42-3; methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate; sulfuric acid; WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6 D596A EN ON & & TTJ CVO1 Q; WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6D596A EN ON & & TTJ CVO1 Q"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	49842	.	.	.	.	909.1	C46H60N4O13S	237	1780	.	64	5	16	10	"InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	KDQAABAKXDWYSZ-JKDPCDLQSA-N
DG51371	"2-(2-Chlorophenyl)-2,3-dihydro-4h-chromen-4-one"	242063	"2-(2-chlorophenyl)-2,3-dihydrochromen-4-one; 2-(2-chlorophenyl)-2,3-dihydro-4h-chromen-4-one; 6344-24-7; NSC-50188; 2'-Chloroflavanone; NSC50188; Maybridge3_005227; CHEMBL483389; SCHEMBL1891296; DTXSID00287298; HMS1445N13; CCG-249076; MCULE-2628037339; IDI1_016614; NCI60_004207"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50188	.	.	.	.	258.7	C15H11ClO2	26.3	318	3.5	18	0	2	1	"InChI=1S/C15H11ClO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl	UHPRBHSQHQJOQU-UHFFFAOYSA-N
DG51372	3'-Chloroflavanone	242064	"3'-Chloroflavanone; NSC-50189; 1849-59-8; 2-(3-chlorophenyl)chroman-4-one; NSC50189; CHEMBL450820; SCHEMBL11246346; DTXSID60287299; NCI60_004208; 4H-1-Benzopyran-4-one, 2-(3-chlorophenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50189	.	.	.	.	258.7	C15H11ClO2	26.3	318	3.5	18	0	2	1	"InChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)Cl	MJHFWRDRSUAJIU-UHFFFAOYSA-N
DG51373	4'-Chloroflavanone	242065	"4'-Chloroflavanone; 2-(4-chlorophenyl)chroman-4-one; NSC-50190; NSC50190; 4'-chloro flavanone; 2-(4-chlorophenyl)-2,3-dihydrochromen-4-one; Oprea1_441212; 3034-10-4; CHEMBL482791; SCHEMBL11049080; NCI60_004209; EU-0019351; A836588; SR-01000533114; SR-01000533114-1; 2-(4-chlorophenyl)-3,4-dihydro-2H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50190	.	.	.	.	258.7	C15H11ClO2	26.3	310	3.8	18	0	2	1	"InChI=1S/C15H11ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2"	C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl	WPHGNXFETYBHNT-UHFFFAOYSA-N
DG51374	"Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-"	242100	"NSC50273; ZINC1681845; NSC-50273; Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-; ZINC104372280; 3-Pyridinamine, N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylene]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50273	.	.	.	.	336.3	C17H19Cl2N3	28.5	332	3.8	22	0	3	7	"InChI=1S/C17H19Cl2N3/c1-14-11-17(22(9-6-18)10-7-19)5-4-15(14)12-21-16-3-2-8-20-13-16/h2-5,8,11-13H,6-7,9-10H2,1H3"	CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CN=CC=C2	CHMHREPQHIKYOA-UHFFFAOYSA-N
DG51375	"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	242225	"NSC50567; NSC-50567; NCIStruc1_001187; NCIStruc2_001299; CHEMBL1525822; SCHEMBL14216635; NCI50567; ZINC1682024; CCG-36971; NCGC00013629; NCGC00013629-02; NCGC00096741-01; NCI60_004215; 4-((2,4-dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50567	.	.	.	.	365.3	C16H14Cl2N4S	90	402	4.8	23	1	5	3	"InChI=1S/C16H14Cl2N4S/c1-8-5-9(2)20-14-13(8)15(22-16(19)21-14)23-7-10-3-4-11(17)6-12(10)18/h3-6H,7H2,1-2H3,(H2,19,20,21,22)"	CC1=CC(=NC2=C1C(=NC(=N2)N)SCC3=C(C=C(C=C3)Cl)Cl)C	DKPSMHAGCCPLMX-UHFFFAOYSA-N
DG51376	1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide	242249	MLS000736670; NSC50648; 1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide; SMR000528239; 71835-65-9; 1-hydroxy-n-(3-nitrophenyl)-2-naphthamide; Oprea1_406416; cid_242249; CHEMBL1568877; SCHEMBL10890501; BDBM54386; DTXSID10992548; HMS2886O03; ZINC615883; NSC-50648; STK366297; AKOS005443215; MCULE-9311680229; MLS-0292305.0001; SR-01000286295; SR-01000286295-1; 1-hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide; N-(3-nitrophenyl)-1-oxidanyl-naphthalene-2-carboxamide; 1-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboximidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50648	.	.	.	.	308.29	C17H12N2O4	95.2	450	4	23	2	4	2	"InChI=1S/C17H12N2O4/c20-16-14-7-2-1-4-11(14)8-9-15(16)17(21)18-12-5-3-6-13(10-12)19(22)23/h1-10,20H,(H,18,21)"	C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]	CPIKPLOLVMTKGG-UHFFFAOYSA-N
DG51377	"5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	242314	"CHEMBL44914; MLS002667410; 6327-54-4; NSC50869; SCHEMBL6454938; DTXSID00287394; HMS3079K10; ZINC1682186; NSC-50869; SMR001557176; 5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	50869	.	.	.	.	316.3	C17H16O6	63.2	400	3	23	0	6	5	"InChI=1S/C17H16O6/c1-19-14-7-11(8-15(20-2)17(14)21-3)16(18)10-4-5-12-13(6-10)23-9-22-12/h4-8H,9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3	OIUSXYOSZDCLLJ-UHFFFAOYSA-N
DG51378	N-Acetylcolchinol	242436	"N-Acetylcolchinol; N-Acetyl colchinol; N-Acetylcolchicinol; 38838-26-5; Colchinol, N-acetyl-; SKF 2861; RSO 23274; UNII-US8HXQ60IM; US8HXQ60IM; MLS002667429; N-acetyl-colchinol; MLS001243434; CHEMBL486504; SCHEMBL5441108; DTXSID00959625; HMS2216F24; NCI 1894; NSC51045; ZINC3993835; NSC-51045; NCGC00247400-01; SMR000841585; N-(3-Hydroxy-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl)ethanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51045	.	.	.	.	357.4	C20H23NO5	77	487	2.6	26	2	5	4	"InChI=1S/C20H23NO5/c1-11(22)21-16-8-5-12-9-17(24-2)19(25-3)20(26-4)18(12)14-7-6-13(23)10-15(14)16/h6-7,9-10,16,23H,5,8H2,1-4H3,(H,21,22)/t16-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC	WJJZQSCOTJYYSP-INIZCTEOSA-N
DG51379	"2,3-Dihydro-1H-imidazo[1,2-b]pyrazole"	242471	"2,3-Dihydro-1H-imidazo[1,2-b]pyrazole; 6714-29-0; IMPY; Pyrazolo(2,3-a)imidazolidine; BA 21381; Imidazole-Pyrazole; NSC 51143; 2,3-Dihydro-1H-imidazo(1,2-b)pyrazole; 1H-Imidazo[1,2-b]pyrazole, 2,3-dihydro-; 1H-Pyrazolo(2,3-a)imidazole, 2,3-dihydro-; UNII-MX6Z942BKY; MX6Z942BKY; 1H-Imidazo[1,2-b]pyrazole,2,3-dihydro-; 1H-Imidazo(1,2-b)pyrazole, 2,3-dihydro-; Imidazolepyrazole; NSC51143; 2,2-b]pyrazole; pyrazoloimidazole; Pyrazolo[2,3-a]imidazolidine; 1H-Imidazo[1, 2,3-dihydro-; IMPY (antitumor agent); EINECS 229-769-2; NSC 174124; NSC 641280; BRN 0742753; AI3-63108; SCHEMBL1680162; SCHEMBL8833142; ZINC1555; CHEMBL1985849; DTXSID10878792; 1H-Pyrazolo[2, 2,3-dihydro-; MFCD00034805; NSC-51143; NSC174124; 1H,2H,3H-pyrazolo[1,5-a]imidazole; AKOS006348107; NSC-174124; NCI60_004236; 2,3-dihydro-1h-imidazolo[1,2-b]pyrazole; 2,3-dihydro-1H-imidazo[1,2-b]-pyrazole; 2,3-dihydro-1H-pyrazolo[1,5-a]imidazole; DB-073841; FT-0736032; W18662; F2147-1248; Z2692198900"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51143	.	.	.	.	109.13	C5H7N3	29.8	93.7	0.3	8	1	2	0	"InChI=1S/C5H7N3/c1-2-7-8-4-3-6-5(1)8/h1-2,6H,3-4H2"	C1CN2C(=CC=N2)N1	KPMVHELZNRNSMN-UHFFFAOYSA-N
DG51380	"3-(1,3-Benzothiazol-2-yl)phenol"	242605	"3-(1,3-benzothiazol-2-yl)phenol; 25389-28-0; MLS000063319; SMR000074978; C13H9NOS; Phenol,3-(2-benzothiazolyl)-; NSC51369; 3-(Benzothiazole-2-yl)phenol; CHEMBL149322; cid_242605; SCHEMBL2248827; BDBM33577; 2-(3-hydroxyphenyl)benzothiazole; 3-(benzo[d]thiazol-2-yl)phenol; DTXSID70287508; HMS2290D17; ZINC520300; ARK100537; NSC-51369; STL354265; AKOS003289889; MCULE-3752004537; NCI60_004244; 10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N; doi:10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N; SR-01000270411; SR-01000270411-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51369	.	.	.	.	227.28	C13H9NOS	61.4	248	3.9	16	1	3	1	"InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H"	C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O	JIWVTDBBMGSTFI-UHFFFAOYSA-N
DG51381	"n,n'-[2,5-Bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide"	242907	"4873-41-0; NSC51916; n,n'-[2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide; DTXSID10287643; NSC-51916; ZINC104374040; Heptanamide,N'-[3,6-bis(1-aziridinyl)-p-benzoquinon-2,5-ylene]bis-; Heptanamide,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	51916	.	.	.	.	444.6	C24H36N4O4	98.4	754	3.3	32	2	6	14	"InChI=1S/C24H36N4O4/c1-3-5-7-9-11-17(29)25-19-21(27-13-14-27)24(32)20(22(23(19)31)28-15-16-28)26-18(30)12-10-8-6-4-2/h3-16H2,1-2H3,(H,25,29)(H,26,30)"	CCCCCCC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)CCCCCC)N3CC3	DGHMMLJLIHHGAO-UHFFFAOYSA-N
DG51382	"1,4-Bis[(4-bromophenyl)sulfonyl]piperazine"	242937	"1,4-bis[(4-bromophenyl)sulfonyl]piperazine; NSC52003; NSC-52003; 107785-47-7; 1,4-bis((4-bromophenyl)sulfonyl)piperazine; NCIStruc1_000101; NCIStruc2_001550; Oprea1_152050; SCHEMBL9344505; CHEMBL1741464; ZINC703672; NCI52003; CCG-37479; NCGC00013645; AKOS000807450; MCULE-1785141270; NCGC00013645-02; NCGC00096757-01; NCI60_004259; 1,4-bis(4-bromobenzenesulfonyl)piperazine; N,N'-bis(4-bromobenzenesulfonyl)piperazine; AF-399/14739252; SR-01000444814; SR-01000444814-1; Z45412613"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52003	.	.	.	.	524.3	C16H16Br2N2O4S2	91.5	606	3.1	26	0	6	4	"InChI=1S/C16H16Br2N2O4S2/c17-13-1-5-15(6-2-13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-7-3-14(18)4-8-16/h1-8H,9-12H2"	C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br	DDRUIQJRPPUKBI-UHFFFAOYSA-N
DG51383	"1,5-Dimethyl-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraen-6-ol"	243149	MLS000736682; NSC60785; 22847-86-5; NCIOpen2_007742; CHEMBL4296828; SCHEMBL18310344; DTXSID30287761; NSC52422; NSC-52422; NSC-60785; SMR000528288	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60785	.	.	.	.	363.5	C25H33NO	36	605	6.1	27	2	1	0	"InChI=1S/C25H33NO/c1-24-12-11-20-17(19(24)9-10-23(24)27)8-7-15-13-22-18(14-25(15,20)2)16-5-3-4-6-21(16)26-22/h3-6,15,17,19-20,23,26-27H,7-14H2,1-2H3"	CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C	XAPHYNIJAGNNNA-UHFFFAOYSA-N
DG51384	6-((4-chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine	243154	NSC52440; MLS002667535; NSC-52440; CHEMBL1734803; HMS3080M04; 6-((4-chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine; NCI60_004278; SMR001557301	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52440	.	.	.	.	360.9	C17H17ClN4OS	78.1	410	3.8	24	0	5	4	"InChI=1S/C17H17ClN4OS/c18-13-6-4-12(5-7-13)9-24-17-15-16(19-10-20-17)22(11-21-15)14-3-1-2-8-23-14/h4-7,10-11,14H,1-3,8-9H2"	C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl	OCKAZLMFYPPBPL-UHFFFAOYSA-N
DG51385	"1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione"	243251	"6637-45-2; 1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione; 1-(Naphthalen-2-yl)-1H-pyrrole-2,5-dione; 1-naphthalen-2-ylpyrrole-2,5-dione; N-(2-Naphthalenyl)maleimide; MLS002667550; CHEMBL1714292; 1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-(2-naphthalenyl)-; NSC52627; N-(2-Naphthyl)maleimide; SCHEMBL2146237; ZINC50805; DTXSID70287821; HMS1775D19; HMS3079E12; BDBM50076447; MFCD00443960; NSC-52627; AKOS000116785; MCULE-3093840254; 1-(2-naphthyl)-1H-pyrrole-2,5-dione; SMR001557316; DB-073745; 1-(Naphthalen-2-yl)-1h-pyrrol-2,5-dione; CS-0219426; EU-0051201; FT-0605554; EN300-03981; SR-01000085969; J-503585; SR-01000085969-1; Z56755395"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	52627	.	.	.	.	223.23	C14H9NO2	37.4	356	2.3	17	0	2	1	InChI=1S/C14H9NO2/c16-13-7-8-14(17)15(13)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H	C1=CC=C2C=C(C=CC2=C1)N3C(=O)C=CC3=O	ISPTVBCAVIHHEF-UHFFFAOYSA-N
DG51386	"2,4,5-Trichloro-6-phenylpyrimidine"	243422	"86984-19-2; 2,4,5-trichloro-6-phenylpyrimidine; NSC53184; CHEMBL1991696; DTXSID60287895; ZINC1684367; NSC-53184; Pyrimidine, 2,4,5-trichloro-6-phenyl-; NCI60_004308"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53184	.	.	.	.	259.5	C10H5Cl3N2	25.8	209	4.4	15	0	2	1	InChI=1S/C10H5Cl3N2/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h1-5H	C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)Cl)Cl	SWSUERHELGJKRQ-UHFFFAOYSA-N
DG51387	Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate	243456	13555-25-4; NSC53292; CHEMBL2003419; DTXSID80929048; NSC-53292; NCI60_004310; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-3-phenylpropanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53292	.	.	.	.	522.5	C26H33Cl2N3O4	87.7	647	3.5	35	2	5	15	"InChI=1S/C26H33Cl2N3O4/c1-3-35-26(34)24(18-21-9-11-22(12-10-21)31(15-13-27)16-14-28)30-25(33)23(29-19(2)32)17-20-7-5-4-6-8-20/h4-12,23-24H,3,13-18H2,1-2H3,(H,29,32)(H,30,33)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC(=O)C	DGOPINOGGYUGAU-UHFFFAOYSA-N
DG51388	Actodigin	243498	"ACTODIGIN; Actinogen; ACTINOGAN; NSC53396; A 15920K644; 36983-69-4; NSC-53396; NCI60_004313; A 15920 K644; (3Beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl hexopyranoside; 24-Nor-5, 3-(.beta.-D-glucopyranosyloxy)-14,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-; 24-Norchol-20(22)-en-21-oic acid,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-; 3.beta.-(.beta.-D-Glucopyranosyloxy)-14,14.beta.-chol-20(22)-en-21-oic acid .gamma.-lactone; 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53396	.	.	.	.	536.7	C29H44O9	146	970	2.1	38	5	9	4	"InChI=1S/C29H44O9/c1-27-9-5-16(37-26-24(33)23(32)22(31)21(14-30)38-26)13-15(27)3-4-20-19(27)6-10-28(2)18(7-11-29(20,28)35)17-8-12-36-25(17)34/h8,15-16,18-24,26,30-33,35H,3-7,9-14H2,1-2H3/t15-,16+,18-,19+,20-,21 ,22 ,23 ,24 ,26 ,27+,28-,29+/m1/s1"	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CCOC5=O)O)C)OC6C(C(C(C(O6)CO)O)O)O	ACLJAFRNPZVVIW-SBCQLKMNSA-N
DG51389	2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate	243545	NSC53454; 2-[(4-bromophenyl)diazenyl]propan-2-yl acetate; 6943-54-0; NSC-53454; NCIStruc1_000468; NCIStruc2_000627; CHEMBL1362501; CHEMBL1977859; DTXSID20287932; CCG-37671; NCGC00013659; ZINC18099112; ZINC100133944; ZINC257351426; NCGC00013659-02; NCGC00096771-01; NCI60_004315; 1-((4-bromophenyl)diazenyl)-1-methylethyl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53454	.	.	.	.	285.14	C11H13BrN2O2	51	271	3.2	16	0	4	4	"InChI=1S/C11H13BrN2O2/c1-8(15)16-11(2,3)14-13-10-6-4-9(12)5-7-10/h4-7H,1-3H3"	CC(=O)OC(C)(C)N=NC1=CC=C(C=C1)Br	DZWBCPXUHPHPJR-UHFFFAOYSA-N
DG51390	Dihydrorotenone	243725	"Dihydrorotenone; 1',2'-Dihydrorotenone; 6659-45-6; Rotenone, dihydro-; S,S-Dihydrorotenone; 6',7'-Dihydrorotenone; UNII-538CX0LPPO; 538CX0LPPO; MLS000851173; NSC351138; SMR000457416; (1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one; 2-isopropyl-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydrochromeno[3,4-b]furo[2,3-h]chromen-6-one; Caswell No. 353; Dihydrorotenone (VAN); Rotenone, dihydro- (VAN); [1]Benzopyrano[3,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-; NSC 53866; EPA Pesticide Chemical Code 071002; NSC 351138; CHEMBL267630; cid_243725; DTXSID5041227; SCHEMBL19035536; BDBM97131; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R,6aS,12aS)-; HY-N4202; NSC53866; ZINC2008906; CCG-53362; MFCD01662620; NSC-53866; AKOS024419416; NSC-351138; CS-0032420; SR-01000642530; SR-01000767777; SR-01000642530-1; SR-01000642530-2; SR-01000767777-2; Q27261081; WLN: T G5 D6 B666 CV HO MO PO DU- L GU- KTTTT&J IY1&U1 SO1 TO1; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a-alphah)-one, 1,2,12,12a-alpha-tetrahydro-2-alpha-isopropyl-8,9-dimethoxy-; (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aalphaH)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropyl-8,9-dimethoxy- (8CI); (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethyl)-, (2R-(2alpha,6aalpha,12aalpha))- (9CI); [1]Benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropyl-8,9-dimethoxy-; 2-ISOPROPYL-8,9-DI-MEO-1,2,12,12A-4H-6AH-CHROMENO(3,4-B)FURO(2,3-H)CHROMEN-6-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53866	.	.	.	.	396.4	C23H24O6	63.2	623	4.2	29	0	6	3	"InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1"	CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC	DTFARBHXORYQBF-HBGVWJBISA-N
DG51391	6alpha-Methyl-21-desoxycortisol	243748	"UNII-6ZKS9Y205V; 6alpha-Methyl-21-desoxycortisol; NSC53892; 6ZKS9Y205V; 7055-53-0; CHEBI:79464; 6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone; 11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione; NSC-53892; SCHEMBL3395657; CHEMBL1999888; 11beta-Hydroxymedroxyprogesterone; ZINC4722534; NSC 53892; NCI60_004326; Q27148533; 11beta,17-dihydroxy-6alpha-methyl-pregn-4-ene-3,20-dione; Pregn-4-ene-3, 11.beta.,17-dihydroxy-6.alpha.-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	53892	.	.	.	.	360.5	C22H32O4	74.6	696	2	26	2	4	1	"InChI=1S/C22H32O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h10,12,15-16,18-19,25-26H,5-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O	VSGTWMOZGFNRPM-RSWUNGFYSA-N
DG51392	"Adenine, 9,9'ethylenebis(N,N-dimethyl-"	243877	"NSC54101; MLS002667655; NSC-54101; NCIStruc1_001183; NCIStruc2_001573; CHEMBL1414688; HMS3080E24; NCI54101; ZINC1684962; Adenine,9'ethylenebis(N,N-dimethyl-; CCG-37005; NCGC00013665; NCGC00013665-02; NCGC00096777-01; Adenine, 9,9'ethylenebis(N,N-dimethyl-; NCI60_004336; SMR001557415; 1H-Purin-6-amine,9'-ethylenebis(N,N-dimethyl-; 9,9'-Ethylenebis(N,N-dimethyl-9H-purine-6-amine); N-(9-(2-(6-(dimethylamino)-9H-purin-9-yl)ethyl)-9H-purin-6-yl)-N,N-dimethylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54101	.	.	.	.	352.4	C16H20N10	93.7	432	0.7	26	0	8	5	"InChI=1S/C16H20N10/c1-23(2)13-11-15(19-7-17-13)25(9-21-11)5-6-26-10-22-12-14(24(3)4)18-8-20-16(12)26/h7-10H,5-6H2,1-4H3"	CN(C)C1=NC=NC2=C1N=CN2CCN3C=NC4=C3N=CN=C4N(C)C	RWDBBSOPBZYBEH-UHFFFAOYSA-N
DG51393	"2-[6-(2-Hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	243943	"NSC54251; 2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; NSC-54251; Oprea1_420520; CBDivE_015141; CHEMBL296222; SCHEMBL20579787; DTXSID60874345; ADENOSINE,6N-2-HYDROXYETHYL; AKOS032947574; LS-14111; NCI60_004337; (2R,3R,4S,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54251	.	.	.	.	311.29	C12H17N5O5	146	378	-1.1	22	5	9	5	"InChI=1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)"	C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCO	BBOCDRLDMQHWJP-UHFFFAOYSA-N
DG51394	"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine"	243964	"NSC54278; MLS002667679; 6944-16-7; NSC-54278; SMR001557439; NCIStruc1_001199; NCIStruc2_001453; cid_243964; CHEMBL1409396; BDBM96197; DTXSID60288125; HMS3080G20; NCI54278; ZINC1685092; CCG-36686; NCGC00013667; 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine; NCGC00013667-02; NCGC00096779-01; NCI60_004338; [4-[(2-chlorobenzyl)thio]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-yl]amine; 4-((2-chlorobenzyl)thio)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine; 4-[(2-chlorophenyl)methylthio]-6,7-dimethyl-2-pyrido[2,3-d]pyrimidinamine; 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54278	.	.	.	.	330.8	C16H15ClN4S	90	372	4.2	22	1	5	3	"InChI=1S/C16H15ClN4S/c1-9-7-12-14(19-10(9)2)20-16(18)21-15(12)22-8-11-5-3-4-6-13(11)17/h3-7H,8H2,1-2H3,(H2,18,19,20,21)"	CC1=CC2=C(N=C1C)N=C(N=C2SCC3=CC=CC=C3Cl)N	IHYYXOQCBBWIHX-UHFFFAOYSA-N
DG51395	NSC54340	243988	"acetic acid;(2-amino-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate; NSC54340; NSC-54340; CHEMBL1994016; 2-aminopregn-5-en-3-yl acetate acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54340	.	.	.	.	419.6	C25H41NO4	89.6	644	.	30	2	5	3	"InChI=1S/C23H37NO2.C2H4O2/c1-5-15-7-9-18-17-8-6-16-12-21(26-14(2)25)20(24)13-23(16,4)19(17)10-11-22(15,18)3;1-2(3)4/h6,15,17-21H,5,7-13,24H2,1-4H3;1H3,(H,3,4)"	CCC1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)OC(=O)C)N)C)C.CC(=O)O	DBWJFDIGSQSORL-UHFFFAOYSA-N
DG51396	"2-(4-Nitrophenyl)-4,5-dihydro-1,3-oxazole"	244028	"2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole; 7465-63-6; 2-(4-Nitrophenyl)-4,5-dihydrooxazole; MLS000737294; oxazole, 4,5-dihydro-2-(4-nitrophenyl)-; NSC54393; Oxazole,4,5-dihydro-2-(4-nitrophenyl)-; SCHEMBL5611161; CHEMBL1577638; 2-(4-Nitrophenyl)-2-oxazoline; DTXSID10288155; HMS2885B24; ALBB-024126; ZINC1685188; MFCD06149933; NSC-54393; STK736137; AKOS001729169; MCULE-6497578242; 2-(4-nitrophenyl)-4,5-dihydro-oxazole; LS-07777; SMR000528251; AM20041108; CS-0319468; A915634"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54393	.	.	.	.	192.17	C9H8N2O3	67.4	251	1.3	14	0	4	1	"InChI=1S/C9H8N2O3/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4H,5-6H2"	C1COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]	MPQNFLWWBYWJGE-UHFFFAOYSA-N
DG51397	(5-Chloro-2-hydroxyphenyl)acetic acid	244199	"24161-38-4; 5-chloro-2-hydroxyphenylacetic acid; (5-chloro-2-hydroxyphenyl)acetic acid; 2-(5-chloro-2-hydroxyphenyl)acetic acid; NSC54854; Benzeneacetic acid,5-chloro-2-hydroxy-; NSC-54854; 5-Chloro-2-hydroxybenzeneacetic acid; NCIStruc1_000133; NCIStruc2_000241; SCHEMBL3141863; CHEMBL1742083; DTXSID30288238; NCI54854; ZINC1685368; AC5703; CCG-36557; MFCD11840335; NCGC00013675; Benzeneacetic acid, 5-chloro-2-hydroxy-; NCGC00013675-02; NCGC00096787-01; (5-chloro-2-hydroxy-phenyl)-acetic acid; AS-82672; NCI60_004351; SY198913; FT-0728834"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54854	.	.	.	.	186.59	C8H7ClO3	57.5	172	1.2	12	2	3	2	"InChI=1S/C8H7ClO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)"	C1=CC(=C(C=C1Cl)CC(=O)O)O	MXOUPSVVAIWFKQ-UHFFFAOYSA-N
DG51398	"Propan-1-one,3-dichloro-1,3-bis(4-methylphenyl)-"	244246	"NSC54909; CHEMBL1982886; NSC-54909; NCI60_004352; Propan-1-one,3-dichloro-1,3-bis(4-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	54909	.	.	.	.	307.2	C17H16Cl2O	17.1	315	5.1	20	0	1	4	"InChI=1S/C17H16Cl2O/c1-11-3-7-13(8-4-11)15(18)16(19)17(20)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3"	CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)Cl)Cl	VCSMFHVDNSKBFV-UHFFFAOYSA-N
DG51399	2-(Neopentylamino)ethanol	244282	"2-(neopentylamino)ethanol; 7403-68-1; 2-(2,2-dimethylpropylamino)ethanol; 2-[(2,2-dimethylpropyl)amino]ethan-1-ol; NSC55114; NSC-55114; 2-((2,2-dimethylpropyl)amino)ethanol; 2-neopentylamino-ethanol; NCIStruc1_001910; NCIStruc2_000245; SCHEMBL3427332; CHEMBL1741333; DTXSID10288256; NCI55114; ZINC1685544; CCG-37666; NCGC00013677; AKOS010413900; MCULE-3218044438; NCGC00013677-02; NCGC00096789-01; NCI60_004355; EN300-71265; 557769-81-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55114	.	.	.	.	131.22	C7H17NO	32.299	65.8	0.8	9	2	2	4	"InChI=1S/C7H17NO/c1-7(2,3)6-8-4-5-9/h8-9H,4-6H2,1-3H3"	CC(C)(C)CNCCO	MTPDACKXWMOHEB-UHFFFAOYSA-N
DG51400	n-(2-Nitrophenyl)-9h-xanthen-9-amine	244706	6630-79-1; n-(2-nitrophenyl)-9h-xanthen-9-amine; NSC55804; NCIOpen2_007419; DTXSID20288424; ZINC4707253; NSC-55804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55804	.	.	.	.	318.3	C19H14N2O3	67.1	430	5.1	24	1	4	2	"InChI=1S/C19H14N2O3/c22-21(23)16-10-4-3-9-15(16)20-19-13-7-1-5-11-17(13)24-18-12-6-2-8-14(18)19/h1-12,19-20H"	C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC4=CC=CC=C4[N+](=O)[O-]	UOUDUFDHSNINND-UHFFFAOYSA-N
DG51401	"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone"	244737	"6631-09-0; [4-(4-nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone; NSC55849; CHEMBL1997542; DTXSID40288441; NSC-55849; NCI60_004367"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55849	.	.	.	.	295.29	C16H13N3O3	87.6	446	3.2	22	0	5	3	"InChI=1S/C16H13N3O3/c20-16(12-4-2-1-3-5-12)15-14(10-17-18-15)11-6-8-13(9-7-11)19(21)22/h1-9,14-15H,10H2"	C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]	UZLZXBNRZHPDMM-UHFFFAOYSA-N
DG51402	"4-[(4-Hydroxyphenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-one"	244745	"Benzaurin; 569-60-8; NSC55861; 4-[(4-hydroxyphenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-one; CHEMBL1981412; SCHEMBL13123900; DTXSID40288446; ZINC4726295; NSC-55861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	55861	.	.	.	.	274.3	C19H14O2	37.3	452	4.2	21	1	2	2	"InChI=1S/C19H14O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,20H"	C1=CC=C(C=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O	IWNZKMGBKBEPSO-UHFFFAOYSA-N
DG51403	"1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine"	244818	"NSC56030; 1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine; [4-(2-ethylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; 500532-47-8; (4-(2-ethylphenyl)piperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone; Neuro_000022; CHEMBL1972064; Piperazine, 1-(o-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)-; Piperazine,4,5-trimethoxybenzoyl)-; ZINC1686703; AKOS001415823; MCULE-4321157821; NCI60_004368; VU0492740-1; AP-263/43302391; F3158-0136; 1-(2-ETHYLPHENYL)-4-(3,5-TRIMETHOXYBENZOYL)PIPERAZINE; Piperazine, 1-(2-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56030	.	.	.	.	384.5	C22H28N2O4	51.2	481	3.7	28	0	5	6	"InChI=1S/C22H28N2O4/c1-5-16-8-6-7-9-18(16)23-10-12-24(13-11-23)22(25)17-14-19(26-2)21(28-4)20(15-17)27-3/h6-9,14-15H,5,10-13H2,1-4H3"	CCC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC	GTFTUVWVYOUTFW-UHFFFAOYSA-N
DG51404	"5-[(5-bromo-6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1H-pyrimidine-2,4-dione"	244944	"MLS002667811; 7356-33-4; NSC56287; CHEMBL1865168; DTXSID50288518; HMS3079B06; ZINC1686841; NSC-56287; NCI60_004373; SMR001557569; 5-((5-Bromo-6-chloro-2-(methylthio)pyrimidin-4-yl)amino)pyrimidine-2,4(1H,3H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56287	.	.	.	.	364.61	C9H7BrClN5O2S	121	423	1.9	19	3	6	3	"InChI=1S/C9H7BrClN5O2S/c1-19-9-14-5(11)4(10)6(15-9)13-3-2-12-8(18)16-7(3)17/h2H,1H3,(H,13,14,15)(H2,12,16,17,18)"	CSC1=NC(=C(C(=N1)Cl)Br)NC2=CNC(=O)NC2=O	CEQJPHHLURECQL-UHFFFAOYSA-N
DG51405	Porfiromycine	244989	"Porfiromycine; Porphyromycin; MLS000766209; Mitomycin C, N-methyl-; Methylmitomycin; CHEMBL1983333; Methyl mitomycin C; NSC56410; N-Methylmitomycin C; Regamycin; ENT-50825; Nsc 56410; Profiromycin; Neuro_000023; SCHEMBL5047; CHEBI:182803; HMS2270B05; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate (ester); BDBM50235885; AKOS030254763; NCGC00246835-01; NCI60_004377; SMR000528838; u 14743; FT-0673976; WLN: T D3 B556 BN EN JV MVTTT&J E1 GO1 H1OVZ KZ L1; (11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate; (6-Amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate; (6-Amino-8a-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate #; 1-Methyl-6-amino-8a-methoxy-8-[(carbamoyloxy)methyl]-5-methyl-1,1a,2,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione; 6-Amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dionecarbamate (ester); Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-1,5-dimethyl-, carbamate; Azirino[2',3':3,4]pyrrolo[1,2-a]-indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, (1aS,8S,8aR,8bS)-; Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-1,5-dimethyl-, [1aS-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-1,5-dimethyl-, carbamate (ester); Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-1,5-dimethyl-,[1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56410	.	.	.	.	348.35	C16H20N4O5	128	787	-0.4	25	2	8	4	"InChI=1S/C16H20N4O5/c1-6-10(17)13(22)9-7(5-25-15(18)23)16(24-3)14-8(19(14)2)4-20(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N	HRHKSTOGXBBQCB-UHFFFAOYSA-N
DG51406	9-isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine	244996	NSC56452; NSC-56452; MLS002702863; CHEMBL1358137; SCHEMBL13669607; NCI56452; ZINC1687414; CCG-36987; NCGC00013684; NCGC00013684-02; NCGC00096795-01; NCI60_004379; SMR001566683; 9-isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56452	.	.	.	.	377.5	C21H23N5S	94.9	489	4.9	27	1	5	5	"InChI=1S/C21H23N5S/c1-13(2)10-26-12-23-18-19(26)24-21(22)25-20(18)27-11-17-14(3)8-9-15-6-4-5-7-16(15)17/h4-9,12-13H,10-11H2,1-3H3,(H2,22,24,25)"	CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3N=CN4CC(C)C)N	KUIRJFQCMORRRL-UHFFFAOYSA-N
DG51407	"N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine"	245068	"NSC56612; NCIOpen2_007652; CHEMBL144308; NSC-56612; 7597-09-3; Diethyl{4-[(7-methoxy(4-quinolyl))amino]pentyl}amine; N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine; N1,N1-diethyl-N4-(7-methoxy-4-quinolyl)pentane-1,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56612	.	.	.	.	315.5	C19H29N3O	37.4	322	4	23	1	4	9	"InChI=1S/C19H29N3O/c1-5-22(6-2)13-7-8-15(3)21-18-11-12-20-19-14-16(23-4)9-10-17(18)19/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21)"	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC	UPZNYIXLPMJBBS-UHFFFAOYSA-N
DG51408	7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine	245078	NSC56624; NSC-56624; 6632-99-1; 7-chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine; NCIStruc1_001265; NCIStruc2_001571; CHEMBL1336782; CHEMBL1994063; DTXSID80984915; NCI56624; ZINC1687514; CCG-36526; NCGC00013685; NCGC00013685-02; NCGC00096796-01; NCI60_004383; 7-chloro-N-(4-(1-piperidinyl)cyclohexyl)-4-quinolinamine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56624	.	.	.	.	343.9	C20H26ClN3	28.2	390	5.1	24	1	3	3	"InChI=1S/C20H26ClN3/c21-15-4-9-18-19(10-11-22-20(18)14-15)23-16-5-7-17(8-6-16)24-12-2-1-3-13-24/h4,9-11,14,16-17H,1-3,5-8,12-13H2,(H,22,23)"	C1CCN(CC1)C2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl	SVJCZPVZDHLIEP-UHFFFAOYSA-N
DG51409	"2,5-Diphenyl-1,4-dithiin"	245172	"2,5-Diphenyl-1,4-dithiin; 4159-03-9; 2,5-Diphenyl-1,4-dithiine; NSC56805; 2,4-dithiin; p-Dithiin,5-diphenyl-; 1, 2,5-diphenyl-; p-Dithiin, 2,5-diphenyl-; CHEMBL2007539; SCHEMBL11342437; 1,4-Dithiin, 2,5-diphenyl-; ZINC47801; 2,5-Diphenyl-1,4-dithiine #; DTXSID20961826; NSC-56805; CCG-109079; NCI60_004389; EU-0008373; SR-01000464062; SR-01000464062-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56805	.	.	.	.	268.4	C16H12S2	50.6	297	4.6	18	0	2	2	InChI=1S/C16H12S2/c1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h1-12H	C1=CC=C(C=C1)C2=CSC(=CS2)C3=CC=CC=C3	HHRGXOGBUBSFLD-UHFFFAOYSA-N
DG51410	"2,4,6-Trimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine"	245197	"NSC-56902; 1566-30-9; NSC56902; 2,4,6-Trimethyl-3-thioxo-5-oxo-2,3,4,5-tetrahydro-1,2,4-triazine; CHEMBL460364; DTXSID30288612; ZINC1687719; NCI60_004393; 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-2,4,6-trimethyl-3-thioxo-; 2,4,6-Trimethyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	56902	.	.	.	.	171.22	C6H9N3OS	68	248	0	11	0	3	0	InChI=1S/C6H9N3OS/c1-4-5(10)8(2)6(11)9(3)7-4/h1-3H3	CC1=NN(C(=S)N(C1=O)C)C	GVELGZSFVZANIL-UHFFFAOYSA-N
DG51411	"5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline"	245680	"7508-49-8; 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline; NSC57864; NCIOpen2_007515; SCHEMBL2904234; CHEMBL2088173; NIOSH/XU5145000; DTXSID90288850; ZINC4726939; NSC-57864; DS-008947; XU51450000; N-(5-Chloro-2,4-dinitrophenyl)-p-toluidine; p-Toluidine, N-(5-chloro-2,4-dinitrophenyl)-; 5-chloro-N-(4-methylphenyl)-2,4-dinitro-aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57864	.	.	.	.	307.69	C13H10ClN3O4	104	390	4.7	21	1	5	2	"InChI=1S/C13H10ClN3O4/c1-8-2-4-9(5-3-8)15-11-6-10(14)12(16(18)19)7-13(11)17(20)21/h2-7,15H,1H3"	CC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl	DLFBAMLAMJKMDK-UHFFFAOYSA-N
DG51412	n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline	245731	MLS002667931; NSC57958; n-{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline; NCIOpen2_002372; CHEMBL1728230; DTXSID40984895; HMS3079L06; ZINC1688795; NSC-57958; SMR001557688	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57958	.	.	.	.	263.8	C14H14ClNS	37.3	208	5.2	17	1	2	4	"InChI=1S/C14H14ClNS/c1-11-2-6-13(7-3-11)16-10-17-14-8-4-12(15)5-9-14/h2-9,16H,10H2,1H3"	CC1=CC=C(C=C1)NCSC2=CC=C(C=C2)Cl	WVXCLKIMORBOGJ-UHFFFAOYSA-N
DG51413	7-(Piperidin-1-ylmethyl)quinolin-8-ol	245742	"7-(Piperidin-1-ylmethyl)quinolin-8-ol; 6632-09-3; NSC-57969; NSC57969; 7-(1-Piperidinylmethyl)-8-quinolinol; MLS002667936; 7-Piperidin-1-ylmethyl-quinolin-8-ol; 8-Quinolinol,7-(1-piperidinylmethyl)-; Oprea1_656479; Oprea1_793054; CHEMBL593211; SCHEMBL1787096; DTXSID20288883; HMS1783H19; HMS3087C04; DNDI1416985; 8-hydroxy-7-piperidinomethylquinoline; NSC 57969; STL487724; ZINC19791718; AKOS000267122; MCULE-4379495365; 7-(Piperidinomethyl)-8-hydroxyquinoline; SMR001557692; DS-009293; NSC57969, >=98% (HPLC); SR-01000509844; SR-01000509844-1; F0903-8069"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	57969	.	.	.	.	242.32	C15H18N2O	36.4	265	2.5	18	1	3	2	"InChI=1S/C15H18N2O/c18-15-13(11-17-9-2-1-3-10-17)7-6-12-5-4-8-16-14(12)15/h4-8,18H,1-3,9-11H2"	C1CCN(CC1)CC2=C(C3=C(C=CC=N3)C=C2)O	WXMFPLZGDXLEMN-UHFFFAOYSA-N
DG51414	"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione"	245772	"6629-19-2; 2-{[4-(dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione; NSC58011; NCIOpen2_007466; DTXSID40288901; NSC-58011; DS-012705; 2-[(4-dimethylaminophenyl)-hydroxy-methyl]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58011	.	.	.	.	307.3	C19H17NO3	57.6	503	2.9	23	1	4	3	"InChI=1S/C19H17NO3/c1-20(2)13-9-7-12(8-10-13)18(22)16-11-17(21)14-5-3-4-6-15(14)19(16)23/h3-11,18,22H,1-2H3"	CN(C)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O	SOHBBNNFCYTYIL-UHFFFAOYSA-N
DG51415	2-Undecylimidazoline	245858	"2-Undecylimidazoline; 2-Undecyl-4,5-dihydro-1H-imidazole; 10443-61-5; 29249-55-6; 1H-Imidazole, 4,5-dihydro-2-undecyl-; 2-undecyl imidazoline; 2-Imidazoline, 2-undecyl-; 4,5-dihydro-2-undecyl-1H-Imidazole; 2-undecyl-2-imidazoline; NSC58180; SCHEMBL107099; 4,5-Dihydro-2-undecylimidazole; CHEMBL1994722; DTXSID00908971; STR10057; ZINC1688935; MFCD00070626; NSC-58180; STK366004; AKOS005442518; MCULE-7236429521; 2-Undecyl-4,5-dihydro-1H-imidazole #; DA-15994; NCI60_004415; FT-0721620; FT-0759657; H0382; D90854; Q63392863"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58180	.	.	.	.	224.39	C14H28N2	24.4	187	4.4	16	1	1	10	"InChI=1S/C14H28N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h2-13H2,1H3,(H,15,16)"	CCCCCCCCCCCC1=NCCN1	FQHUDZKKDCTQET-UHFFFAOYSA-N
DG51416	Antimycin A3	245869	"Blastomycin; Antimycin A3; Blastmycin; Antimycin A3b; 522-70-3; Purothionin AII; UNII-97YBD5W80B; NSC58239; 97YBD5W80B; CHEMBL436605; A 80021F34; A3; (2R-(2R*,3S*,6S*,7R*,8R*))-8-Butyl-3-(3-formamidosalicylamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate; [(2R,3S,6S,7R,8R)-3-[(3-Formamido-2-hydroxybenzoyl)amino]-8-heptyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] (2R)-2-methylbutanoate; 116095-17-1; A1-Purothionin; SCHEMBL158729; DTXSID7037189; CHEBI:175924; ZINC4212164; BDBM50107132; NSC-58239; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; NCI60_004417; Q27272047; UNII-7JMI3P2Y5R component PVEVXUMVNWSNIG-PDPGNHKXSA-N; UNII-8S75R39Y6J component PVEVXUMVNWSNIG-PDPGNHKXSA-N; WLN: T9OV EOVTJ CMVR CQ DMVH& D1 G4 HOVX1&1&1 I1; Threonine, 2-(1,2-dihydroxypropyl)hexanoate, 7-lactone, isovalerate; (2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; (2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxybenzene)amido]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-hydroxy-benzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate; 3-Methyl-butyric acid (2R,3S,6S,7R,8R)-8-butyl-3-(3-formylamino-2-hydroxy-benzoylamino)-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; 3-Methyl-butyric acid (2R,3S,6S,7R,8R)-8-butyl-3-{[1-(3-formylamino-2-hydroxy-phenyl)-methanoyl]-amino}-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; 3-Methyl-butyric acid 8-butyl-3-(3-formylamino-2-hydroxy-benzoylamino)-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester; Butanoic acid, 3-methyl-, 8-butyl-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-9-oxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-; Isovaleric acid,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58239	.	.	.	.	520.6	C26H36N2O9	157	818	4.2	37	3	9	10	"InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1"	CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C	PVEVXUMVNWSNIG-PDPGNHKXSA-N
DG51417	"11-(4-morpholinyl)-11H-indeno[1,2-b]quinoline"	245879	"NSC58255; MLS002667966; 6626-63-7; 11-(4-morpholinyl)-11H-indeno[1,2-b]quinoline; NSC-58255; CHEMBL1715806; DTXSID60288948; HMS3088J06; NCI60_004418; SMR001557721"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58255	.	.	.	.	302.4	C20H18N2O	25.4	422	3.1	23	0	3	1	"InChI=1S/C20H18N2O/c1-4-8-18-14(5-1)13-17-19(21-18)15-6-2-3-7-16(15)20(17)22-9-11-23-12-10-22/h1-8,13,20H,9-12H2"	C1COCCN1C2C3=CC=CC=C3C4=NC5=CC=CC=C5C=C24	GCVZMKPZSVQVNL-UHFFFAOYSA-N
DG51418	"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-"	245913	"CHEMBL1240762; 5-chloro-2-hydroxy-n-(3-hydroxypropyl)benzamide; NSC58329; Salicylamide, 5-chloro-N-(3-hydroxypropyl)-; DTXSID70984787; ZINC1689026; BDBM50326175; NSC-58329; AKOS008975988; Benzamide, 5-chloro-2-hydroxy-N-(3-hydroxypropyl)-; 5-Chloro-2-hydroxy-N-(3-hydroxypropyl)benzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58329	.	.	.	.	229.66	C10H12ClNO3	69.6	213	2.5	15	3	3	4	"InChI=1S/C10H12ClNO3/c11-7-2-3-9(14)8(6-7)10(15)12-4-1-5-13/h2-3,6,13-14H,1,4-5H2,(H,12,15)"	C1=CC(=C(C=C1Cl)C(=O)NCCCO)O	ZLTAZLVRBUEHDS-UHFFFAOYSA-N
DG51419	"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione"	245920	"6627-15-2; NSC58338; NCIOpen2_007881; SCHEMBL2681378; DTXSID50288972; 2-[[4-(diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione; NSC-58338"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58338	.	.	.	.	335.4	C21H21NO3	57.6	529	3.7	25	1	4	5	"InChI=1S/C21H21NO3/c1-3-22(4-2)15-11-9-14(10-12-15)20(24)18-13-19(23)16-7-5-6-8-17(16)21(18)25/h5-13,20,24H,3-4H2,1-2H3"	CCN(CC)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O	ITMUNRMIPBDJRP-UHFFFAOYSA-N
DG51420	"2,4,5-Trichloro-6-ethylpyrimidine"	246015	"2,4,5-trichloro-6-ethylpyrimidine; 6585-48-4; 2,4,5-trichloro-6-ethyl-pyrimidine; NSC58573; CHEMBL1965178; DTXSID20289017; ZINC1689139; Pyrimidine,4,5-trichloro-6-ethyl-; NSC-58573; AKOS026726656; NCI60_004427; DB-116448"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58573	.	.	.	.	211.5	C6H5Cl3N2	25.8	133	3.6	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3"	CCC1=C(C(=NC(=N1)Cl)Cl)Cl	PAMHFOVFWWAYCK-UHFFFAOYSA-N
DG51421	"2,4,5-Trichloro-6-propylpyrimidine"	246016	"89793-72-6; 2,4,5-trichloro-6-propyl-pyrimidine; 2,4,5-trichloro-6-propylpyrimidine; NSC58574; CHEMBL2006706; DTXSID80289018; ZINC1689140; NSC-58574; Pyrimidine,4,5-trichloro-6-propyl-; NCI60_004428"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58574	.	.	.	.	225.5	C7H7Cl3N2	25.8	145	3.9	12	0	2	2	"InChI=1S/C7H7Cl3N2/c1-2-3-4-5(8)6(9)12-7(10)11-4/h2-3H2,1H3"	CCCC1=C(C(=NC(=N1)Cl)Cl)Cl	CTWZDJNHFGLAMG-UHFFFAOYSA-N
DG51422	"Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-"	246017	"89793-71-5; NSC58575; Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-; CHEMBL1993263; DTXSID40289019; NSC-58575; Pyrimidine,4,5-trichloro-6-isopropyl-; NCI60_004429"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58575	.	.	.	.	225.5	C7H7Cl3N2	25.8	154	3.9	12	0	2	1	"InChI=1S/C7H7Cl3N2/c1-3(2)5-4(8)6(9)12-7(10)11-5/h3H,1-2H3"	CC(C)C1=C(C(=NC(=N1)Cl)Cl)Cl	LIMLIYISTWYZKT-UHFFFAOYSA-N
DG51423	2-Bromoethyl 4-chloro-3-nitrobenzoate	246056	NSC58634; NCIOpen2_007967; ZINC1689192; NSC-58634	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58634	.	.	.	.	308.51	C9H7BrClNO4	72.1	271	2.9	16	0	4	4	"InChI=1S/C9H7BrClNO4/c10-3-4-16-9(13)6-1-2-7(11)8(5-6)12(14)15/h1-2,5H,3-4H2"	C1=CC(=C(C=C1C(=O)OCCBr)[N+](=O)[O-])Cl	DXKZSAMZYQDNAX-UHFFFAOYSA-N
DG51424	[(3-Amino-3-benzoyloxyimino-2-benzylpropanoyl)amino] benzoate	246229	NSC58904	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58904	.	.	.	.	431.4	C24H21N3O5	120	663	4.3	32	2	6	10	"InChI=1S/C24H21N3O5/c25-21(26-31-23(29)18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(28)27-32-24(30)19-14-8-3-9-15-19/h1-15,20H,16H2,(H2,25,26)(H,27,28)"	C1=CC=C(C=C1)CC(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3	ALIGJLBZICSLLG-UHFFFAOYSA-N
DG51425	"9H-Purine, 6-(benzylthio)-9-(2-chloroethyl)-"	246230	"BC 76; 299-13-8; MLS002693200; 6-(Benzylthio)-9-(2-chloroethyl)-9H-purine; 9H-Purine, 6-(benzylthio)-9-(2-chloroethyl)-; NCIOpen2_007735; CHEMBL1715941; DTXSID00289075; HMS3080H18; NSC58905; ZINC1689445; NSC-58905; SMR001559161; 9H-Purine, 9-(2-chloroethyl)-6-[(phenylmethyl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58905	.	.	.	.	304.8	C14H13ClN4S	68.9	301	3.3	20	0	4	5	"InChI=1S/C14H13ClN4S/c15-6-7-19-10-18-12-13(19)16-9-17-14(12)20-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2"	C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCl	HCWAMVQMVMQQNI-UHFFFAOYSA-N
DG51426	"9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-"	246231	"BC 77; MLS002693201; 299-12-7; 9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-; NCIOpen2_007775; CHEMBL1723055; DTXSID60289076; HMS3080H04; NSC58906; ZINC1689446; NSC-58906; SMR001559162; 6-((2-Chlorobenzyl)thio)-9-(2-chloroethyl)-9H-purine; 9H-Purine, 6-[(o-chlorobenzyl)thio]-9-(2-chloroethyl)-; 9H-Purine, 9-(2-chloroethyl)-6-[[(2-chlorophenyl)methyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58906	.	.	.	.	339.2	C14H12Cl2N4S	68.9	336	3.5	21	0	4	5	"InChI=1S/C14H12Cl2N4S/c15-5-6-20-9-19-12-13(20)17-8-18-14(12)21-7-10-3-1-2-4-11(10)16/h1-4,8-9H,5-7H2"	C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl	JIVHOWFJTJBYTK-UHFFFAOYSA-N
DG51427	NSC58924	246248	"2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octabutyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine; 3960-18-7; NSC58924; DTXSID50960201; NSC-58924; ZINC150482905; 1,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6,8,8-octakis(butylamino)-; N,N',N'',N''',N'''',N''''',N'''''',N'''''''-Octabutyl-2H,2H,4H,4H,6H,6H,8H,8H-1,3,5,7,2,4,6,8-tetraazatetraphosphocine-2,2,4,4,6,6,8,8-octaamine; N~2~,N~4~,N~6~,N~8~,N'~2~,N'~4~,N'~6~,N'~8~-Octabutyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,2,4,4,6,6,8,8-octamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	58924	.	.	.	.	757	C32H80N12P4	146	768	8.9	48	8	12	32	"InChI=1S/C32H80N12P4/c1-9-17-25-33-45(34-26-18-10-2)41-46(35-27-19-11-3,36-28-20-12-4)43-48(39-31-23-15-7,40-32-24-16-8)44-47(42-45,37-29-21-13-5)38-30-22-14-6/h33-40H,9-32H2,1-8H3"	CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC	VUXWEFDMCHUGCK-UHFFFAOYSA-N
DG51428	Santalin	246331	"SANTALIN; NSC59267; 5,7-Dihydroxy-6-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione; UNII-T5O6XK6L55; T5O6XK6L55; 7400-10-4; CHEMBL1995638; DTXSID30224792; ZINC1689534; NSC 59267; NSC-59267; NCI60_004443"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59267	.	.	.	.	274.27	C15H14O5	83.8	481	2.7	20	2	5	1	"InChI=1S/C15H14O5/c1-20-15-10(16)6-9-11(14(15)19)13(18)8-5-3-2-4-7(8)12(9)17/h6,16,19H,2-5H2,1H3"	COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O	KZHZAOMCJXXGII-UHFFFAOYSA-N
DG51429	NSC59620	246496	"[(2S,4aS,4bS,6aS,6bS,10aR,11aS,11bR,13aS)-4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl] acetate; NSC59620; MLS000737351; NSC-59620; CHEMBL1980094; ZINC4742491; NCI60_004453; (4a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate; 16.beta.,2'-Cyclohex-4'-eno)-5.alpha.-androstane-3',12-dione, 3.beta.-hydroxy-5'-methyl-, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59620	.	.	.	.	412.6	C26H36O4	60.4	827	4.2	30	0	4	2	"InChI=1S/C26H36O4/c1-14-9-16-11-21-19-6-5-17-12-18(30-15(2)27)7-8-25(17,3)20(19)13-23(29)26(21,4)24(16)22(28)10-14/h10,16-21,24H,5-9,11-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,24+,25-,26+/m0/s1"	CC1=CC(=O)[C@H]2[C@@H](C1)C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C	XQNWOIOMJJWHCN-COSCTRPYSA-N
DG51430	(2-Methoxyphenyl)-naphthalen-2-ylmethanone	246624	NSC59937; CHEMBL1967248; SCHEMBL18288035; ZINC1689895; NSC-59937; AKOS012008355	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59937	.	.	.	.	262.3	C18H14O2	26.3	338	4.2	20	0	2	3	"InChI=1S/C18H14O2/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3"	COC1=CC=CC=C1C(=O)C2=CC3=CC=CC=C3C=C2	DPIATUPMTSNEKU-UHFFFAOYSA-N
DG51431	"4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one"	246657	"6630-73-5; 4-(chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one; NSC59994; SCHEMBL3874217; 4-(alpha-Chloroacetyl)antipyrine; DTXSID20289254; ZINC1689937; NSC-59994; AKOS024332174; 4-(2-CHLOROACETYL)-ANTIPYRINE; MCULE-9539779957; FT-0724611; 4-(2-chloroacetyl)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one; 4-(2-Chloroacetyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	59994	.	.	.	.	264.71	C13H13ClN2O2	40.6	400	1.1	18	0	3	3	"InChI=1S/C13H13ClN2O2/c1-9-12(11(17)8-14)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3"	CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl	QGWUTAPXLRKROO-UHFFFAOYSA-N
DG51432	"4-((1H-naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid"	246676	"NSC60043; MLS002702866; 6630-29-1; NSC-60043; NCIStruc1_001239; NCIStruc2_001499; CHEMBL1453601; DTXSID80984859; NCI60043; ZINC1689962; CCG-36531; NCGC00013715; NCGC00013715-02; NCGC00096826-01; NCI60_004496; SMR001566686; 4-((1H-naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid; 4-{[(1H-Naphtho[2,3-d]imidazol-2-yl)methyl]amino}benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60043	.	.	.	.	317.3	C19H15N3O2	78	450	3.4	24	3	4	4	"InChI=1S/C19H15N3O2/c23-19(24)12-5-7-15(8-6-12)20-11-18-21-16-9-13-3-1-2-4-14(13)10-17(16)22-18/h1-10,20H,11H2,(H,21,22)(H,23,24)"	C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CNC4=CC=C(C=C4)C(=O)O	KMWYWXCIJWCOFD-UHFFFAOYSA-N
DG51433	Diethyl [(2-bromophenyl)methylidene]propanedioate	246693	"93098-67-0; NSC60064; SCHEMBL8432135; CHEMBL1999145; DTXSID80289275; ZINC1689979; NSC-60064; Diethyl 2-(2-bromobenzylidene)malonate; ethyl alpha-ethoxycarbonyl-o-bromo-cinnamate; (2-Bromobenzylidene)malonic acid diethyl ester; Diethyl [(2-bromophenyl)methylidene]propanedioate; diethyl 2-(2-bromophenyl)methylenepropan-1,3-dioate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60064	.	.	.	.	327.17	C14H15BrO4	52.6	331	3.2	19	0	4	7	"InChI=1S/C14H15BrO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=CC=C1Br)C(=O)OCC	ZZDNKHNYMZVZGJ-UHFFFAOYSA-N
DG51434	"p-Toluidine, N-allyl-"	246779	"p-Toluidine, N-allyl-; 15258-46-5; 4-methyl-N-(prop-2-enyl)benzenamine; N-Allyl-4-methylaniline; 4-methyl-N-prop-2-enylaniline; NSC60288; SCHEMBL170694; CHEMBL1989250; DTXSID90934547; ZINC1690123; NSC-60288; AKOS004123548; NCI60_004571; 4-METHYL-N-(PROP-2-EN-1-YL)ANILINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60288	.	.	.	.	147.22	C10H13N	12	112	2.8	11	1	1	3	"InChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h3-7,11H,1,8H2,2H3"	CC1=CC=C(C=C1)NCC=C	XXLHUDMGBJKFMJ-UHFFFAOYSA-N
DG51435	Tylocrebrine	246845	"TYLOCREBRINE; Lylocrebrine; Tylocerebrine; Tylocrebrin; 6879-02-3; (+)-Tylocrebrine; NSC60387; NSC-60387; UNII-3807I5NR9S; 3807I5NR9S; (13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine; (+/-)-Tylocrebrine; Tylocrebine; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-; BRN 1555044; CHEMBL487200; SCHEMBL8977415; DTXSID901018647; ZINC900098; NCI60_004608; Q27256714; WLN: T D5 B6 K666 DNJ MO1 NO1 RO1 SO1; UNII-OOF3X9JZ8Q component YFEPHJVWLFGWKH-CQSZACIVSA-N; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (+)-; Dibenzo[f,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)-; Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60387	.	.	.	.	393.5	C24H27NO4	40.2	573	4.7	29	0	5	4	"InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1"	COC1=C(C2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC	YFEPHJVWLFGWKH-CQSZACIVSA-N
DG51436	1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone	247104	MLS002693321; 6621-65-4; 1-(12h-benzo[a]phenoxazin-12-yl)-2-chloroethanone; NSC60898; NCIOpen2_007717; CHEMBL1723883; DTXSID10289440; HMS3094G23; ZINC1690548; NSC-60898; SMR001559278	.	.	Investigative Drug(s)	Investigative	Small molecular drug	60898	.	.	.	.	309.7	C18H12ClNO2	29.5	429	4.3	22	0	2	1	"InChI=1S/C18H12ClNO2/c19-11-17(21)20-14-7-3-4-8-15(14)22-16-10-9-12-5-1-2-6-13(12)18(16)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4O3)C(=O)CCl	FNYDMTZOMCTUJV-UHFFFAOYSA-N
DG51437	3-(5-amino-1H-indol-3-yl)propanoic acid	247165	3-(5-amino-1H-indol-3-yl)propanoic acid; NSC61297; 5318-12-7; NSC-61297; NCIStruc1_000464; NCIStruc2_000586; 5-Aminoindol-3-ylpropionsaeure; SCHEMBL1519943; CHEMBL1491245; DTXSID90289468; NCI61297; ZINC1690630; CCG-38177; NCGC00013719; NCGC00013719-02; NCGC00096830-01; NCI60_004876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61297	.	.	.	.	204.22	C11H12N2O2	79.1	245	1.1	15	3	3	3	"InChI=1S/C11H12N2O2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4,12H2,(H,14,15)"	C1=CC2=C(C=C1N)C(=CN2)CCC(=O)O	RVKGNYSFSWGPIJ-UHFFFAOYSA-N
DG51438	2-Hydroxyestradiol	247304	"2-Hydroxyestradiol; 2-OH-Estradiol; 362-05-0; 2-hydroxy-estradiol; 2-OH-E2; 2-hydroxy-17beta-estradiol; 2-Hydroxyestradiol-17beta; (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol; UNII-AYU2L67YUU; Estra-1,3,5(10)-triene-2,3,17beta-triol; CHEBI:28744; NSC 61711; AYU2L67YUU; 2-Hydroxy-17; A-estradiol; MLS000069506; CHEMBL467987; ESTRA-1,3,5(10)-TRIENE-2,3,17-beta-TRIOL; SMR000058615; 1,3,5(10)-estratriene-2,3,17Beta-triol; 2,3,17beta-Trihydroxy-1,3,5(10)-Estratriene; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol; (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol; ECS; CCRIS 8709; BRN 2219367; 2bw7; Opera_ID_1837; 17beta-2-Hydroxyestradiol; Epitope ID:159258; 4-06-00-07547 (Beilstein Handbook Reference); BIDD:ER0098; SCHEMBL225052; cid_247304; SGCUT00102; DTXSID3022372; HMS2230J22; HMS3648A04; NSC61711; to_000058; ZINC3815419; 1354AH; BDBM50262140; LMST02010027; MFCD00010490; NSC-61711; 2-Hydroxyestradiol, >=95% (HPLC); 2-Hydroxyestradiol, analytical standard; DB07706; NCGC00247034-01; HY-124489; CS-0086658; Estra-1,3,5(10)-triene-2,3,17-triol; 1,3,5(10)-Estratriene-2,3-17beta-triol; Estra-1,3,5(10)-triene-2,3,17b-triol; 2,3,17b-Trihydroxyestra-1,3,5(10)-triene; C05301; Estra-1,3,5(10)-triene-2,3,17-triol #; Estra-1,5(10)-triene-2,3,17.beta.-triol; Estra-1,3,5(10)-triene-2,3,17.beta.-triol; SR-01000946341; Estra-1,3,5 (10)-triene-2,3,17.beta.-triol; SR-01000946341-1; (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol; Q27096924; Estra-1,3,5(10)-triene-2,3,17-triol, (17beta)-; Estra-1,5(10)-triene-2,3,17-triol, (17.beta.)-; (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol; 2-Hydroxy-17-beta-estradiol 100 microg/mL in Acetonitrile; Estra-1,3,5(10)-triene-2,3,17-triol, (17.beta.)-; estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0); (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61711	.	.	.	.	288.4	C18H24O3	60.7	411	3.7	21	3	3	0	"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O	DILDHNKDVHLEQB-XSSYPUMDSA-N
DG51439	"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol"	247339	NSC61772; CHEMBL1997181; NSC-61772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	61772	.	.	.	.	494.3	C24H32Cl4O2	40.5	412	.	30	2	2	4	"InChI=1S/2C12H16Cl2O/c1-6(2)8-5-9(13)12(15)10(7(3)4)11(8)14;1-6(2)8-5-9(7(3)4)12(15)11(14)10(8)13/h2*5-7,15H,1-4H3"	CC(C)C1=CC(=C(C(=C1O)Cl)Cl)C(C)C.CC(C)C1=CC(=C(C(=C1Cl)C(C)C)O)Cl	YWOKSYZIFZFOBT-UHFFFAOYSA-N
DG51440	"1,2-Bis(4-hydroxyphenoxy)ethane"	247525	"1,2-bis(4-hydroxyphenoxy)ethane; 4-[2-(4-hydroxyphenoxy)ethoxy]phenol; 24209-90-3; NSC62372; NCIOpen2_002563; SCHEMBL226548; 4,4'-(Ethylenebisoxy)bisphenol; DTXSID50289606; ZINC1691104; NSC-62372"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62372	.	.	.	.	246.26	C14H14O4	58.9	194	3.1	18	2	4	5	"InChI=1S/C14H14O4/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8,15-16H,9-10H2"	C1=CC(=CC=C1O)OCCOC2=CC=C(C=C2)O	CLMNUWIUDGZFCN-UHFFFAOYSA-N
DG51441	"((imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	247616	"NSC62586; NSC-62586; NCIStruc1_001063; NCIStruc2_001562; CHEMBL1488304; SCHEMBL13957719; NCI62586; ZINC3954080; CCG-36831; NCGC00013730; NCGC00013730-02; NCGC00096841-01; NCI60_008145; ((imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62586	.	.	.	.	311.32	C11H13N5O4S	145	513	0	21	2	7	4	"InChI=1S/C11H13N5O4S/c1-14-6-8(15(2)11(20)16(3)10(6)19)13-9(14)7(12)21-4-5(17)18/h12H,4H2,1-3H3,(H,17,18)"	CN1C2=C(N=C1C(=N)SCC(=O)O)N(C(=O)N(C2=O)C)C	YGNWCFFTUCWYGM-UHFFFAOYSA-N
DG51442	THOS Streptonigrin	247673	"THOS Streptonigrin; IPAS; Imidazoquinoline; Isopropylideneazastreptonigrin; Streptonigrin tetrahydrooxime; Isopropylidine azastreptonigrin; Azastreptonigrin, isopropylidene-; NSC-62709; 15964-31-5; Streptonigrin, tetrahydro-, pseudooxime; NSC62709; UNII-0M3IRN9CDJ; 0M3IRN9CDJ; STREPTONIGRIN-AZA, ISOPROPYLIDENE; 2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; Isopropylidineazastreptonigrin; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quino; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid; 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid; NSC 62709; Streptonigrin, pseudooxime; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-2-pyridinecarboxylic acid; CHEMBL1992147; DTXSID50936143; ZINC4212044; CCG-36191; Azastreptonigrin, isopropylidene- (7CI); NCI60_008605; Picolinic acid, 5-amino-4-(2,3-dihydro-3,4-dimethoxy-2-hydroxyphenyl)-6-(2,2-dimethyl-4-methoxy-5-oxo-5H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; 2-Pyridinecarboxylic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-; 5-amino-4-(2-hydroxy-3,4-dimethoxy-phenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-imidazo[4,5-h]quinolin-8-yl)-3-methyl-pyridine-2-carboxylic acid; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-H]quinolin-8-yl)-3-methyl-2-pyridinecarboxylic acid #; Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl- (8CI); Picolinic acid,3-dihydro-3,4-dimethoxy-2-hydroxyphenyl)-6-(2,2-dimethyl-4-methoxy-5-oxo-5H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-; Picolinic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-; Picolinic acid,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62709	.	.	.	.	545.5	C28H27N5O7	182	1090	2.1	40	4	12	6	"InChI=1S/C28H27N5O7/c1-11-16(12-8-10-15(38-4)25(39-5)23(12)34)17(29)20(31-18(11)27(36)37)14-9-7-13-19(30-14)21-22(26(40-6)24(13)35)33-28(2,3)32-21/h7-10,34-35H,29H2,1-6H3,(H,36,37)"	CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O	SQQXRXKYTKFFSM-UHFFFAOYSA-N
DG51443	"n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine"	247696	"49753-48-2; NSC62752; n4-(4-iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine; CHEMBL1989042; 2,4,6-Pyrimidinetriamine, N4-(4-iodophenyl)-5-nitroso-; DTXSID10289687; ZINC4707495; NSC-62752; NCI60_008768; Pyrimidine,4-diamino-6-(p-iodoanilino)-5-nitroso-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62752	.	.	.	.	356.12	C10H9IN6O	119	286	2	18	3	7	2	"InChI=1S/C10H9IN6O/c11-5-1-3-6(4-2-5)14-9-7(17-18)8(12)15-10(13)16-9/h1-4H,(H5,12,13,14,15,16)"	C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)I	CRJCMDFURROWOI-UHFFFAOYSA-N
DG51444	"Ergosta-5,7,22-trien-3-ol"	247705	"ergosta-5,7,22-trien-3-ol; NSC62791; Spectrum_000613; SpecPlus_000039; Spectrum2_000201; Spectrum3_000187; Spectrum4_001507; NCIOpen2_008360; KBioGR_002173; KBioSS_001093; DivK1c_006135; SPBio_000181; CHEMBL3185842; KBio1_001079; KBio2_001093; KBio2_003661; KBio2_006229; KBio3_001213; BCP12869; MCULE-3600015331; NCGC00095486-03; NCI60_008975; FT-0670877; D2, Pro-Vitamin;Ergosterol;Pro Vitamin D2;(3beta,9beta,10alpha,22E)-Ergosta-5,7,22-trien-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	62791	.	.	.	.	396.6	C28H44O	20.2	712	7.4	29	1	1	4	"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3"	CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C	DNVPQKQSNYMLRS-UHFFFAOYSA-N
DG51445	"2,4-Dichloro-3-ethyl-5-methylphenol"	247901	"2,4-dichloro-3-ethyl-5-methylphenol; 1127-60-2; Phenol,2,4-dichloro-3-ethyl-5-methyl-; 3-ethyl-2,4-dichloro-5-methyl-phenol; NSC63357; m-Cresol,6-dichloro-5-ethyl-; CHEMBL1999840; DTXSID90920869; ZINC393690; NSC-63357; AKOS024332244; MCULE-9983242334; DA-27321; NCI60_011195; FT-0729068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63357	.	.	.	.	205.08	C9H10Cl2O	20.2	152	4	12	1	1	1	"InChI=1S/C9H10Cl2O/c1-3-6-8(10)5(2)4-7(12)9(6)11/h4,12H,3H2,1-2H3"	CCC1=C(C(=CC(=C1Cl)O)C)Cl	NOEYLPXWMIBMCJ-UHFFFAOYSA-N
DG51446	6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate	247935	"432-33-7; UNII-WGW384PW2A; WGW384PW2A; CHEBI:34519; 9alpha-Fluoro-6alpha-methylprednisolone 21-acetate; 6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate; NSC63549; MLS002693439; 9-Fluoro-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate; NSC 63549; Prednisolone, acetate; CHEMBL1990679; ZINC4744091; NSC-63549; NCI60_011830; Q27116128; Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63549	.	.	.	.	434.5	C24H31FO6	101	910	1.9	31	2	7	4	"InChI=1S/C24H31FO6/c1-13-9-18-16-6-8-23(30,20(29)12-31-14(2)26)22(16,4)11-19(28)24(18,25)21(3)7-5-15(27)10-17(13)21/h5,7,10,13,16,18-19,28,30H,6,8-9,11-12H2,1-4H3/t13-,16-,18-,19-,21-,22-,23-,24-/m0/s1"	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)COC(=O)C)O	KYVZRGYRHWSJFB-OOACPSMNSA-N
DG51447	"1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-"	247946	"NSC63629; NCIOpen2_002756; CHEMBL1995175; ZINC1691639; NSC-63629; AKOS006185352; NCI60_012070; 1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63629	.	.	.	.	259.69	C12H10ClN5	69.6	282	1.6	18	1	4	2	"InChI=1S/C12H10ClN5/c13-9-3-1-8(2-4-9)6-18-12-10(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16)"	C1=CC(=CC=C1CN2C3=NC=NC(=C3C=N2)N)Cl	BHHBIEOLRILLOB-UHFFFAOYSA-N
DG51448	Vengicide	247955	"Vengicide; Antibiotic E 212; Toyocamycin nucleoside; NSC63701; MLS002702992; NSC99843; NSC-63701; B181008; Naritheracin; B 181008; E-212-1; Neuro_000027; CHEMBL102397; SCHEMBL6674952; HMS3872J03; 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile; NSC-99843; CCG-102453; NCI60_012274; NCI60_042246; SMR001566801; FT-0773001; A936319; 4-Amino-7-.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile; 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63701	.	.	.	.	291.26	C12H13N5O4	150	443	-1.6	21	4	8	2	"InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)"	C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N	XOKJUSAYZUAMGJ-UHFFFAOYSA-N
DG51449	"9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-"	248010	"3-Deoxyadenosine; NSC63984; CHEMBL42814; MLS003389401; NSC401022; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol; 9-(.beta.-D-3'-Deoxyribofuranosyl)adenine; .beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-; 9H-Purine, 6-amino-9-(3-deoxy-.beta.-D-ribofuranosyl)-; BRD2581; 9H-Purin-6-amine, 9-(3-deoxy-.beta.-D-erythro-pentofuranosyl)-; BRD-2581; NSC-63984; NSC627047; NSC-401022; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol; 3'-Deoxyadenosine (cordycepin); SCHEMBL20419171; HMS3268J08; HMS3372P05; BCP01713; NSC89220; BDBM50031231; NSC-89220; NSC-627047; SB18953; NCI60_013263; SMR002049054; SY077107; 3 inverted exclamation mark -Deoxyadenosine; DB-050149; BRD-A61362581-001-01-2; BRD-A61362581-001-02-0; 2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol; 3-Deoxyadenosine; 9(3DeoxyDribofuranosyl)adenine;3Deoxyadenosine; 5''-deoxyadenosine2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	63984	.	.	.	.	251.24	C10H13N5O3	119	307	-1.2	18	3	7	2	"InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)"	C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO	OFEZSBMBBKLLBJ-UHFFFAOYSA-N
DG51450	"Methyl 2,5,6-trichloropyrimidine-4-carboxylate"	248061	"methyl 2,5,6-trichloropyrimidine-4-carboxylate; 89284-85-5; methyl 2,5,6-trichloro-4-pyrimidinecarboxylate; MFCD12025876; 6-methoxycarbonyl-2,4,5-trichloropyrimidine; NSC64342; NCIOpen2_002887; SCHEMBL117827; CHEMBL2003186; AMY4138; DTXSID00289797; ZINC1847082; 4747AC; NSC-64342; AKOS005072014; CD-0064; QC-1828; SB21821; NCI60_014682; SY233092; 6-methoxycarbony-2,4,5-trichloropyrimidine; CS-0045736; FT-0680901; P11334; A861247; J-521894; 2,5,6-trichloro-pyrimidine-4-carboxylic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64342	.	.	.	.	241.5	C6H3Cl3N2O2	52.1	204	2.9	13	0	4	2	InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3	COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl	TVFOOGACHSHHSX-UHFFFAOYSA-N
DG51451	diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate	248139	NSC64703; ZINC4707556; NSC-64703	.	.	Investigative Drug(s)	Investigative	Small molecular drug	64703	.	.	.	.	486.4	C22H29Cl2N3O5	101	627	3.5	32	2	6	14	"InChI=1S/C22H29Cl2N3O5/c1-4-31-20(29)22(26-15(3)28,21(30)32-5-2)13-16-14-25-19-7-6-17(12-18(16)19)27(10-8-23)11-9-24/h6-7,12,14,25H,4-5,8-11,13H2,1-3H3,(H,26,28)"	CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C	FKCGBVVBHXXBOD-UHFFFAOYSA-N
DG51452	"(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanamine;benzoic acid"	248381	"NSC65238; MLS000736722; NSC-65238; CHEMBL1482184; HMS2852H07; SMR000528302; abieta-8,11,13-trien-18-amine benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65238	.	.	.	.	407.6	C27H37NO2	63.3	480	.	30	2	3	3	"InChI=1S/C20H31N.C7H6O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;8-7(9)6-4-2-1-3-5-6/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1-5H,(H,8,9)"	CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.C1=CC=C(C=C1)C(=O)O	OSVFSXQGUVYMIT-UHFFFAOYSA-N
DG51453	3-((4-Amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide	248466	NSC65537; MLS000736726; NSC-65537; NCIStruc1_001284; NCIStruc2_001340; CHEMBL1361855; CHEMBL1434821; CHEMBL1971242; SCHEMBL23483666; HMS2865P17; NCI65537; CCG-36986; NCGC00013752; ZINC18038389; ZINC100133503; NCGC00013752-02; NCGC00096863-01; NCI60_019200; SMR000528303; 3-((4-amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65537	.	.	.	.	356.4	C17H16N4O3S	129	577	2.8	25	2	7	4	"InChI=1S/C17H16N4O3S/c1-24-16-10-15(13-7-2-3-8-14(13)17(16)18)21-20-11-5-4-6-12(9-11)25(19,22)23/h2-10H,18H2,1H3,(H2,19,22,23)"	COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=CC=C3)S(=O)(=O)N)N	SWMNSABUWYKPAU-UHFFFAOYSA-N
DG51454	"Fluorene, 9-bromo-2,4,7-trichloro-"	248608	"7012-19-3; Fluorene, 9-bromo-2,4,7-trichloro-; NSC65921; 9-bromo-2,4,7-trichloro-9H-fluorene; 9-BROMO-2,4,7-TRICHLOROFLUORENE; Fluorene,4,7-trichloro-; DTXSID60289970; NSC-65921; AKOS024337367; MCULE-1861309181"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	65921	.	.	.	.	348.4	C13H6BrCl3	0	298	5.8	17	0	0	0	"InChI=1S/C13H6BrCl3/c14-13-9-3-6(15)1-2-8(9)12-10(13)4-7(16)5-11(12)17/h1-5,13H"	C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)Br	QOVQXCVVFBVTQL-UHFFFAOYSA-N
DG51455	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline"	248767	"6969-13-7; NSC66211; n,n-bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline; DTXSID50290035; ZINC1693740; NSC-66211"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66211	.	.	.	.	420.4	C21H19Cl2NS2	53.8	362	8.3	26	0	3	7	"InChI=1S/C21H19Cl2NS2/c1-16-2-8-19(9-3-16)24(14-25-20-10-4-17(22)5-11-20)15-26-21-12-6-18(23)7-13-21/h2-13H,14-15H2,1H3"	CC1=CC=C(C=C1)N(CSC2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)Cl	FVPONDWGZCSNHX-UHFFFAOYSA-N
DG51456	"2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone"	248781	"2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone; 6968-99-6; NSC66230; 2,3-dibromo-3-(3-nitrophenyl)-1-phenylpropan-1-one; DTXSID60290046; NSC-66230; STK258698; AKOS003241144; MCULE-4348757266; 2,3-Dibromo-3-(3-nitrophenyl)-1-phenyl-1-propanone #; Propan-1-one, 2,3-dibromo-3-(3-nitrophenyl)-1-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66230	.	.	.	.	413.06	C15H11Br2NO3	62.9	380	4.5	21	0	3	4	"InChI=1S/C15H11Br2NO3/c16-13(11-7-4-8-12(9-11)18(20)21)14(17)15(19)10-5-2-1-3-6-10/h1-9,13-14H"	C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)Br	LOYYEMPWEAHZAH-UHFFFAOYSA-N
DG51457	"3,6-Dibromopyridazine"	248852	"3,6-dibromopyridazine; 17973-86-3; 3,6-Dibromopyridazide; Pyridazine, 3,6-dibromo-; MFCD00233947; 3,6-dibromo-pyridazine; 3,6-Dibromo pyridazine; NSC66366; 3,6- dibromo-pyridazine; NCIOpen2_003119; SCHEMBL610831; 3,6-Dibromopyridazine, 97%; AMOT0288; SYNQUEST 3H32-9-T3; DTXSID70290072; ZINC967267; BCP19349; GEO-00969; NSC-66366; AKOS005259947; CS-W019835; PB10150; PS-4502; QC-9154; AC-25272; BC003653; SY009350; AM20090061; BB 0259526; D5466; FT-0614752; 973D863; A853847; W-200176"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66366	.	.	.	.	237.88	C4H2Br2N2	25.8	68.4	1.9	8	0	2	0	InChI=1S/C4H2Br2N2/c5-3-1-2-4(6)8-7-3/h1-2H	C1=CC(=NN=C1Br)Br	VQAFMTSSCUETHA-UHFFFAOYSA-N
DG51458	"2-Benzylsulfanyl-3-methylnaphthalene-1,4-dione"	248894	"MLS002693576; 2593-59-1; 2-benzylsulfanyl-3-methylnaphthalene-1,4-dione; NSC66457; 2-(benzylsulfanyl)-3-methylnaphthoquinone; SCHEMBL2599207; CHEMBL1732365; DTXSID50290090; HMS3085P18; ZINC344109; NSC-66457; MCULE-5118695053; NCI60_022262; SMR001559524; 2-Methyl-3-(benzylthio)-1,4-naphthoquinone; AE-406/41056674"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66457	.	.	.	.	294.4	C18H14O2S	59.4	460	4	21	0	3	3	"InChI=1S/C18H14O2S/c1-12-16(19)14-9-5-6-10-15(14)17(20)18(12)21-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3	DVPALWYMAIMQJF-UHFFFAOYSA-N
DG51459	"Methyl 2-chloro-3,5-dinitrobenzoate"	248909	"methyl 2-chloro-3,5-dinitrobenzoate; 2213-79-8; MFCD00085475; NSC66543; benzoic acid, 2-chloro-3,5-dinitro-, methyl ester; Benzoic acid,2-chloro-3,5-dinitro-, methyl ester; SCHEMBL6626231; DTXSID30290098; ALBB-023208; ZINC1693946; NSC-66543; STK365717; AKOS003342266; methyl 2-chloro-3,5-dinitro-benzoate; MCULE-6764871462; LS-07264; DS-000864; CS-0206924; 2-chloro-3,5-dinitrobenzoic acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66543	.	.	.	.	260.589	C8H5ClN2O6	118	338	2.1	17	0	6	2	"InChI=1S/C8H5ClN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3"	COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl	RJQRHZYXGHSNKQ-UHFFFAOYSA-N
DG51460	"4,5,6-Trichloropyrimidine"	249007	"4,5,6-Trichloropyrimidine; 1780-27-4; Pyrimidine, 4,5,6-trichloro-; MFCD08458457; 4,5,6-Trichloro-pyrimidine; NSC66902; 4,5,6 trichloropyrimidine; SCHEMBL83499; CHEMBL1965328; DTXSID20290123; ACT04245; AMY11059; BCP15609; ZINC1694093; BBL101621; NSC 66902; NSC-66902; STL555417; AKOS005259919; AC-2411; CS-W017036; PS-3884; SB57790; NCI60_024048; SY006155; A3953; FT-0648452; T2550; 780T274"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66902	.	.	.	.	183.42	C4HCl3N2	25.8	89.8	2.8	9	0	2	0	InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H	C1=NC(=C(C(=N1)Cl)Cl)Cl	AUWPHGWEYHEAIG-UHFFFAOYSA-N
DG51461	"2,4,6-Trichloro-5-propylpyrimidine"	249012	"2,4,6-trichloro-5-propylpyrimidine; 58-81-1; NSC66914; 2,4,6-Trichloro-5-n-propylpyrimidine; 2,4,6-trichloro-5-propyl-pyrimidine; NCIMech_000228; NCIOpen2_002910; CHEMBL1975293; DTXSID60290127; ZINC1694097; CCG-35477; MFCD22125197; NSC-66914; Pyrimidine,4,6-trichloro-5-propyl-; NCI60_024068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66914	.	.	.	.	225.5	C7H7Cl3N2	25.8	133	4.4	12	0	2	2	"InChI=1S/C7H7Cl3N2/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2-3H2,1H3"	CCCC1=C(N=C(N=C1Cl)Cl)Cl	DXTBIYCCTAVSID-UHFFFAOYSA-N
DG51462	"4,5,6-Trichloro-2-phenylpyrimidine"	249015	"4,5,6-trichloro-2-phenylpyrimidine; 1207-84-7; NSC66917; trichlorophenyl pyrimidine; SCHEMBL376122; CHEMBL1994050; DTXSID90290130; NSC-66917; 4,5,6-Trichloro-2-phenyl-pyrimidine; NCI60_024100; DS-014628"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66917	.	.	.	.	259.5	C10H5Cl3N2	25.8	197	4.4	15	0	2	1	InChI=1S/C10H5Cl3N2/c11-7-8(12)14-10(15-9(7)13)6-4-2-1-3-5-6/h1-5H	C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl	UZVRXBTXEACDQE-UHFFFAOYSA-N
DG51463	Diethyldithiocarbamic acid mesyl ester	249018	"NSC66933; NCIOpen2_002950; CHEMBL1983669; ZINC1694102; NSC-66933; Diethyldithiocarbamic acid mesyl ester; NCI60_024172; Carbamic acid, anhydrosulfide with methanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	66933	.	.	.	.	227.4	C6H13NO2S3	103	238	1.2	12	0	4	4	"InChI=1S/C6H13NO2S3/c1-4-7(5-2)6(10)11-12(3,8)9/h4-5H2,1-3H3"	CCN(CC)C(=S)SS(=O)(=O)C	SFOIKXZFQYFFMG-UHFFFAOYSA-N
DG51464	2-(Diphenylmethylene)hydrazinecarboximidamide	249134	4353-44-0; 2-(Diphenylmethylene)hydrazinecarboximidamide; NSC67118; UNII-43F8Q05RYE; 43F8Q05RYE; NSC 67118; NCIOpen2_002952; (diphenylmethaniminyl)guanidine; SCHEMBL18725142; 1-(benzhydrylideneamino)guanidine; DTXSID10195870; 1-(Diphenylmethyleneamino)guanidine; ZINC1694229; NSC-67118	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67118	.	.	.	.	238.29	C14H14N4	76.8	286	2.4	18	2	2	3	"InChI=1S/C14H14N4/c15-14(16)18-17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H4,15,16,18)"	C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2	DARIECBAYUCTAK-UHFFFAOYSA-N
DG51465	Vincristine sulfate	249332	"Vincristine sulfate; 2068-78-2; Vincrisul; Kyocristine; Vincristine sulphate; Leurocristine sulfate; Oncovin; Onkovin; Marqibo; 22-oxovincaleukoblastine sulfate; VCR sulfate; NSC 67574; Lilly 37231; NSC67574; Leurocristine sulfate (1:1) (salt); NSC-67574; Alkaloid extracted from Vinca rosea Linn; CHEBI:79401; MLS002702994; Leurocristine, sulfate (1:1) (salt); Novopharm; Vincristini sulfas; Oncovin (Lilly); Vincasar (TN); Marqibo (TN); Oncovin (TN); Vincrex (TN); Vincristine, sulfate; Leurocristine, sulfate; rel-Vincristine  Sulfate; Vincristine sulfate liposome; SCHEMBL3710; Leurocristine sulfate (1:1); CHEMBL501867; DTXSID8044331; LILLY-37231; Vincristine sulfate (JP17/USP); HMS3414L13; HMS3678L11; MFCD08706469; AKOS015895862; LCR; VCR; D02197; 068V782; A936684; 1217704-93-2; methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-acetoxy-3a-ethyl-9-((3S,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate sulfate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67574	.	.	.	.	923	C46H58N4O14S	254	1830	.	65	5	16	10	"InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1"	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	AQTQHPDCURKLKT-JKDPCDLQSA-N
DG51466	(2-Methyl-1h-indol-3-yl)methanol	249349	"(2-methyl-1h-indol-3-yl)methanol; 6967-71-1; 1H-Indole-3-methanol, 2-methyl-; NSC67603; NCIOpen2_000024; 2-methyl-3-hydroxymethylindole; SCHEMBL3196770; DTXSID10290238; ZINC1694511; NSC-67603; AKOS009334079; AM806323"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67603	.	.	.	.	161.2	C10H11NO	36	160	1.6	12	2	1	1	"InChI=1S/C10H11NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-5,11-12H,6H2,1H3"	CC1=C(C2=CC=CC=C2N1)CO	ASXDLUBNSFVSAU-UHFFFAOYSA-N
DG51467	diethyl 2-acetamido-2-[(6-nitro-1H-indol-3-yl)methyl]propanedioate	249442	MLS002693615; 7355-90-0; NSC67774; NCIOpen2_008536; DTXSID00290282; HMS3085P16; ZINC1694652; NSC-67774; SMR001559562; Diethyl 2-acetamido-2-((6-nitro-1H-indol-3-yl)methyl)malonate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67774	.	.	.	.	391.4	C18H21N3O7	143	601	2.1	28	2	7	9	"InChI=1S/C18H21N3O7/c1-4-27-16(23)18(20-11(3)22,17(24)28-5-2)9-12-10-19-15-8-13(21(25)26)6-7-14(12)15/h6-8,10,19H,4-5,9H2,1-3H3,(H,20,22)"	CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C	OIFCLUUZPMYLIF-UHFFFAOYSA-N
DG51468	"4,5,6-Trichloro-2-ethylpyrimidine"	249454	"1197-30-4; 4,5,6-trichloro-2-ethylpyrimidine; 4,5,6-trichloro-2-ethyl-pyrimidine; Pyrimidine, 4,5,6-trichloro-2-ethyl-; NSC67798; CHEMBL1997065; DTXSID60290288; NSC-67798; NCI60_027870"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67798	.	.	.	.	211.5	C6H5Cl3N2	25.8	121	3.6	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-10-5(8)4(7)6(9)11-3/h2H2,1H3"	CCC1=NC(=C(C(=N1)Cl)Cl)Cl	CNDMVKVJWXVNBW-UHFFFAOYSA-N
DG51469	"2,4,6-Trichloro-5-ethylpyrimidine"	249455	"2,4,6-trichloro-5-ethylpyrimidine; 1780-38-7; Pyrimidine, 2,4,6-trichloro-5-ethyl-; 2,4,6-Trichloro-5-ethyl-pyrimidine; NSC67799; SCHEMBL501823; CHEMBL1993963; DTXSID20290289; BAA78038; ZINC1694667; Pyrimidine,4,6-trichloro-5-ethyl-; MFCD11112097; NSC 67799; NSC-67799; SB60777; AS-62584; NCI60_027874; CS-0186492; Y3182; D84282; A812337"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	67799	.	.	.	.	211.5	C6H5Cl3N2	25.8	121	3.9	11	0	2	1	"InChI=1S/C6H5Cl3N2/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3"	CCC1=C(N=C(N=C1Cl)Cl)Cl	KMPDRUUXTSYMJD-UHFFFAOYSA-N
DG51470	3-(1-Methylpyrrolidin-2-yl)pyridin-2-yl dimethylcarbamate	249991	6970-04-3; 3-(1-Methyl-2-pyrrolidinyl)-2-pyridinyl dimethylcarbamate; NSC68967; 3-(1-methylpyrrolidin-2-yl)pyridin-2-yl dimethylcarbamate; DTXSID20910091; NSC-68967	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249991	.	.	.	.	249.31	C13H19N3O2	45.7	296	1.3	18	0	4	3	"InChI=1S/C13H19N3O2/c1-15(2)13(17)18-12-10(6-4-8-14-12)11-7-5-9-16(11)3/h4,6,8,11H,5,7,9H2,1-3H3"	CN1CCCC1C2=C(N=CC=C2)OC(=O)N(C)C	CXBVRHNOFNLISC-UHFFFAOYSA-N
DG51471	Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate	250002	13331-67-4; NSC68989; CHEMBL2006696; DTXSID00928073; NSC-68989; NCI60_032326; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(hydroxymethylidene)amino]-3-phenylpropanimidic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	68989	.	.	.	.	508.4	C25H31Cl2N3O4	87.7	605	4.5	34	2	5	15	"InChI=1S/C25H31Cl2N3O4/c1-2-34-25(33)23(17-20-8-10-21(11-9-20)30(14-12-26)15-13-27)29-24(32)22(28-18-31)16-19-6-4-3-5-7-19/h3-11,18,22-23H,2,12-17H2,1H3,(H,28,31)(H,29,32)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O	IGMJUMLGHIBRFY-UHFFFAOYSA-N
DG51472	NSC69294	250204	"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate; NSC69294; NSC-69294"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69294	.	.	.	.	585.7	C36H43NO6	90	1290	5	43	0	6	6	"InChI=1S/C36H43NO6/c1-20(38)42-24-12-14-35(3)23(16-24)10-11-25-28(35)13-15-36(4)29(25)17-26-31-27(18-30(32(26)36)43-21(2)39)33(40)37(34(31)41)19-22-8-6-5-7-9-22/h5-10,24-29,31H,11-19H2,1-4H3"	CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4=C(CC6C5C(=O)N(C6=O)CC7=CC=CC=C7)OC(=O)C)C)C	LSSPIOYZZCPTLA-UHFFFAOYSA-N
DG51473	"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane"	250319	"NSC69573; NSC-69573; 3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5.2]hexadecane; NCIStruc1_001320; NCIStruc2_001582; CHEMBL1480554; NCI69573; ZINC1695760; CCG-37276; NCGC00013780; 3,12-dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane; NCGC00013780-02; NCGC00096890-01; NCI60_034242"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69573	.	.	.	.	474.8	C24H30N2S4	108	471	5.4	30	0	6	4	"InChI=1S/C24H30N2S4/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)27-29-24(30-28-23)13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-10H,11-20H2"	C1CN(CCC12SSC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5	AUQNOKYVIFHLOF-UHFFFAOYSA-N
DG51474	5-((5-((5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone	250321	NSC69575; NSC-69575; 6959-95-1; NCIStruc1_001486; NCIStruc2_001446; CHEMBL1415616; CHEMBL1999677; SCHEMBL14286191; NCI69575; CCG-36540; NCGC00013781; ZINC17747876; ZINC17747879; ZINC100133298; NCGC00013781-02; NCGC00096891-01; NCI60_034243; 5-((5-((5-oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69575	.	.	.	.	318.3	C18H10N2O4	77.3	619	2.8	24	0	6	2	InChI=1S/C18H10N2O4/c21-17-9-7-15(23-17)19-13-5-1-3-11-12(13)4-2-6-14(11)20-16-8-10-18(22)24-16/h1-10H	C1=CC2=C(C=CC=C2N=C3C=CC(=O)O3)C(=C1)N=C4C=CC(=O)O4	OOXMVNZKTMFECF-UHFFFAOYSA-N
DG51475	Ethyl n-acetylleucyl-4-[bis(2-chloroethyl)amino]phenylalaninate	250390	"13331-87-8; 4213-38-1; NSC69830; Alanine, ethylester L-; ethyl n-acetylleucyl-4-[bis(2-chloroethyl)amino]phenylalaninate; DTXSID20962297; DTXSID70290592; NSC-69830; NSC240743; NSC-240743; N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-4-methylpentanimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	69830	.	.	.	.	488.4	C23H35Cl2N3O4	87.7	578	3.3	32	2	5	15	"InChI=1S/C23H35Cl2N3O4/c1-5-32-23(31)21(27-22(30)20(14-16(2)3)26-17(4)29)15-18-6-8-19(9-7-18)28(12-10-24)13-11-25/h6-9,16,20-21H,5,10-15H2,1-4H3,(H,26,29)(H,27,30)"	CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C	SWXCQOFAVJKBPJ-UHFFFAOYSA-N
DG51476	CID 250397	250397	"Chebulagic acid; 23094-71-5; NSC342674; Chebu-lagic acid; .beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate); SCHEMBL1877153; CHEMBL1970427; BDBM512895; HY-N1996; NSC69863; NSC-69863; CS-5820; NSC-342674; NCI60_003043; FT-0698058; .beta.-D-Glucopyranose,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl)butanedioic acid, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'dicarboxylate) 1-(3,4,5-trihydroxybenzoate); 2-[13,14,15,18,19,20,31,35,36-Nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342674	.	.	.	.	954.7	C41H30O27	447	1970	0.4	68	13	27	5	"InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)"	C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O	HGJXAVROWQLCTP-UHFFFAOYSA-N
DG51477	"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid"	250607	NSC70194; 7143-91-1; NSC-70194; CHEMBL1989933; DTXSID50290656; NCI60_036529	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70194	.	.	.	.	361.6	C23H39NO2	63.3	603	3.5	26	2	3	3	"InChI=1S/C23H39NO2/c1-15(2)22-10-11-23(16(12-22)14-24)9-6-17-20(3,18(23)13-22)7-5-8-21(17,4)19(25)26/h15-18H,5-14,24H2,1-4H3,(H,25,26)"	CC(C)C12CCC3(CCC4C(C3C1)(CCCC4(C)C(=O)O)C)C(C2)CN	CFSIKOAGZWBLPX-UHFFFAOYSA-N
DG51478	"6-Amino-1,3-dibenzyl-2-iminopyrimidin-4-one"	250781	NSC70555; NSC-70555	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70555	.	.	.	.	306.4	C18H18N4O	73.4	475	2	23	2	3	4	"InChI=1S/C18H18N4O/c19-16-11-17(23)22(13-15-9-5-2-6-10-15)18(20)21(16)12-14-7-3-1-4-8-14/h1-11,20H,12-13,19H2"	C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N	XXTTYBFAMDJSTQ-UHFFFAOYSA-N
DG51479	Antibiotic from Streptomyces nogalater	250876	"nogalamycin; NSC70845; 1404-15-5; methyl (1S,10S,12S,13R,21S,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-(3,4,5-trimethoxy-4,6-dimethyloxan-2-yl)oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; Methyl 23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate; Antibiotic 205t3; U 15167; NSC 70845; Antibiotic from Streptomyces nogalater; SCHEMBL1649692; CHEMBL1991217; DTXSID20930779; NCI60_038415; 2,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.,11.beta.,13.alpha.,14.alpha.)-(+)-; 2,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9.11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-; 2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2S,3S,4R,5R,...; Methyl 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]o; methyl dimethylamino-pentahydroxy-dimethyl-dioxo-(3,4,5-trimethoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[ ]carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	70845	.	.	.	.	787.8	C39H49NO16	229	1530	1.1	56	5	17	8	"InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14 ,19-,24-,25-,29-,31+,32 ,33 ,35-,36 ,37-,38-,39 /m0/s1"	CC1C(C(C(C(O1)O[C@H]2C[C@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)O[C@@H]7[C@H]([C@@H]([C@H]([C@]6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(C)OC)OC	KGTDRFCXGRULNK-QNQBSKBHSA-N
DG51480	Methyl 3-(4-nitrophenyl)prop-2-ynoate	251019	"7515-15-3; methyl 3-(4-nitrophenyl)prop-2-ynoate; Methyl 3-(4-Nitrophenyl)propiolate; MFCD00818235; NSC71090; NCIOpen2_004763; Oprea1_660689; SCHEMBL1645625; ZINC9192; CHEMBL1967778; DTXSID70290799; HMS3870D03; AC8447; NSC-71090; AKOS003613098; methyl 3-(4-nitrophenyl)-2-propynoate; NCGC00487312-01; AS-83273; NCI60_039007; SY264821; (4-Nitrophenyl)propiolic acid methyl ester; (4-nitrophenyl)-propynoic acid methyl ester; CS-0346668; FT-0701360; 2-Propynoic acid, 3-(4-nitrophenyl)-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71090	.	.	.	.	205.17	C10H7NO4	72.1	311	2.2	15	0	4	2	"InChI=1S/C10H7NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,1H3"	COC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]	XNRRUKAHRUCWGC-UHFFFAOYSA-N
DG51481	"2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one"	251112	"70460-30-9; NSC71300; UNII-7ZC34TF8SX; 2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; 7ZC34TF8SX; CHEBI:79467; 4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-; NSC-71300; 2',5',5,6,7,8-hexamethoxyflavone; NSC 71300; 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4h-chromen-4-one; NCIMech_000180; CHEMBL311610; DTXSID50220731; ZINC1696755; CCG-35371; NCI60_039415; Q27148539; 2-(2,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71300	.	.	.	.	402.4	C21H22O8	81.7	593	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-11-7-8-14(24-2)12(9-11)15-10-13(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3"	COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	FJNLODZIVSPGBA-UHFFFAOYSA-N
DG51482	"2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one"	251114	"2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; 70460-29-6; UNII-YB1PP1M8P8; YB1PP1M8P8; CHEBI:79468; NSC71302; NSC-71302; 2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC 71302; CHEMBL76562; DTXSID90220730; ZINC1696757; 5,6,7,8,3',5'-hexamethoxyflavone; 3',5,5',6,7,8-Hexamethoxyflavone; NCI60_039419; Q27148540; 2-(3,5-dimethoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71302	.	.	.	.	402.4	C21H22O8	81.7	581	3	29	0	8	7	"InChI=1S/C21H22O8/c1-23-12-7-11(8-13(9-12)24-2)15-10-14(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3"	COC1=CC(=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC	ADBLJUDPXDJMMK-UHFFFAOYSA-N
DG51483	"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol"	251176	"NSC71426; NSC-71426; CHEMBL1976283; NCI60_039634; 2-((1,3-benzodioxol-5-ylmethylene)amino)-2-deoxyhexopyranose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71426	.	.	.	.	311.29	C14H17NO7	121	407	-0.9	22	4	8	3	"InChI=1S/C14H17NO7/c16-5-10-12(17)13(18)11(14(19)22-10)15-4-7-1-2-8-9(3-7)21-6-20-8/h1-4,10-14,16-19H,5-6H2"	C1OC2=C(O1)C=C(C=C2)C=NC3C(C(C(OC3O)CO)O)O	UIYDBYNUALKLFL-UHFFFAOYSA-N
DG51484	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-"	251355	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-; MLS002693735; 3640-00-4; NSC71677; CHEMBL1865545; DTXSID80290902; HMS3086G13; ZINC1697164; NSC-71677; SMR001559678"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71677	.	.	.	.	325.8	C18H12ClNOS	45.6	431	4.9	22	0	2	1	"InChI=1S/C18H12ClNOS/c19-11-17(21)20-14-7-3-4-8-16(14)22-18-13-6-2-1-5-12(13)9-10-15(18)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C4N3C(=O)CCl	FMZRZAWQHRDTEP-UHFFFAOYSA-N
DG51485	"[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate"	251458	2383-36-0; NSC71850; CHEMBL2004082; DTXSID20946638; NSC-71850; NCI60_040799; 1-(3-O-Benzoyl-5-S-benzoyl-2-deoxy-5-thiopentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	71850	.	.	.	.	470.5	C23H19FN2O6S	127	809	3.3	33	1	8	8	"InChI=1S/C23H19FN2O6S/c24-16-12-26(23(30)25-20(16)27)19-11-17(32-21(28)14-7-3-1-4-8-14)18(31-19)13-33-22(29)15-9-5-2-6-10-15/h1-10,12,17-19H,11,13H2,(H,25,27,30)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4	AFUDIJVTABHLBY-UHFFFAOYSA-N
DG51486	Raubasine	251561	"Mayumbine; Hydrosarpan; Ranitol; Raubaserp; Raubasil; Raubasin; Raumalina; Vincain; Vincein; Vinceine; Tensyl; Alkaloid F; Alkaloid II; .delta.-Yohimbine; methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate; Circolene; Lamuran; Rauvasan; Sarpan; MLS000111555; Alkaloid C; Substance II; Tetrahydroserpentine; NSC72115; NSC72133; 6474-90-4; SMR000107477; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-; (+)-19-Epiajmalicine; (+)-19-epi-Ajmalicine; 19-epi-Ajmalicine; methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate; WLN: T F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1; Isoarteril; NSC 72133; Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-; (-)-Ajmalicin; (-)-Tetrahydroalstonine; MLS002540766; SCHEMBL309915; Alstonine,4,5,6-tetrahydro-; cid_251561; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid methyl ester; CHEMBL1604074; BDBM30993; HMS1607K01; HMS2271A14; NSC95087; MFCD00368576; NSC-72115; NSC-72133; NSC-95087; STK367072; AKOS000730693; AKOS021983176; ACN-056788; CCG-103005; MCULE-3271406637; NCI60_041492; NCI60_041515; DB-051540; FT-0621941; FT-0775777; Alstonine,4,5,6-tetrahydro-, (3.alpha.)-; VU0002262-1; L001109; SR-01000625463; SR-01000625463-4; Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate; Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate #; 16,17-Didehydro-19.alpha.-methyloxayohimban-16-carboxylic acid methyl ester; 876659-81-3; Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72115	.	.	.	.	352.4	C21H24N2O3	54.6	606	2.7	26	1	4	2	"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3"	CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45	GRTOGORTSDXSFK-UHFFFAOYSA-N
DG51487	2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate	251586	"14415-46-4; NSC72151; 2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate; NSC 72151; Coumarin, dimethyl sulfonate; CHEMBL1999633; ZINC1698336; NSC-72151; ZINC100491020; 2H-1-Benzopyran-2-one, 6-[[4-[bis[2-[(methylsulfonyl)ethyl]amino]phenyl]methylene]amino]-; Coumarin, {6-[[p-[bis(hydroxyethyl)amino]benzylidene]amino]-,} dimethyl sulfonate; Coumarin, 6-((p-(bis(hydroxyethyl)amino)benzylidene)amino)-, dimethyl sulfonate; NCI60_041538; 2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-(2-oxochromen-6-yl)iminomethyl]anilino]ethyl methanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72151	.	.	.	.	508.6	C22H24N2O8S2	145	906	2.2	34	0	10	11	"InChI=1S/C22H24N2O8S2/c1-33(26,27)30-13-11-24(12-14-31-34(2,28)29)20-7-3-17(4-8-20)16-23-19-6-9-21-18(15-19)5-10-22(25)32-21/h3-10,15-16H,11-14H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)OC(=O)C=C3	IQUYRTCVGLAKOT-UHFFFAOYSA-N
DG51488	"1-(3,4-Dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid"	251620	"NSC72234; NSC-72234; CHEMBL1965410; NCI60_041575; 1-(3,4-dihydroxy-5-methoxyphenyl)-2,4,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72234	.	.	.	.	422.4	C20H22O10	177	616	0.3	30	7	10	5	"InChI=1S/C20H22O10/c1-29-14-6-10-9(5-12(14)22)16(8-3-13(23)18(25)15(4-8)30-2)20(28,19(26)27)11(7-21)17(10)24/h3-6,11,16-17,21-25,28H,7H2,1-2H3,(H,26,27)"	COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3C(C(C2(C(=O)O)O)CO)O)OC)O	AEAWUUSSBHHSNE-UHFFFAOYSA-N
DG51489	"2-hydroxy-2-[(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]indene-1,3-dione"	251630	"NSC72254; SCHEMBL18134600; NCI60_041576; 2-hydroxy-2-((3-oxoestr-4-en-17-yl)oxy)-1H-indene-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72254	.	.	.	.	434.5	C27H30O5	80.7	865	3.7	32	1	5	2	"InChI=1S/C27H30O5/c1-26-13-12-18-17-9-7-16(28)14-15(17)6-8-19(18)22(26)10-11-23(26)32-27(31)24(29)20-4-2-3-5-21(20)25(27)30/h2-5,14,17-19,22-23,31H,6-13H2,1H3"	CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36	PSDYWXVFQWCFEU-UHFFFAOYSA-N
DG51490	Mitopodozide	251643	"MITOPODOZIDE; Proresid; Proreside; Proresipar; 1508-45-8; NSC-72274; SPI-77; SP-I (Pharmaceutical); UNII-6QYI7Y8OBO; Podophyllinsaeure-aethylhydrazid; SPI 77; IND 379; SP-I 77; Podophyllinic acid 2-ethylhydrazide; SP-I; Podophyllic acid, 2-ethyl-hydrazide; 6QYI7Y8OBO; Podophyllic acid 2-ethylhydrazide; Podophyllic acid ethylhydrazide; (5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide; 1904-80-9; SP 1; Mitopodozido; Mitopodozidum; Naphtho(2,3-d)-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide, (5R-(5alpha,6alpha,7beta,8alpha))- (9CI); Podophyllic acid, 2-ethylhydrazide; Mitopodozide [INN:BAN]; N'-Ethylpodophyllohydrazid; Mitopodozidum [INN-Latin]; Mitopodozido [INN-Spanish]; Mitopodozid; Podophyllinic acid ethylhydrazide; SP I Sandoz; SP-I Sandoz; (5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-[3,4,5-tris(methyloxy)phenyl]-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carbohydrazide; EINECS 216-138-1; NSC 72274; SP-I, pharmaceutical; Podophyllinsaeure-aethylhydrazid  [German]; AI3-51435; SP I; SCHEMBL745158; CHEMBL460289; Podophyllic acid, ethylhydrazide; DTXSID9021211; CHEBI:135764; NSC72274; Podophyllinic acid, 2-ethylhydrazide; SP1 77; Q27265355; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide, [5R-(5.alpha.,6.alpha.,7.beta.,8.alpha.)]-; Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, 2-ethylhydrazide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72274	.	.	.	.	474.5	C24H30N2O8	128	669	1.8	34	4	9	8	"InChI=1S/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)/t15-,20+,21-,22-/m0/s1"	CCNNC(=O)[C@H]1[C@@H]([C@H](C2=CC3=C(C=C2[C@H]1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO	CPTIBDHUFVHUJK-NZYDNVMFSA-N
DG51491	"2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide"	251786	"NSC72564; UNII-4IGO887R37; GNF-Pf-3712; 21696-26-4; 4IGO887R37; 2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide; CHEMBL597458; SCHEMBL15788277; BDBM97438; DTXSID90176081; NSC 72564; NSC-72564; NCI60_041582; Isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl-; 1, 2-amino-N,N'-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-; 1,3-Benzenecarboxamide, 2-amino-N,N'-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-; 2-Amino-N~1~,N~3~-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide; 2-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72564	.	.	.	.	467.5	C26H25N7O2	133	762	1.4	35	5	5	6	"InChI=1S/C26H25N7O2/c27-22-20(25(34)32-18-8-4-16(5-9-18)23-28-12-13-29-23)2-1-3-21(22)26(35)33-19-10-6-17(7-11-19)24-30-14-15-31-24/h1-11H,12-15,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)"	C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)N	OBAUDPAEJYJNTG-UHFFFAOYSA-N
DG51492	beta-COLUBRINE	251890	"beta-COLUBRINE; COLUBRINE, BETA; Strychnine, 2-methoxy-; 2-Methoxy strychnine; 2-Methoxystrychnidin-10-one; UNII-PEK2HDB6QQ; 509-36-4; 2-Methoxystrychnine; PEK2HDB6QQ; NSC72862; (4aR,5aS,8aR,13aS,15aS,15bR)-10-methoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one; 2-Methoxy-strychnine; MLS002693787; ss-Colubrin; .beta.-Colubrine; NSC 72862; CHEMBL1994566; CHEBI:132697; Strychnidin-10-one, 2-methoxy-; NSC-72862; NCI60_041585; Strychnidin-10-one, 2-methoxy- (9CI); Q27286513"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72862	.	.	.	.	364.4	C22H24N2O3	42	737	1.9	27	0	4	1	"InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1"	COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6	ZTHVHELPCLGXHF-JPPAUQSISA-N
DG51493	Noformicin	251919	"Noformicin; DL-Noformicin; (+/-)-Noformicin; NSC72942; 5-Amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide; NSC-72942; DL-Noformicin sulfate; 16426-41-8; 155-38-4; (+/-)-Noformycin; Noformicin, (+/-)-; SCHEMBL3131363; CHEMBL2008751; DTXSID50935111; 2H-Pyrrole-2-carboxamide, 5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-; NCI60_041590; Q27289571; N-(3-Amino-3-iminopropyl)-5-iminopyrrolidine-2-carboximidic acid; 5-amino-N-(3-amino-3-imino-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide; 5-Amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72942	.	.	.	.	197.24	C8H15N5O	117	273	-2.4	14	4	3	4	"InChI=1S/C8H15N5O/c9-6(10)3-4-12-8(14)5-1-2-7(11)13-5/h5H,1-4H2,(H3,9,10)(H2,11,13)(H,12,14)"	C1CC(=NC1C(=O)NCCC(=N)N)N	QGFXBZOMUMWGII-UHFFFAOYSA-N
DG51494	"3-Pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine"	251928	"NSC72961; 35827-88-4; 8-Azadenosine; 34698-65-2; 35827-89-5; 3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine; NCIOpen2_003672; CHEMBL37172; SCHEMBL6673170; DTXSID50908143; NSC81153; NSC-72961; NSC-81153; NSC145918; NSC146365; NSC146366; ZINC01532206; AB69414; NSC-145918; NSC-146365; NSC-146366; NCI60_041591; 3H-v-Triazolo[4, 7-amino-3-.beta.-D-ribofuranosyl-; WLN: T56 BNNN FN HNJ IZ D- BT5OTJ CQ DQ E1Q; 3H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-.alpha.-D-arabinofuranosyl-; 3H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-.beta.-D-ribofuranosyl-; (2R,3R,4S,5S)-2-(7-AMINO-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-3-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL; 1260611-48-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	72961	.	.	.	.	268.23	C9H12N6O4	152	336	-2.2	19	4	9	2	"InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)15(14-13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12)"	C1=NC(=C2C(=N1)N(N=N2)C3C(C(C(O3)CO)O)O)N	OAUKGFJQZRGECT-UHFFFAOYSA-N
DG51495	4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde	251946	65611-34-9; 4-[bis(2-chloroethyl)amino]-2-chlorobenzaldehyde; NSC73019; NCIOpen2_003752; SCHEMBL9730719; DTXSID80291075; ZINC1698829; NSC-73019	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73019	.	.	.	.	280.6	C11H12Cl3NO	20.3	209	3.3	16	0	2	6	"InChI=1S/C11H12Cl3NO/c12-3-5-15(6-4-13)10-2-1-9(8-16)11(14)7-10/h1-2,7-8H,3-6H2"	C1=CC(=C(C=C1N(CCCl)CCCl)Cl)C=O	HKSLIEMSMQTDPW-UHFFFAOYSA-N
DG51496	"1,4,5,6,7,7-hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	252008	"NSC73101; NSC-73101; CHEMBL1996385; SCHEMBL14286198; NCI60_041595; 1,4,5,6,7,7-hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73101	.	.	.	.	552.1	C22H13Cl6NO3	66.4	895	5	32	2	3	3	"InChI=1S/C22H13Cl6NO3/c23-16-17(24)21(26)15(19(31)32)14(20(16,25)22(21,27)28)18(30)29-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14-15H,7H2,(H,29,30)(H,31,32)"	C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4C(C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O	ACQIOJGCZAKEOE-UHFFFAOYSA-N
DG51497	NSC73300	252101	"2,3-Dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; NSC73300; NSC-73300; Thujaplicin mixture; CHEMBL1324842; NCI73300; CCG-36245; NCGC00013806; NCGC00013806-02; NCGC00096916-01; NCI60_041601; 2,3-dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73300	.	.	.	.	672.8	C40H48O9	169	1160	.	49	5	9	4	"InChI=1S/C10H12O3.3C10H12O2/c1-6(2)7-3-4-8(11)10(13)9(12)5-7;1-7(2)8-3-5-9(11)10(12)6-4-8;1-7(2)8-4-3-5-9(11)10(12)6-8;1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1-2H3,(H2,11,12,13);3*3-7H,1-2H3,(H,11,12)"	CC(C)C1=CC=C(C(=O)C=C1)O.CC(C)C1=CC(=O)C(=CC=C1)O.CC(C)C1=CC(=O)C(=C(C=C1)O)O.CC(C)C1=C(C(=O)C=CC=C1)O	SCKSOYQGQHMOHA-UHFFFAOYSA-N
DG51498	"N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine"	252116	"55474-82-3; UNII-ZOR8GEY3CT; ZOR8GEY3CT; NSC73346; MLS002693869; N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine; Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-; 1-(4,6-dimethylpyrimidin-2-yl)-3-phenethyl-guanidine; NSC 73346; NCIOpen2_003969; CHEMBL363221; SCHEMBL2801059; DTXSID40204040; HMS3085F09; NSC-73346; ZINC31649203; SMR001559810; Guanidine,6-dimethyl-2-pyrimidinyl)-3-phenethyl-; 1-(4,6-Dimethylpyrimidine-2-yl)-3-phenethylguanidine; N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-phenethyl-methanetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	73346	.	.	.	.	269.34	C15H19N5	76.2	301	2	20	2	3	5	"InChI=1S/C15H19N5/c1-11-10-12(2)19-15(18-11)20-14(16)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H3,16,17,18,19,20)"	CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C	FVBRWQIUJUHLKQ-UHFFFAOYSA-N
DG51499	"N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine"	252368	"NSC74199; 91192-70-0; N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine; Pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5-nitroso-; NSC 74199; NCIOpen2_008981; CHEMBL1977717; DTXSID00238442; ZINC4775237; NSC-74199; NCI60_041623; 2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N2-methyl-5-nitroso-; 2,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N2-methyl-5-nitroso-; N6-(4-bromophenyl)-N2-methyl-5-nitroso-pyrimidine-2,4,6-triamine; N~4~-(4-Bromophenyl)-N~2~-methyl-5-nitroso-2,4,6-pyrimidinetriamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74199	.	.	.	.	323.15	C11H11BrN6O	105	299	2.7	19	3	7	3	"InChI=1S/C11H11BrN6O/c1-14-11-16-9(13)8(18-19)10(17-11)15-7-4-2-6(12)3-5-7/h2-5H,1H3,(H4,13,14,15,16,17)"	CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Br)N=O)N	UMSTYZICPACHCX-UHFFFAOYSA-N
DG51500	"Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester"	252586	"16601-40-4; S-Benzyl phenylmethanesulfonothioate; NSC74663; Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester; S-Benzyl phenylmethanethiosulfonate; benzylsulfonylsulfanylmethylbenzene; NSC 74663; CHEMBL2000292; DTXSID4075112; NSC-74663; S-Benzyl phenylmethanesulfonothioate #; NCI60_041635; Phenylmethanethiosulfonic acid S-benzyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74663	.	.	.	.	278.4	C14H14O2S2	67.8	320	3	18	0	3	5	"InChI=1S/C14H14O2S2/c15-18(16,12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-10H,11-12H2"	C1=CC=C(C=C1)CSS(=O)(=O)CC2=CC=CC=C2	LAVBKIWRWNKSGD-UHFFFAOYSA-N
DG51501	2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid	252682	"501919-59-1; Nsc 74859; S3I-201; 2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid; S31-201; NSC-74859; NSC74859; UNII-JG1E8503OI; MLS002701911; S3I201; S3I 201; JG1E8503OI; 2-Hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]benzoic acid; Benzoic acid, 2-hydroxy-4-((2-(((4-methylphenyl)sulfonyl)oxy)acetyl)amino)-; SMR001565495; Benzoic acid, 2-hydroxy-4-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-; Salicylic acid, 4-p-toluenesulfonate; STAT3-inhibitor-VI; NSC 74859 (S3I-201); NCIOpen2_008987; MLS006011065; CHEMBL477936; cid_252682; SCHEMBL4456216; BDBM20283; CHEBI:91224; AOB4162; DTXSID00198234; EX-A342; GLG-302; BCPP000083; HMS3654C12; BCP01761; ZINC1621282; 2-hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid; s1155; AKOS016366328; AM81245; CCG-268227; CS-0512; QC-8386; SB17268; NCGC00262641-02; NSC 74859,S3I-201; AC-32045; AS-55944; HY-15146; FT-0704713; S3I-201 (NSC-74859); S3I-201 - NSC 74859; SW219398-1; X7562; S3I-201, >=97% (HPLC); A25494; J-509627; Q27163139; 2-hydroxy-4-((((4-methylphenyl)sulfonyloxy)acetyl)amino)-benzoic acid; 2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}acetamido)benzoic acid; 2-Hydroxy-4-[[[[(4-methylphenyl)sulfonyl]oxy]acetyl]amino]-benzoic acid; 2-hydroxy-4-{2-[(4-methylbenzene-1-sulfonyl)oxy]acetamido}benzoic acid; S3I-201; ; ; 2-Hydroxy-4-[[2-(4-methylphenyl)sulfonyloxyacetyl]amino]benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	74859	.	.	.	.	365.4	C16H15NO7S	138	578	3	25	3	7	6	"InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)"	CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)O	HWNUSGNZBAISFM-UHFFFAOYSA-N
DG51502	"meso-2,3-Diphenylsuccinic acid"	253131	"meso-2,3-Diphenylsuccinic acid; 1225-13-4; (2S,3R)-2,3-diphenylbutanedioic acid; trans-2,3-Diphenylsuccinic acid; NSC75627; Butanedioic acid, 2,3-diphenyl-, (2R,3S)-rel-; (2r,3s)-2,3-diphenylsuccinic acid; NSC-75627; CHEMBL1991958; SCHEMBL11315838; meso-2,3-Diphenylbutanedioic Acid; Succinic acid,3-diphenyl-, meso-; ZINC185393; BAA22513; MFCD00198082; NCI60_041658; Butanedioic acid,3-diphenyl-, (R*,S*)-; D2209; T70157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	75627	.	.	.	.	270.28	C16H14O4	74.6	306	2.6	20	2	4	5	"InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14+"	C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)C(=O)O)C(=O)O	PVXCQHHWNDJIJP-OKILXGFUSA-N
DG51503	Benzylpenillic acid	253302	"Benzylpenillic acid; 13093-87-3; NSC76064; 5-benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; MLS002693971; 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; NSC-76064; CHEMBL1733416; DTXSID80291510; HMS3094O13; Benzylpenicillin EP(CP) Impurity D; NCI60_041676; SMR001559906; 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid; 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylicacid; Imidazo[5,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-; Imidazo[5,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76064	.	.	.	.	334.4	C16H18N2O4S	116	542	1.6	23	2	6	4	"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)"	CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C	PSPRNQOVLYLHSA-UHFFFAOYSA-N
DG51504	"Uridine, 2'-deoxy-5-fluoro-5'-thio-"	253426	"2010-21-1; NSC76351; NCIOpen2_004155; CHEMBL1989101; DTXSID70942125; NSC-76351; Uridine, 2'-deoxy-5-fluoro-5'-thio-; NCI60_041684; 1-(2-Deoxy-5-thiopentofuranosyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76351	.	.	.	.	262.26	C9H11FN2O4S	79.9	389	-0.7	17	3	6	2	"InChI=1S/C9H11FN2O4S/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(3-17)16-7/h2,5-7,13,17H,1,3H2,(H,11,14,15)"	C1C(C(OC1N2C=C(C(=O)NC2=O)F)CS)O	PFPJGSFIFKFILK-UHFFFAOYSA-N
DG51505	1-(4-Bromophenyl)-3-carbamoylurea	253519	NSC76518; NCIOpen2_003995; CHEMBL1982959; ZINC1707933; NSC-76518; NCI60_041686	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76518	.	.	.	.	258.07	C8H8BrN3O2	84.2	227	2.3	14	3	2	1	"InChI=1S/C8H8BrN3O2/c9-5-1-3-6(4-2-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14)"	C1=CC(=CC=C1NC(=O)NC(=O)N)Br	OIAVPSZXWZTVCJ-UHFFFAOYSA-N
DG51506	"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl"	253522	"3,3'-dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl; 14185-44-5; NSC76523; CHEMBL1972496; DTXSID60291573; NSC-76523; ZINC73292436; DS-008150; 1,1-Biphenyl,3,3-dimethyl-2,2,4,4,6,6-hexanitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76523	.	.	.	.	452.25	C14H8N6O12	275	751	3.3	32	0	12	1	"InChI=1S/C14H8N6O12/c1-5-7(15(21)22)3-9(17(25)26)11(13(5)19(29)30)12-10(18(27)28)4-8(16(23)24)6(2)14(12)20(31)32/h3-4H,1-2H3"	CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	YREWUMZAYZMEAP-UHFFFAOYSA-N
DG51507	Mimbane	253676	"Mimbane; 1-Methylyohimbane; 1-Methylyohimban; 3277-59-6; Yohimban, 1-methyl-; UNII-J9XW583M0N; J9XW583M0N; NSC-76808; Mimbane [INN]; Mimban; NSC76808; NSC 76808; SCHEMBL488924; CHEMBL2110983; ZINC4213866; Q27281392; (1S,15R,20S)-3-methyl-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban; 1,3,4,4a,5,7,8,13,13b,14,14a-Dodecahydro-13-methylbenz[g]indolo[2,3-a]quinolizine; Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-13-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76808	.	.	.	.	294.4	C20H26N2	8.2	422	4.3	22	0	1	0	"InChI=1S/C20H26N2/c1-21-18-9-5-4-8-16(18)17-10-11-22-13-15-7-3-2-6-14(15)12-19(22)20(17)21/h4-5,8-9,14-15,19H,2-3,6-7,10-13H2,1H3/t14-,15-,19-/m0/s1"	CN1C2=CC=CC=C2C3=C1[C@@H]4C[C@@H]5CCCC[C@H]5CN4CC3	SNMPZBCEJSLAEK-DOXZYTNZSA-N
DG51508	NSC76919	253712	"5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; NSC76919; CHEMBL1970598; NSC-76919; NCI60_041692; 2-Pyridinecarboxylic acid,2,3,4,5,8-hexahydro- 5,8-dioxo-2-quinolinyl)-4-(2-hydroxy- 3,4-dimethoxyphenyl)-3-methyl-; 5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid; 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4-tetrahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76919	.	.	.	.	510.5	C25H26N4O8	196	1010	1.6	37	5	12	6	"InChI=1S/C25H26N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h6,8,12,28,30H,5,7,26-27H2,1-4H3,(H,33,34)"	CC1=C(C(=C(N=C1C(=O)O)C2CCC3=C(N2)C(=O)C(=C(C3=O)OC)N)N)C4=C(C(=C(C=C4)OC)OC)O	SQYHNFNEPRVUKC-UHFFFAOYSA-N
DG51509	"4-(anilinomethyl)-N,N-bis(2-chloroethyl)aniline"	253728	NSC76937; NCIOpen2_008554; ZINC1708257; NSC-76937	.	.	Investigative Drug(s)	Investigative	Small molecular drug	76937	.	.	.	.	323.3	C17H20Cl2N2	15.3	256	4.4	21	1	2	8	"InChI=1S/C17H20Cl2N2/c18-10-12-21(13-11-19)17-8-6-15(7-9-17)14-20-16-4-2-1-3-5-16/h1-9,20H,10-14H2"	C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(CCCl)CCCl	XWEUZDBSLDJWAS-UHFFFAOYSA-N
DG51510	diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate	253773	NSC77007; ZINC4821767; NSC-77007	.	.	Investigative Drug(s)	Investigative	Small molecular drug	77007	.	.	.	.	449.5	C22H31N3O7	141	621	1	32	4	8	14	"InChI=1S/C22H31N3O7/c1-4-31-20(29)22(24-15(3)28,21(30)32-5-2)13-16-14-23-19-17(16)7-6-8-18(19)25(9-11-26)10-12-27/h6-8,14,23,26-27H,4-5,9-13H2,1-3H3,(H,24,28)"	CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C	HSELHOSLVXGMDS-UHFFFAOYSA-N
DG51511	"(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone"	254174	"(2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone; 4038-15-7; 2,4,4'-TRIMETHOXYBENZOPHENONE; (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone; (2,4-dimethoxy-phenyl)-(4-methoxy-phenyl)-methanone; NSC78015; Maybridge1_005563; Oprea1_837791; MLS000861006; DivK1c_001851; SCHEMBL5902231; CHEMBL1608361; HMS557E19; DTXSID40291793; BDBM152505; ZINC173362; MFCD00100089; NSC-78015; 2,4-dimethoxy-4'-methoxybenzophenone; AKOS009159039; 2, 4-dimethoxy-4'-methoxybenzophenone; MCULE-6406860494; CDS1_000811; AS-67576; SMR000459790; DB-049577; CS-0150424; FT-0609775; EN300-73302; D97417; (2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone (18); Z1258943340; Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-, hydrochloride (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78015	.	.	.	.	272.29	C16H16O4	44.8	310	3.2	20	0	4	5	"InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3"	COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC	VFTDVICZBGDMMB-UHFFFAOYSA-N
DG51512	"N,N-bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline"	254234	"MLS002694061; 16208-04-1; NSC78298; NCIOpen2_008751; CHEMBL1900877; DTXSID50291805; HMS3079J15; ZINC1718768; NSC-78298; SMR001559993; DS-006635; BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(6-CHLORO-9H-PURIN-9-YL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78298	.	.	.	.	370.7	C15H14Cl3N5	46.8	361	4	23	0	4	6	"InChI=1S/C15H14Cl3N5/c16-5-7-22(8-6-17)11-1-3-12(4-2-11)23-10-21-13-14(18)19-9-20-15(13)23/h1-4,9-10H,5-8H2"	C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)N(CCCl)CCCl	QRPGGRCHUPLCMK-UHFFFAOYSA-N
DG51513	"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	254258	"NSC78365; NSC-78365; NCIMech_000260; CHEMBL1165112; ZINC5421922; CCG-35372; NCI60_041730; 1-(4-Chlorophenyl)-3-(4-butoxyphenyl)guanidine; Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78365	.	.	.	.	317.8	C17H20ClN3O	59.6	335	4.2	22	2	2	7	"InChI=1S/C17H20ClN3O/c1-2-3-12-22-16-10-8-15(9-11-16)21-17(19)20-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H3,19,20,21)"	CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)N	RFYALWRZJIRDDV-UHFFFAOYSA-N
DG51514	"3-Hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one"	254343	"NSC78634; CHEMBL76933; MLS002701916; 3-hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one; 3-Hydroxy-2-(2,4,6-trimethoxyphenyl)-4H-chromen-4-one; ZINC1718914; BDBM50051339; 2',4',6'-Trimethoxy-3-hydroxyflavone; NCI60_041736; SMR001565500; 4H-1-Benzopyran-4-one,4,6-trimethoxyphenyl)-; 3-Hydroxy-2-(2,4,6-trimethoxy-phenyl)-chromen-4-one; 4H-1-Benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	78634	.	.	.	.	328.3	C18H16O6	74.2	488	2.9	24	1	6	4	"InChI=1S/C18H16O6/c1-21-10-8-13(22-2)15(14(9-10)23-3)18-17(20)16(19)11-6-4-5-7-12(11)24-18/h4-9,20H,1-3H3"	COC1=CC(=C(C(=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O)OC	VXUQKRREWQZEQR-UHFFFAOYSA-N
DG51515	Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate	254720	"4261-02-3; NSC79250; ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate; DTXSID30291949; Benzoic acid,4-[(4-chloro-3-oxobutyl)formylamino]-, ethyl ester; NSC-79250; DS-007172"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79250	.	.	.	.	297.73	C14H16ClNO4	63.7	340	1.8	20	0	4	8	"InChI=1S/C14H16ClNO4/c1-2-20-14(19)11-3-5-12(6-4-11)16(10-17)8-7-13(18)9-15/h3-6,10H,2,7-9H2,1H3"	CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CCl)C=O	YTIHVRBBTKXDRM-UHFFFAOYSA-N
DG51516	"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone"	254760	"MLS002694120; 6699-50-9; NSC79304; NCIOpen2_008912; CHEMBL1726827; DTXSID50291961; HMS3085E24; NSC-79304; 2-chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone; SMR001560051; DS-003984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79304	.	.	.	.	315.2	C14H16Cl2N2O2	40.6	355	2.5	20	0	2	2	"InChI=1S/C14H16Cl2N2O2/c1-9-10(2)18(14(20)8-16)12-6-4-3-5-11(12)17(9)13(19)7-15/h3-6,9-10H,7-8H2,1-2H3"	CC1C(N(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl)C	FVCSHCORWAOAEB-UHFFFAOYSA-N
DG51517	"1,3-Bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine"	254860	"NSC79563; NSC-79563; NCIStruc1_000261; NCIStruc2_001602; CHEMBL1398138; 1,3-bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine; NCI79563; CCG-37476; NCGC00013853; ZINC19319578; NCGC00013853-02; NCGC00096963-01; NCI60_041757; 1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79563	.	.	.	.	511.5	C32H28Cl2N2	6.5	654	8.8	36	0	2	5	"InChI=1S/C32H28Cl2N2/c33-26-14-10-23(11-15-26)21-35-18-5-19-36(22-24-12-16-27(34)17-13-24)32(35)31-20-25-6-1-2-7-28(25)29-8-3-4-9-30(29)31/h1-4,6-17,20,32H,5,18-19,21-22H2"	C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C5=CC=CC=C53)CC6=CC=C(C=C6)Cl	ILRCCCMLZKMQGT-UHFFFAOYSA-N
DG51518	"3-(5,6a-dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid"	254882	"NSC79606; NCIOpen2_008756; NSC-79606; 3-(5,6a-dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid; 3-(5,6a-Dimethyl-3-oxo-7-(propionyloxy)dodecahydrocyclopenta[f]chromen-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	79606	.	.	.	.	366.4	C20H30O6	89.9	601	3	26	1	6	6	"InChI=1S/C20H30O6/c1-4-16(23)25-14-7-6-13-12-5-8-17(24)26-18(12)19(2,10-9-15(21)22)11-20(13,14)3/h12-14,18H,4-11H2,1-3H3,(H,21,22)"	CCC(=O)OC1CCC2C1(CC(C3C2CCC(=O)O3)(C)CCC(=O)O)C	MVEKQKDGIZGWCM-UHFFFAOYSA-N
DG51519	"1,4-Bis(2-methylaziridin-1-yl)butane-2,3-diol"	254975	"15870-20-9; 2, 1,4-bis(2-methyl-1-aziridinyl)-; 1,4-bis(2-methylaziridin-1-yl)butane-2,3-diol; NSC83287; NCIOpen2_000664; NCIOpen2_000864; NCIOpen2_001244; DTXSID00292044; NSC80103; NSC80104; NSC-80103; NSC-80104; NSC-83287"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80103	.	.	.	.	200.28	C10H20N2O2	46.5	190	-0.5	14	2	4	5	"InChI=1S/C10H20N2O2/c1-7-3-11(7)5-9(13)10(14)6-12-4-8(12)2/h7-10,13-14H,3-6H2,1-2H3"	CC1CN1CC(C(CN2CC2C)O)O	JIXGRSTZINBWQO-UHFFFAOYSA-N
DG51520	"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline"	254980	"4-(benzyloxy)-n,n-bis(2-chloroethyl)aniline; 17794-35-3; NSC80111; NCIOpen2_009271; SCHEMBL4914033; DTXSID80292047; ZINC1724322; NSC-80111; DS-009902; BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-(PHENYLMETHOXY)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80111	.	.	.	.	324.2	C17H19Cl2NO	12.5	258	4.7	21	0	2	8	"InChI=1S/C17H19Cl2NO/c18-10-12-20(13-11-19)16-6-8-17(9-7-16)21-14-15-4-2-1-3-5-15/h1-9H,10-14H2"	C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCl)CCCl	AICZHGUHMDUPES-UHFFFAOYSA-N
DG51521	Benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate	254983	"NSC80126; NSC-80126; SCHEMBL4615932; CHEMBL1399699; NCI80126; CCG-37320; NCGC00013854; NCGC00013854-02; NCGC00096964-01; NCI60_041764; benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate; Cyclopentanecarboxylic acid, benzyl ester, p-toluenesulfonate; 1-aminocyclopentanecarboxylic acid benzyl ester p-toluenesulfonic acid salt; Cyclopentanecarboxylic acid, phenylmethyl ester, 4-methylbenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80126	.	.	.	.	391.5	C20H25NO5S	115	447	.	27	2	6	5	"InChI=1S/C13H17NO2.C7H8O3S/c14-13(8-4-5-9-13)12(15)16-10-11-6-2-1-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7H,4-5,8-10,14H2;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N	JSLBQWTZDSOEJN-UHFFFAOYSA-N
DG51522	"6,7-dichloro-9H-fluoren-2-amine"	254996	"6,7-dichloro-9H-fluoren-2-amine; NSC80141; MLS002694393; NSC-80141; 97027-56-0; NCIOpen2_004206; CHEMBL1700730; HMS3088O03; ZINC1724340; SMR001560322"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80141	.	.	.	.	250.12	C13H9Cl2N	26	271	4.4	16	1	1	0	"InChI=1S/C13H9Cl2N/c14-12-5-8-3-7-4-9(16)1-2-10(7)11(8)6-13(12)15/h1-2,4-6H,3,16H2"	C1C2=CC(=C(C=C2C3=C1C=C(C=C3)N)Cl)Cl	PAILPOTUYGAUEW-UHFFFAOYSA-N
DG51523	1-(4-Cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea	255329	NSC80734; MLS000736875; CHEMBL1304177; GTPL10497; HMS2852N15; NSC-80734; 1-(4-cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea; SMR000528359	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80734	.	.	.	.	488.5	C28H20N6O3	139	776	4	37	4	5	6	"InChI=1S/C28H20N6O3/c29-17-19-1-5-21(6-2-19)31-27(35)33-23-9-13-25(14-10-23)37-26-15-11-24(12-16-26)34-28(36)32-22-7-3-20(18-30)4-8-22/h1-16H,(H2,31,33,35)(H2,32,34,36)"	C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N	NKTXGJQCHFJKQJ-UHFFFAOYSA-N
DG51524	1-(4-Nitrophenyl)-3-[4-[4-[(4-nitrophenyl)carbamoylamino]phenoxy]phenyl]urea	255330	MLS000736876; CHEMBL1432046; NSC80735; HMS2884L09; ZINC4896601; BDBM50269653; NSC-80735; SMR000528360	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80735	.	.	.	.	528.5	C26H20N6O7	183	765	4.2	39	4	7	6	"InChI=1S/C26H20N6O7/c33-25(27-17-1-9-21(10-2-17)31(35)36)29-19-5-13-23(14-6-19)39-24-15-7-20(8-16-24)30-26(34)28-18-3-11-22(12-4-18)32(37)38/h1-16H,(H2,27,29,33)(H2,28,30,34)"	C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]	GXCFQNUEHPMLFI-UHFFFAOYSA-N
DG51525	"Hydrouracil, 5-bromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-"	255402	"1031-61-4; NSC80870; NCIOpen2_009013; Uridine,6-dihydro-6-methoxy-; SCHEMBL6671773; CHEMBL1969630; DTXSID20908195; NSC-80870; NCI60_041774; 5-Bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxyhydrouracil; Hydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-; Hydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxy-; 5-Bromo-1-(2-deoxypentofuranosyl)-5-fluoro-4-hydroxy-6-methoxy-5,6-dihydropyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80870	.	.	.	.	357.13	C10H14BrFN2O6	108	427	-0.3	20	3	7	3	"InChI=1S/C10H14BrFN2O6/c1-19-8-10(11,12)7(17)13-9(18)14(8)6-2-4(16)5(3-15)20-6/h4-6,8,15-16H,2-3H2,1H3,(H,13,17,18)"	COC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(F)Br	JXBABPBZPSKYSI-UHFFFAOYSA-N
DG51526	NSC80997	255437	"1-[(1r,2r,3As,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone; 14000-43-2; NSC80997; 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone; CHEMBL4296856; DTXSID20292223; ZINC4896677; NSC-80997; 2,3'-Pyrazolo)pregna-4,6-dien-20-one, 11.beta.,17-dihydroxy-6,16.alpha.-dimethyl-2'-phenyl-; Ketone,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenylcyclopenta[7,8]phenanthro[2,3-c]pyrazol-1-yl methyl"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	80997	.	.	.	.	472.6	C30H36N2O3	75.4	969	4	35	2	4	2	"InChI=1S/C30H36N2O3/c1-17-11-22-24-12-18(2)30(35,19(3)33)29(24,5)15-26(34)27(22)28(4)14-20-16-31-32(25(20)13-23(17)28)21-9-7-6-8-10-21/h6-11,13,16,18,22,24,26-27,34-35H,12,14-15H2,1-5H3/t18-,22+,24+,26+,27-,28+,29+,30+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C	JNLRDLXILRYUQT-RCBUNWFXSA-N
DG51527	"7-Chloro-6-methoxyquinoline-5,8-dione"	255470	"59962-96-8; 7-chloro-6-methoxyquinoline-5,8-dione; NSC81048; SCHEMBL9669361; CHEMBL1976886; DTXSID10292237; NSC-81048; NCI60_041780"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81048	.	.	.	.	223.61	C10H6ClNO3	56.3	351	1.7	15	0	4	1	"InChI=1S/C10H6ClNO3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,1H3"	COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl	YAHHUAWLRNXMJC-UHFFFAOYSA-N
DG51528	"3,3',4,4',5-Pentamethoxybenzophenone"	255605	"3,3',4,4',5-Pentamethoxybenzophenone; 22699-97-4; (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)methanone; MLS002694421; (3,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone; Methanone,(3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; NSC81274; Benzophenone, 3,3',4,4',5-pentamethoxy-; CHEMBL47505; SCHEMBL4824662; DTXSID10292272; HMS3089I16; Methanone, (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; ZINC1574350; MFCD00025726; NSC-81274; AKOS024332424; MCULE-3460162821; Benzophenone,3',4,4',5-pentamethoxy-; NCI60_041784; SMR001560350; Methanone,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-; (3,4-Dimethoxy-phenyl)-(3,4,5-trimethoxy-phenyl)-methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81274	.	.	.	.	332.3	C18H20O6	63.2	387	3.1	24	0	6	7	"InChI=1S/C18H20O6/c1-20-13-7-6-11(8-14(13)21-2)17(19)12-9-15(22-3)18(24-5)16(10-12)23-4/h6-10H,1-5H3"	COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC	LEGVQFQAMCUMQW-UHFFFAOYSA-N
DG51529	N-fluoranthen-2-ylacetamide	255622	MLS002694422; SMR001560351; 13823-55-7; N-fluoranthen-2-ylacetamide; n-(fluoranthen-2-yl)acetamide; NSC81303; NCIOpen2_004269; N-fluoranthen-2-ylethanamide; N-(2-fluoranthenyl)acetamide; cid_255622; CHEMBL1711735; DTXSID40292280; BDBM100167; HMS3089I14; ZINC1574366; NSC-81303	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81303	.	.	.	.	259.3	C18H13NO	29.1	393	4.3	20	1	1	1	"InChI=1S/C18H13NO/c1-11(20)19-13-9-12-5-4-8-16-14-6-2-3-7-15(14)17(10-13)18(12)16/h2-10H,1H3,(H,19,20)"	CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C4=CC=CC=C42	DCGVCFDUNWGKEI-UHFFFAOYSA-N
DG51530	NSC81403	255700	"[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] acetate; NSC81403; NSC-81403; 2'H-Pregna-2,6-trieno[3,2-c]pyrazol-20-one, 21-(acetyloxy)-2'-(4-fluorophenyl)-11,17-dihydroxy-6,16-dimethyl-, (11.beta.,16.alpha.)-; 2,3'-Pyrazolo)pregna-4,6-dien-20-one, 2'-(p-fluorophenyl)-11.beta.,17,21-trihydroxy-6,16.alpha.-dimethyl-, 21-acetate; Ketone,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethylcyclopenta-[7,8]phenanthro[2,3-c]pyrazol-1-yl hydroxymethyl, acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81403	.	.	.	.	548.6	C32H37FN2O5	102	1130	4	40	2	7	5	"InChI=1S/C32H37FN2O5/c1-17-10-23-25-11-18(2)32(39,28(38)16-40-19(3)36)31(25,5)14-27(37)29(23)30(4)13-20-15-34-35(26(20)12-24(17)30)22-8-6-21(33)7-9-22/h6-10,12,15,18,23,25,27,29,37,39H,11,13-14,16H2,1-5H3/t18-,23+,25+,27+,29-,30+,31+,32+/m1/s1"	C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C	KJNKUWPHEOSYKL-YKODMQRZSA-N
DG51531	"5,5-Dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one"	255766	"NSC81517; NCIOpen2_004273; CHEMBL1972314; 5,5-dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one; NSC-81517; NCI60_041788; 5,5-Dimethyl-6,6a,12,12a-tetrahydro-5H-benzo[c]acridin-7-one; Benz[c]acridin-7(5H)-one,6a,12,12a-tetrahydro-5,5-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81517	.	.	.	.	277.4	C19H19NO	29.1	429	4.2	21	1	2	0	"InChI=1S/C19H19NO/c1-19(2)11-14-17(12-7-3-5-9-15(12)19)20-16-10-6-4-8-13(16)18(14)21/h3-10,14,17,20H,11H2,1-2H3"	CC1(CC2C(C3=CC=CC=C31)NC4=CC=CC=C4C2=O)C	YELPSWNUSCYROL-UHFFFAOYSA-N
DG51532	1-((Benzylamino)methyl)-2-naphthalenethiol	255831	NSC81747; NSC-81747; 1-((benzylamino)methyl)-2-naphthalenethiol; NCIStruc1_000358; NCIStruc2_000412; CHEMBL1371696; SCHEMBL15684680; NCI81747; ZINC1627327; CCG-36348; NCGC00013862; NCGC00013862-02; NCGC00096972-01; NCI60_041792	.	.	Investigative Drug(s)	Investigative	Small molecular drug	81747	.	.	.	.	279.4	C18H17NS	13	287	4.2	20	2	2	4	"InChI=1S/C18H17NS/c20-18-11-10-15-8-4-5-9-16(15)17(18)13-19-12-14-6-2-1-3-7-14/h1-11,19-20H,12-13H2"	C1=CC=C(C=C1)CNCC2=C(C=CC3=CC=CC=C32)S	BLEHTALMHJHORQ-UHFFFAOYSA-N
DG51533	2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide	255922	"2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide; NSC82025; CHEMBL512058; 73454-90-7; NCIMech_000054; Benzamide, 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitro-; DTXSID10292353; 2',3-Dinitro-p-salicylotoluidide; BDBM50274870; CCG-35328; NSC-82025; AKOS025296117; NCI60_041799"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82025	.	.	.	.	317.25	C14H11N3O6	141	474	3.2	23	2	6	2	"InChI=1S/C14H11N3O6/c1-8-5-6-10(12(7-8)17(22)23)15-14(19)9-3-2-4-11(13(9)18)16(20)21/h2-7,18H,1H3,(H,15,19)"	CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)[N+](=O)[O-]	ILZBTXJTJLPKLA-UHFFFAOYSA-N
DG51534	"N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide"	255923	"MLS002701922; CHEMBL458112; 73454-96-3; NSC82028; cid_255923; SCHEMBL7161715; DTXSID70292354; BDBM50275143; NSC-82028; NCI60_041800; SMR001565506; Benzamide,3-dimethylphenyl)-2-hydroxy-3-nitro-; N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82028	.	.	.	.	286.28	C15H14N2O4	95.2	396	3.5	21	2	4	2	"InChI=1S/C15H14N2O4/c1-9-5-3-7-12(10(9)2)16-15(19)11-6-4-8-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)"	CC1=C(C(=CC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C	GCJQONISBVKGOY-UHFFFAOYSA-N
DG51535	Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate	256046	15314-34-8; NSC82274; ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate; CHEMBL1999275; DTXSID20292400; NSC-82274; ZINC73417853; NCI60_041810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82274	.	.	.	.	561.7	C27H31NO8S2	133	861	5	38	0	9	14	"InChI=1S/C27H31NO8S2/c1-4-34-27(29)23-9-11-24(12-10-23)28(17-19-35-37(30,31)25-13-5-21(2)6-14-25)18-20-36-38(32,33)26-15-7-22(3)8-16-26/h5-16H,4,17-20H2,1-3H3"	CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C	LFMCXGOXPYSVNK-UHFFFAOYSA-N
DG51536	NSC82802	256248	"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; NSC82802; NSC-82802; CHEMBL1969730; ZINC4877271; NCI60_041815"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82802	.	.	.	.	410.5	C23H33F3N2O	48.9	642	6.2	29	2	5	1	"InChI=1S/C23H33F3N2O/c1-21-9-7-14(29)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19-12-20(28-27-19)23(24,25)26/h12-18,29H,3-11H2,1-2H3,(H,27,28)/t13-,14-,15-,16-,17-,18+,21-,22-/m0/s1"	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5=CC(=NN5)C(F)(F)F)C)O	VDGOOKRFIJJCSX-FNNUVKTMSA-N
DG51537	NSC82803	256249	"[(3S,8S,9S,10R,13S,14S,17S)-17-[1-acetyl-5-(trifluoromethyl)pyrazol-3-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; NSC82803; NSC-82803; CHEMBL1983017; ZINC4897129; NCI60_041816; (3S,9R,10S,13R)-17-(1-acetyl-5-(trifluoro methyl)-1H-pyrazol-3-yl)-10,13-dimethyl-2,3, 4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro 1H-cyclopenta[a]phenanthren-3-yl-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	82803	.	.	.	.	492.6	C27H35F3N2O3	61.2	920	5.8	35	0	7	3	"InChI=1S/C27H35F3N2O3/c1-15(33)32-24(27(28,29)30)14-23(31-32)22-8-7-20-19-6-5-17-13-18(35-16(2)34)9-11-25(17,3)21(19)10-12-26(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,25-,26-/m0/s1"	CC(=O)N1C(=CC(=N1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(F)(F)F	BXVQIEJJUANJMC-MKPDMXAPSA-N
DG51538	"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone"	256296	"NSC83014; 22703-72-6; 1,1,1-trichloro-2-hydroxy-6-methyl-4-heptanone; NSC-83014; SCHEMBL7117942; CHEMBL1985065; DTXSID80292466; NCI60_041819"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83014	.	.	.	.	247.5	C8H13Cl3O2	37.3	175	2.4	13	1	2	4	"InChI=1S/C8H13Cl3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5,7,13H,3-4H2,1-2H3"	CC(C)CC(=O)CC(C(Cl)(Cl)Cl)O	LXHWHFYGBOTFKX-UHFFFAOYSA-N
DG51539	N-(2-Chloroethyl)-N'-(3-pyridinyl)urea	256330	"13908-58-2; N-(2-Chloroethyl)-N'-(3-pyridinyl)urea; 1-(2-chloroethyl)-3-pyridin-3-ylurea; 3-(2-chloroethyl)-1-(pyridin-3-yl)urea; Urea, N-(2-chloroethyl)-N'-3-pyridinyl-; 1-(2-Chloroethyl)-3-(pyridin-3-yl)urea; NSC83110; Urea,N-(2-chloroethyl)-N'-3-pyridinyl-; NCIOpen2_001084; SCHEMBL3787099; CHEMBL2006596; DTXSID60930314; MFCD08689730; NSC-83110; ZINC12351844; AKOS005072738; FA-0861; N-(2-Chloroethyl)-N'-pyridin-3-ylurea; N-(2-chloroethyl)-N'-(3-pyridyl) urea; NCI60_041822; 1-(2-Chloro-ethyl)-3-pyridin-3-yl-urea; DB-126478; FT-0680993; J-502985; N'-(2-Chloroethyl)-N-pyridin-3-ylcarbamimidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83110	.	.	.	.	199.64	C8H10ClN3O	54	166	0.8	13	2	2	3	"InChI=1S/C8H10ClN3O/c9-3-5-11-8(13)12-7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H2,11,12,13)"	C1=CC(=CN=C1)NC(=O)NCCCl	GHKZUTAGOUFZGD-UHFFFAOYSA-N
DG51540	Tritylcysteine	256411	"H-Cys(Trt)-OH; Tritylcysteine; Tritylthioalanine; STLC; 25840-82-8; NSC83265; 2-amino-3-tritylsulfanylpropanoic acid; MLS002701924; L-Cysteine, S-(triphenylmethyl)-; 3-Tritylthio-L-alanine; (2S)-2-azaniumyl-3-tritylsulfanylpropanoate; L-Alanine, 3-(tritylthio)-; S-trityl cysteine; 25683-09-4; 2-Amino-3-[Tri(Phenyl)Methylsulfanyl]Propanoic Acid; D-Cysteine, S-(triphenylmethyl)-; MFCD00236948; NSC-83265; Neuro_000036; NCIOpen2_009275; SCHEMBL768202; CHEMBL1722808; CHEBI:110183; HMS3268P17; DL-Cysteine, S-(triphenylmethyl)-; NSC124663; NSC124676; NSC321080; AKOS025116935; MCULE-5776259142; NSC-124663; NSC-124676; NSC-321080; 2-amino-3-tritylsulfanyl-propanoic acid; DS-14666; NCI60_041831; SMR001565508; SY030411; SY066589; DB-017859; (2R)-2-amino-3-tritylsulfanylpropanoic acid; FT-0634495; FT-0686503; 2-amino-3-[(triphenylmethyl)thio]propanoic acid; 2-amino-3-[(triphenylmethyl)sulfanyl]propanoic acid; BRD-A81392774-001-01-2; Q27189564"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83265	.	.	.	.	363.5	C22H21NO2S	88.6	392	2	26	2	4	7	"InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	DLMYFMLKORXJPO-UHFFFAOYSA-N
DG51541	Agecorynin C	256420	"Agecorynin C; 70460-31-0; 5,6,7,8-Tetramethoxy-2-(2,4,5-trimethoxyphenyl)-4H-chromen-4-one; UNII-Q44S2K78D4; CHEBI:79466; Q44S2K78D4; 2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one; NSC83279; NSC-83279; 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one; NSC 83279; CHEMBL521296; DTXSID10220732; ZINC1730690; LMPK12111503; NCI60_041832; 2',4',5,5',6,7,8-heptamethoxyflavone; Q27148537; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)-; 5,6,7,8-Tetramethoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83279	.	.	.	.	432.4	C22H24O9	90.9	639	3	31	0	9	8	"InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3"	COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC	GQZBZQRNQGILGI-UHFFFAOYSA-N
DG51542	"2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one"	256422	"2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one; NSC83281; 70460-26-3; UNII-217WT1F3WE; 217WT1F3WE; NSC-83281; NSC 83281; CHEMBL74706; DTXSID20220728; NCI60_041833; 2-(4-isopropoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one; 4H-1-Benzopyran-4-one,6,7,8-tetramethoxy-2-[4-(1-methyl ethoxy)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83281	.	.	.	.	400.4	C22H24O7	72.4	582	3.8	29	0	7	7	"InChI=1S/C22H24O7/c1-12(2)28-14-9-7-13(8-10-14)16-11-15(23)17-18(24-3)20(25-4)22(27-6)21(26-5)19(17)29-16/h7-12H,1-6H3"	CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC	RTUSIIWBOUVOLS-UHFFFAOYSA-N
DG51543	"1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole"	256427	"4241-42-3; 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole; NSC83292; Neuro_000037; NCIOpen2_009144; CHEMBL2003507; DTXSID40292503; ZINC1730697; NSC-83292; NCI60_041834; 6H-Pyrido[4, 1-(p-chlorophenyl)-3,4-dihydro-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83292	.	.	.	.	344.8	C22H17ClN2	28.2	524	5.8	25	1	1	1	"InChI=1S/C22H17ClN2/c1-13-16-10-11-24-22(14-6-8-15(23)9-7-14)18(16)12-19-17-4-2-3-5-20(17)25-21(13)19/h2-9,12,25H,10-11H2,1H3"	CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5N2	DRLPKPSUSZYUDY-UHFFFAOYSA-N
DG51544	ethyl N-fluoranthen-3-ylcarbamate	256431	MLS002694150; NSC83300; NCIOpen2_004551; CHEMBL1704210; SCHEMBL11659539; HMS3085E22; ZINC1730701; NSC-83300; SMR001560081	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83300	.	.	.	.	289.3	C19H15NO2	38.3	424	4.8	22	1	2	3	"InChI=1S/C19H15NO2/c1-2-22-19(21)20-17-11-10-15-13-7-4-3-6-12(13)14-8-5-9-16(17)18(14)15/h3-11H,2H2,1H3,(H,20,21)"	CCOC(=O)NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43	GJAJDMJVIYHOBG-UHFFFAOYSA-N
DG51545	"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-"	256444	"MLS000737113; SMR000528377; Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-; 88210-37-1; NSC83318; NCIOpen2_009197; SCHEMBL2681652; CHEMBL1526174; BDBM66064; cid_5357652; DTXSID40418281; HMS2885K24; NSC-83318; ZINC18193841; ZINC18193844; 3,5-dichloro-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one; Phenol,5-dichloro-4-[(4-nitrophenyl)azo]-; 3,5-dichloro-4-[(4-nitrophenyl)hydrazono]cyclohexa-2,5-dien-1-one; 3,5-dichloro-4-[(4-nitrophenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone; 3,5-bis(chloranyl)-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83318	.	.	.	.	312.1	C12H7Cl2N3O3	90.8	357	4.4	20	1	5	2	"InChI=1S/C12H7Cl2N3O3/c13-10-5-9(18)6-11(14)12(10)16-15-7-1-3-8(4-2-7)17(19)20/h1-6,18H"	C1=CC(=CC=C1N=NC2=C(C=C(C=C2Cl)O)Cl)[N+](=O)[O-]	ZTXWNIBRQUVRQR-UHFFFAOYSA-N
DG51546	2-Fluoren-9-ylidenemethyl-pyridine	256447	"MLS002694155; 2871-27-4; SMR000723185; 2-Fluoren-9-ylidenemethyl-pyridine; 2-(fluoren-9-ylidenemethyl)pyridine; NSC83321; pyridylmethylidenefluorene; NCIOpen2_004673; cid_256447; CHEMBL1711563; BDBM93921; DTXSID70292511; HMS3085K24; 2-(9-fluorenylidenemethyl)pyridine; ZINC4115659; NSC-83321; STK756818; Fluorene, 9-(2-pyridinyl)methylene-; AKOS000635424; 2-(9H-fluoren-9-ylidenmethyl)pyridine; MCULE-2054625030; 2-(9H-Fluoren-9-ylidenemethyl)pyridine; 2-(9H-Fluoren-9-ylidenemethyl)pyridine #; EU-0018224; SR-01000517724; SR-01000517724-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83321	.	.	.	.	255.3	C19H13N	12.9	348	4.1	20	0	1	1	InChI=1S/C19H13N/c1-3-10-17-15(8-1)16-9-2-4-11-18(16)19(17)13-14-7-5-6-12-20-14/h1-13H	C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=CC=N4	WKMNILFJGKLWSI-UHFFFAOYSA-N
DG51547	1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea	256452	6662-94-8; 1-{7-[bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea; NSC83327; CHEMBL1991781; DTXSID90292513; ZINC1730843; NSC-83327	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83327	.	.	.	.	406.3	C21H25Cl2N3O	44.4	472	4.8	27	2	2	8	"InChI=1S/C21H25Cl2N3O/c1-2-9-24-21(27)25-17-3-5-19-15(13-17)12-16-14-18(4-6-20(16)19)26(10-7-22)11-8-23/h3-6,13-14H,2,7-12H2,1H3,(H2,24,25,27)"	CCCNC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(CCCl)CCCl	GLJZANKYEVWKEB-UHFFFAOYSA-N
DG51548	"1,1-dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	256526	"TCMDC-124262; 6452-08-0; NSC83459; CHEMBL546849; SCHEMBL23483677; DTXSID00418282; ZINC5599649; NSC-83459; STK370077; AKOS005445315; MCULE-4903303130; Indole-2, 3-(4,4-dimethyl-3-thiosemicarbazone); (3Z)-1H-Indole-2,3-dione 3-(N,N-dimethylthiosemicarbazone); 1,1-dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea; (z)-N,N-dimethyl-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide; (2Z)-N,N-dimethyl-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83459	.	.	.	.	248.31	C11H12N4OS	96.1	321	2.6	17	2	3	1	"InChI=1S/C11H12N4OS/c1-15(2)11(17)14-13-9-7-5-3-4-6-8(7)12-10(9)16/h3-6,12,16H,1-2H3"	CN(C)C(=S)N=NC1=C(NC2=CC=CC=C21)O	ZQNRZEOPQMUIBY-UHFFFAOYSA-N
DG51549	"1,3-Benzodioxol-5-yl-[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	256556	MLS002694516; NSC83492; NCIOpen2_008992; CHEMBL1733868; HMS3085N06; ZINC1730964; NSC-83492; AKOS000348956; MCULE-6177006339; SMR001560442	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83492	.	.	.	.	360.9	C18H17ClN2O2S	57	458	4	24	0	4	2	"InChI=1S/C18H17ClN2O2S/c19-14-2-1-3-15(11-14)20-6-8-21(9-7-20)18(24)13-4-5-16-17(10-13)23-12-22-16/h1-5,10-11H,6-9,12H2"	C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC4=C(C=C3)OCO4	AGCCYFQBWLFQII-UHFFFAOYSA-N
DG51550	"(3,4-Dimethoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanethione"	256566	NSC83502; NCIOpen2_009074; ZINC1730973; NSC-83502	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83502	.	.	.	.	356.5	C20H24N2O2S	57	439	3.9	25	0	4	4	"InChI=1S/C20H24N2O2S/c1-15-5-4-6-17(13-15)21-9-11-22(12-10-21)20(25)16-7-8-18(23-2)19(14-16)24-3/h4-8,13-14H,9-12H2,1-3H3"	CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC(=C(C=C3)OC)OC	CKONIXRQPXPCTM-UHFFFAOYSA-N
DG51551	(4-Benzoyl-3-hydroxyphenyl) 2-ethylhexanoate	256608	NSC83606; CHEMBL1979901; NSC-83606; NCI60_041841	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83606	.	.	.	.	340.4	C21H24O4	63.6	428	6.1	25	1	4	9	"InChI=1S/C21H24O4/c1-3-5-9-15(4-2)21(24)25-17-12-13-18(19(22)14-17)20(23)16-10-7-6-8-11-16/h6-8,10-15,22H,3-5,9H2,1-2H3"	CCCCC(CC)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O	ZCVNWLRGTCLNIG-UHFFFAOYSA-N
DG51552	"2-Pyridin-3-yl-2,3-dihydro-1H-perimidine"	256661	"2-Pyridin-3-yl-2,3-dihydro-1H-perimidine; MLS000737117; 6584-41-4; SMR000528381; NSC83715; NCIOpen2_004556; Oprea1_433990; Oprea1_652084; MLS001164766; cid_256661; CHEMBL1322453; BDBM50641; ZINC28671; DTXSID90292573; HMS2851O20; NSC-83715; STL361983; AKOS000545846; MCULE-4432103886; 2-(3-pyridyl)-2,3-dihydro-1H-perimidine; 2-(3-pyridinyl)-2,3-dihydro-1H-perimidine; 2-(pyridin-3-yl)-2,3-dihydro-1H-perimidine; SR-01000438970; SR-01000438970-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	83715	.	.	.	.	247.29	C16H13N3	37	299	3.5	19	2	3	1	"InChI=1S/C16H13N3/c1-4-11-5-2-8-14-15(11)13(7-1)18-16(19-14)12-6-3-9-17-10-12/h1-10,16,18-19H"	C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CN=CC=C4	ZUOLBTXPELTJQQ-UHFFFAOYSA-N
DG51553	3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde	256729	3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde; CHEBI:79524; NSC84033; ZINC4897423; NSC-84033; 65065-57-8; 3beta-Acetoxy-5alpha-androsta-16-ene-16-carbaldehyde; Q27148619	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84033	.	.	.	.	344.5	C22H32O3	43.4	608	5.1	25	0	3	3	"InChI=1S/C22H32O3/c1-14(24)25-17-6-9-22(3)16(11-17)4-5-18-19(22)7-8-21(2)12-15(13-23)10-20(18)21/h12-13,16-20H,4-11H2,1-3H3/t16-,17-,18+,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=C4)C=O)C)C	IZJWIBVOSGOTPV-MZLYOWLHSA-N
DG51554	7-[(2-Bromoanilino)-phenylmethyl]quinolin-8-ol	256750	NSC84086; NSC-84086	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84086	.	.	.	.	405.3	C22H17BrN2O	45.2	442	5.7	26	2	3	4	"InChI=1S/C22H17BrN2O/c23-18-10-4-5-11-19(18)25-20(15-7-2-1-3-8-15)17-13-12-16-9-6-14-24-21(16)22(17)26/h1-14,20,25-26H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4Br	ZTTCRWKPIONBEL-UHFFFAOYSA-N
DG51555	7-[(Naphthalen-1-ylamino)-phenylmethyl]quinolin-8-ol	256754	NSC84092; NCIOpen2_009321; NSC-84092	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84092	.	.	.	.	376.4	C26H20N2O	45.2	519	6.3	29	2	3	4	"InChI=1S/C26H20N2O/c29-26-22(16-15-20-12-7-17-27-25(20)26)24(19-9-2-1-3-10-19)28-23-14-6-11-18-8-4-5-13-21(18)23/h1-17,24,28-29H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=CC=CC=C54	YDLXQKOBCIJTTR-UHFFFAOYSA-N
DG51556	7-(Phenyl(4-toluidino)methyl)-8-quinolinol	256755	NSC84093; CHEMBL2003928; NSC-84093; 7-(phenyl(4-toluidino)methyl)-8-quinolinol; Oprea1_149709; CBDivE_014194; SCHEMBL11955279; BDBM50500095; STL577318; AKOS003010695; MCULE-6315033200; NCI60_041846; 7-(phenyl(p-tolylamino)methyl)quinolin-8-ol; 7-{[(4-methylphenyl)amino](phenyl)methyl}quinolin-8-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84093	.	.	.	.	340.4	C23H20N2O	45.2	428	5.4	26	2	3	4	"InChI=1S/C23H20N2O/c1-16-9-12-19(13-10-16)25-21(17-6-3-2-4-7-17)20-14-11-18-8-5-15-24-22(18)23(20)26/h2-15,21,25-26H,1H3"	CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O	HUMXPASVXGPBQJ-UHFFFAOYSA-N
DG51557	7-[Phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol	256756	NSC84094; 304685-32-3; CHEMBL1688558; 7-[phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol; 7-{phenyl[(pyridin-2-yl)amino]methyl}quinolin-8-ol; NSC-84094; 7-(phenyl(pyridin-2-ylamino)methyl)quinolin-8-ol; Enamine_000429; Oprea1_081069; Oprea1_364130; 7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol; SCHEMBL5090192; HMS1395D11; BDBM50339142; STL487020; AKOS000808675; AKOS016195443; MCULE-1762993935; NCGC00187803-01; NCGC00187803-02; NCI60_041847; 7-(phenyl(2-pyridinylamino)methyl)-8-quinolinol; rac-7-(phenyl(pyridin-2-ylamino)methyl)quinolin-8-ol; Z56773904; F0318-0085	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84094	.	.	.	.	327.4	C21H17N3O	58	412	4.3	25	2	4	4	"InChI=1S/C21H17N3O/c25-21-17(12-11-16-9-6-14-23-20(16)21)19(15-7-2-1-3-8-15)24-18-10-4-5-13-22-18/h1-14,19,25H,(H,22,24)"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4	WHPVVFZPXKODBB-UHFFFAOYSA-N
DG51558	7-[Phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol	256758	"NSC-84096; 908813-78-5; 7-[phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol; NSC84096; CHEMBL1688557; 7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol; SCHEMBL9962877; BDBM50339141; NCGC00187799-01; NCI60_041848; 7-[phenyl-(8-quinolylamino)methyl]quinolin-8-ol; 8-Quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-; 8-Quinolinol, {7-[.alpha.-(8-quinolylamino)benzyl]-}; rac-7-(phenyl(quinolin-8-ylamino)methyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	84096	.	.	.	.	377.4	C25H19N3O	58	522	5.3	29	2	4	4	"InChI=1S/C25H19N3O/c29-25-20(14-13-19-11-6-16-27-24(19)25)22(17-7-2-1-3-8-17)28-21-12-4-9-18-10-5-15-26-23(18)21/h1-16,22,28-29H"	C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=C4N=CC=C5	RBSPENDGIMQZGB-UHFFFAOYSA-N
DG51559	"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol"	257143	"NSC85068; 92503-66-7; 2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol; 2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano(2,3-d)pyrimidin-7-ol; NSC 85068; NCIOpen2_001212; NSC-85068"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85068	.	.	.	.	197.26	C8H11N3OS	97.3	192	1	13	2	5	0	"InChI=1S/C8H11N3OS/c1-4-5-2-3-6(12)13-7(5)11-8(9)10-4/h6,12H,2-3H2,1H3,(H2,9,10,11)"	CC1=C2CCC(SC2=NC(=N1)N)O	PIHUGIWDQMUROZ-UHFFFAOYSA-N
DG51560	Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate	257269	93017-66-4; Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate; Methyl 3-{5-[bis(2-chloroethyl)amino]-1H-indol-3-yl}propanoate; NSC85230; NCIOpen2_009413; DTXSID60292742; ZINC1752344; NSC-85230	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85230	.	.	.	.	343.2	C16H20Cl2N2O2	45.3	351	2.6	22	1	3	9	"InChI=1S/C16H20Cl2N2O2/c1-22-16(21)5-2-12-11-19-15-4-3-13(10-14(12)15)20(8-6-17)9-7-18/h3-4,10-11,19H,2,5-9H2,1H3"	COC(=O)CCC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl	UJMUCMMVMLXILD-UHFFFAOYSA-N
DG51561	"6,9a-Dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione"	257272	"MLS002701926; NSC85235; SMR001565510; 10.Alpha.H-Ambrosa-2,11(13)-dien-12-oic acid, 6.beta.-hydroxy-4-oxo-, .gamma.-lactone; 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione; cid_257272; SCHEMBL3463664; CHEMBL1730820; BDBM97029; NSC-85235; 6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione; NCI60_041869; 10.alpha.H-Ambrosa-2, 6.beta.-hydroxy-4-oxo-, .gamma.-lactone; 6,9a-Dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione; 6,9a-Dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione #; 6,9a-dimethyl-3-methylene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-quinone; {Azuleno[4,5-b]furan-2,9-dione,} 3,3a,4,5,6,6a,9a, 9b-octahydro-6,9a-dimethyl-3-methylene-, {[3aS-(3a.alpha.,6.beta.,} 6a.alpha.,9a.beta.,9b.alpha.)]-; Azuleno[4,5-b]furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, [3as-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-; Azuleno[4,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85235	.	.	.	.	246.3	C15H18O3	43.4	476	2.6	18	0	3	0	"InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3"	CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C	IFXGCKRDLITNAU-UHFFFAOYSA-N
DG51562	Coronopilin	257278	"Coronopilin; Coronopolin; 2571-81-5; CHEBI:3888; (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione; NSC85242; (-)-coronopilin; MLS001164194; CHEMBL248564; SCHEMBL8422737; HMS2875K08; ZINC4026171; NSC-85242; AKOS015969697; NCGC00246200-01; NCI60_041874; SMR000539537; C09381; Q27106230; Azuleno[4,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85242	.	.	.	.	264.32	C15H20O4	63.6	483	1.3	19	1	4	0	"InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1"	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C	GEUJJEYGSRWXPC-JISBIHODSA-N
DG51563	"5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	257295	"NSC85262; NSC-85262; NCIStruc1_000640; NCIStruc2_000530; CHEMBL1742167; NCI85262; ZINC1752377; CCG-38329; NCGC00013889; NCGC00013889-02; NCGC00096999-01; NCI60_041877; 5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85262	.	.	.	.	227.26	C10H17N3O3	87.3	294	0.1	16	3	4	5	"InChI=1S/C10H17N3O3/c1-3-10(5-6-11-4-2)7(14)12-9(16)13-8(10)15/h11H,3-6H2,1-2H3,(H2,12,13,14,15,16)"	CCC1(C(=O)NC(=O)NC1=O)CCNCC	HSZVKXDGGILCNR-UHFFFAOYSA-N
DG51564	3-Methyl-4-cinnolinol	257352	3-Methyl-4-cinnolinol; NSC85323; 7317-82-0; UNII-V1G7II8M3G; V1G7II8M3G; 3-METHYLCINNOLIN-4-OL; MLS002694617; NSC-85323; 3-methylcinnolin-4(1h)-one; NSC 85323; NCIStruc1_000179; NCIStruc2_000177; SCHEMBL6480580; CHEMBL1741880; SCHEMBL22124938; DTXSID90223423; HMS3086K09; NCI85323; ZINC8582183; CCG-36319; NCGC00013890; NCGC00013890-02; NCGC00097000-01; NCI60_041879; SMR001560542	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85323	.	.	.	.	160.17	C9H8N2O	41.5	235	1.3	12	1	3	0	"InChI=1S/C9H8N2O/c1-6-9(12)7-4-2-3-5-8(7)11-10-6/h2-5H,1H3,(H,11,12)"	CC1=NNC2=CC=CC=C2C1=O	YVRPDIPJOFBYAL-UHFFFAOYSA-N
DG51565	"2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol"	257434	"2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol; 16797-57-2; NCIOpen2_009336; CHEBI:79680; DTXSID20292768; NSC85450; ZINC1760391; NSC-85450; Q27148808; 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(pyrrolizinomethyl)-2H-1-benzopyran-7-ol; 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85450	.	.	.	.	393.5	C25H31NO3	41.9	587	4.3	29	1	4	5	"InChI=1S/C25H31NO3/c1-5-19-20-12-13-22(27)21(16-26-14-6-7-15-26)24(20)29-25(2,3)23(19)17-8-10-18(28-4)11-9-17/h8-13,27H,5-7,14-16H2,1-4H3"	CCC1=C(C(OC2=C1C=CC(=C2CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC	SBRIHEHOOSDSDU-UHFFFAOYSA-N
DG51566	"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol"	257459	"NSC85485; NSC-85485; NCIStruc1_001322; NCIStruc2_001416; CHEMBL1337781; 2,4-dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol; NCI85485; ZINC1760437; CCG-36530; NCGC00013898; NCGC00013898-02; NCGC00097007-01; NCI60_041888"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85485	.	.	.	.	303.6	C13H9Cl3O2	40.5	277	5	18	2	2	2	"InChI=1S/C13H9Cl3O2/c14-9-5-8(13(18)11(16)6-9)3-7-1-2-12(17)10(15)4-7/h1-2,4-6,17-18H,3H2"	C1=CC(=C(C=C1CC2=C(C(=CC(=C2)Cl)Cl)O)Cl)O	SSGFIWUNXJVUJB-UHFFFAOYSA-N
DG51567	"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	257608	NSC85775; NSC-85775	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85775	.	.	.	.	194.23	C11H14O3	54.4	282	.	14	1	3	1	"InChI=1S/C10H12O2.CH2O/c1-7(2)8-4-3-5-9(11)10(12)6-8;1-2/h3-7H,1-2H3,(H,11,12);1H2"	CC(C)C1=CC(=O)C(=CC=C1)O.C=O	OEDWYFSBEMTJLH-UHFFFAOYSA-N
DG51568	"N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide"	257612	NSC85779; CHEMBL1978917; ZINC1760627; NSC-85779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	85779	.	.	.	.	271.27	C15H13NO4	75.6	482	2	20	2	4	3	"InChI=1S/C15H13NO4/c1-20-12-6-2-10(3-7-12)15(19)16-11-4-8-13(17)14(18)9-5-11/h2-9H,1H3,(H,16,19)(H,17,18)"	COC1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O	DPALTHDQYPLENE-UHFFFAOYSA-N
DG51569	"5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	257702	NSC86100; MLS002694669; 4238-67-9; NCIMech_000403; NCIOpen2_004955; CHEMBL1863836; DTXSID90292856; HMS3085L14; ZINC1760791; CCG-35530; NSC-86100; NCI60_041904; SMR001560594	.	.	Investigative Drug(s)	Investigative	Small molecular drug	86100	.	.	.	.	234.29	C16H14N2	28.2	351	3.2	18	1	1	0	"InChI=1S/C16H14N2/c1-10-12-6-7-17-9-11(12)8-14-13-4-2-3-5-15(13)18-16(10)14/h2-5,8-9,18H,6-7H2,1H3"	CC1=C2CCN=CC2=CC3=C1NC4=CC=CC=C43	HEIREDMIGONFIR-UHFFFAOYSA-N
DG51570	"1-(1,3-Benzodioxol-5-yl(1-piperazinyl)methyl)piperazine"	258237	"NSC87015; NSC-87015; NCIStruc1_001440; NCIStruc2_001376; CHEMBL1742313; SCHEMBL15329365; 1-(1,3-benzodioxol-5-yl(1-piperazinyl)methyl)piperazine; NCI87015; CCG-36853; NCGC00013911; ZINC19319018; 1,3]dioxol-5-ylmethylene)dipiperazine; NCGC00013911-02; NCGC00097020-01; NCI60_041926"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87015	.	.	.	.	304.39	C16H24N4O2	49	340	0.6	22	2	6	3	"InChI=1S/C16H24N4O2/c1-2-14-15(22-12-21-14)11-13(1)16(19-7-3-17-4-8-19)20-9-5-18-6-10-20/h1-2,11,16-18H,3-10,12H2"	C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4	ASZPIRKUABZLDL-UHFFFAOYSA-N
DG51571	(2-Methoxyquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone	258251	MLS002694734; NSC87034; CHEMBL1725833; HMS3087E17; ZINC1561595; NSC-87034; SMR001560656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87034	.	.	.	.	347.4	C21H21N3O2	45.7	472	3.5	26	0	4	3	"InChI=1S/C21H21N3O2/c1-26-20-15-18(17-9-5-6-10-19(17)22-20)21(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3"	COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=C4	KUMVNHAVDWQQBN-UHFFFAOYSA-N
DG51572	"1,3-Benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)methanol"	258293	MLS000737142; NSC87084; NCIOpen2_009397; CHEMBL1349247; HMS2884N13; NSC-87084; SMR000528388	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87084	.	.	.	.	331.4	C17H17NO4S	89	372	3.1	23	1	6	5	"InChI=1S/C17H17NO4S/c1-20-12-8-10(9-13(21-2)16(12)22-3)15(19)17-18-11-6-4-5-7-14(11)23-17/h4-9,15,19H,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)O	WOCWYIDQVMNHRI-UHFFFAOYSA-N
DG51573	Strophanthidol	258412	"Strophanthidol; 560-54-3; UNII-K1K9Y2IT7W; K1K9Y2IT7W; NSC87314; 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; k-Strophanthidol; EINECS 209-211-4; NSC 87314; CHEMBL1628279; SCHEMBL21578405; (3beta,5beta)-3,5,14,19-Tetrahydroxycard-20(22)-enolide; ZINC3881937; MFCD00056528; NSC-87314; AKOS030503911; NCI60_041931; 5.beta.-Card-20(22)-enolide,5,14,19-tetrahydroxy-; WLN: L E5 B666TJ AVH E1 IQ MQ OQ F- CT5O CUTJ EQ; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14,19-TETRAHYDROXY-; 5beta-Card-20(22)-enolide, 3beta,5,14,19-tetrahydroxy- (8CI); Card-20(22)-enolide,5,14,19-tetrahydroxy-, (3.beta.,5.beta.)-; Card-20(22)-enolide, 3,5,14,19-tetrahydroxy-, (3-beta,5-beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87314	.	.	.	.	406.5	C23H34O6	107	750	0.5	29	4	6	2	"InChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O	ZNDMLUUNNNHNKC-HZXDTFASSA-N
DG51574	"3,6-Dibromophenanthrene-9,10-dione"	258450	"53348-05-3; 3,6-dibromophenanthrene-9,10-dione; 3,6-Dibromo-phenanthrenequinone; 3,6-Dibromo-9,10-phenanthrenequinone; 3,6-dibromo-phenanthrene-9,10-dione; 9,10-Phenanthrenedione, 3,6-dibromo-; 3,6-dibromophenanthrene-9,10-quinone; 3,6-DIBROMO-9,10-PHENANTHRENEDIONE; MFCD00451676; NSC87364; NCIOpen2_009470; SCHEMBL597375; DTXSID00293137; ZINC1562030; CX1145; NSC-87364; QC-648; 3,6-Dibromophenanthrene-9 10-dione; AKOS016000229; AM62657; OL10161; SB66331; AS-13792; BC004628; SY104900; CS-0080728; FT-0660279; X7250; J10327; 348D053"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87364	.	.	.	.	366	C14H6Br2O2	34.1	346	3.9	18	0	2	0	InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H	C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O	WPEJBJRFPBMVGJ-UHFFFAOYSA-N
DG51575	Solacongestidine	258526	"Solacongestidine; 984-82-7; CHEBI:69481; NSC87500; SCHEMBL8432197; CHEMBL1966977; DTXSID80913306; (3beta,5alpha,25beta)-16,28-Secosolanid-22(28)-en-3-ol; 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-; NSC 87500; NSC-87500; ZINC73313915; NCI60_041933; Q27137819; (25 )-16,28-Seco-5 -Solanid-22(28)-En-3 -Ol; 20-(5-Methyl-3,4,5,6-tetrahydropyridin-2-yl)pregnan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	87500	.	.	.	.	399.7	C27H45NO	32.6	657	6.7	29	1	2	2	"InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,29H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1"	C[C@@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C	MSKAAWFUKWQOQS-YNAJWQGRSA-N
DG51576	"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol"	258759	NSC88054; CHEMBL1976104; NSC-88054	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88054	.	.	.	.	416.3	C17H12N4O9	197	499	.	30	1	10	2	"InChI=1S/C11H9NO2.C6H3N3O7/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H"	COC1=CC2=C(C=CN=C2C=C1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	XSVQKIWQJQVJHH-UHFFFAOYSA-N
DG51577	2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol	258769	NSC88065; NSC-88065; 2-(((2-hydroxyethyl)(methyl)amino)methyl)-3-pyridinol; 2-{[(2-hydroxyethyl)(methyl)amino]methyl}-3-pyridinol; NCIStruc1_000137; NCIStruc2_000297; CHEMBL1602591; NCI88065; ZINC2022244; CCG-36240; NCGC00013919; NCGC00013919-02; NCGC00097028-01; NCI60_041948	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88065	.	.	.	.	182.22	C9H14N2O2	56.6	144	-0.3	13	2	4	4	"InChI=1S/C9H14N2O2/c1-11(5-6-12)7-8-9(13)3-2-4-10-8/h2-4,12-13H,5-7H2,1H3"	CN(CCO)CC1=C(C=CC=N1)O	UNAOAABHBPDLMI-UHFFFAOYSA-N
DG51578	"3-[(1s,2s)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea"	258797	"3-[(1s,2s)-2-chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea; 13909-12-1; SRI 2636; 3-[(1R,2R)-2-Chlorocyclohexyl]-1-(2-chloroethyl)-1-nitrosourea; NSC-88104; Urea, 3-(trans-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-; CHEMBL2001752; NSC88104; ZINC4901025; NCI60_041949; trans-3(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88104	.	.	.	.	268.14	C9H15Cl2N3O2	61.8	253	2.7	16	1	3	3	"InChI=1S/C9H15Cl2N3O2/c10-5-6-14(13-16)9(15)12-8-4-2-1-3-7(8)11/h7-8H,1-6H2,(H,12,15)/t7-,8-/m0/s1"	C1CC[C@@H]([C@H](C1)NC(=O)N(CCCl)N=O)Cl	AVQDABCAQFMRFT-YUMQZZPRSA-N
DG51579	"2,3,6,23-Tetrahydroxyurs-12-en-28-oic acid"	258809	"Madecassic acid; 18449-41-7; NSC88135; 2,3,6,23-tetrahydroxyurs-12-en-28-oic acid; NSC-88135; CHEMBL1993179; SCHEMBL14286199; DTXSID70939838; (1S,2R,4aS,6aS,6bR,8R,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; AKOS032948362; AS-71289; NCI60_041951; Q27140267; 8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88135	.	.	.	.	504.7	C30H48O6	118	963	4.4	36	5	6	2	"InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)"	CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O	PRAUVHZJPXOEIF-UHFFFAOYSA-N
DG51580	"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide"	258918	"NSC88381; 5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide; 4600-17-3; NSC 88381; NCIOpen2_005232; CHEMBL2002991; NSC-88381; NCI60_041954; 5-chloro-2-phenyl-2-thioxo-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88381	.	.	.	.	280.71	C12H10ClN2PS	56.2	333	5.1	17	2	3	1	"InChI=1S/C12H10ClN2PS/c13-9-6-7-11-12(8-9)15-16(17,14-11)10-4-2-1-3-5-10/h1-8H,(H2,14,15,17)"	C1=CC=C(C=C1)P2(=S)NC3=C(N2)C=C(C=C3)Cl	BZBDLTMAECHPOY-UHFFFAOYSA-N
DG51581	"(1R,13R,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol"	258957	"Crinamine; Crinamin; NSC88421; CHEMBL1995397; NSC-88421; NCI60_041958; 4a.beta.,11b.alpha.-Crinan-12-ol, 1,2-didehydro-3.alpha.-methoxy-, (12S)-; Crinan-11-ol,2-didehydro-3-methoxy-, (3.alpha.,5.alpha.,11R,13.beta.,19.alpha.)-; Crinan-18-ol,2-didehydro-3-methoxy-, (3.alpha.,5.beta.,6.alpha.,17.alpha.,18R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88421	.	.	.	.	301.34	C17H19NO4	51.2	497	1.3	22	1	5	1	"InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16 ,17+/m0/s1"	CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O	YGPRSGKVLATIHT-DMNNGBKGSA-N
DG51582	"3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate"	259210	"3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate; 21170-34-3; NSC88915; UNII-J6CZ92K8RU; NSC-88915; J6CZ92K8RU; CHEMBL387152; NSC-8891; Pregn-4-ene-3,20-dione, 21-[[(4-bromophenyl)sulfonyl]oxy]-; 3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate; [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate; Pregn-4-ene-3,20-dione, 21-(((4-bromophenyl)sulfonyl)oxy)-; SCHEMBL13856957; DTXSID40943503; ZINC4901407; BDBM50158383; [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate; NCI60_041972; 11-Deoxycorticosterone, p-bromobenzenesulfonate; 170D343; 3,20-Dioxopregn-4-en-21-yl 4-bromobenzene-1-sulfonate; 21-(((4-Bromophenyl)sulfonyl)oxy)pregn-4-ene-3,20-dione; 4-Pregnen-21-ol-3,20-dione 21-(4-bromobenzenesulfonate); 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate); 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88915	.	.	.	.	549.5	C27H33BrO5S	85.9	976	5.2	34	0	5	5	"InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=O)CC[C@]35C	ZQNARVKYKGBJES-YNHSGCSHSA-N
DG51583	NSC88916	259211	"(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC88916; CHEMBL4296980; ZINC4901408; NSC-88916; 10,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88916	.	.	.	.	369.6	C23H31NOS	58.2	644	5.5	26	0	3	1	"InChI=1S/C23H31NOS/c1-14-24-21(13-26-14)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12-13,17-20H,4-11H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1"	CC1=NC(=CS1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C	NIYPNKHDGWDAOX-ACXQXYJUSA-N
DG51584	"N-(1,3-dichloro-7-nitro-9H-fluoren-2-yl)formamide"	259241	MLS002694895; NSC88971; NCIOpen2_009613; CHEMBL1868563; HMS3092K09; ZINC1569594; NSC-88971; SMR001560810	.	.	Investigative Drug(s)	Investigative	Small molecular drug	88971	.	.	.	.	323.1	C14H8Cl2N2O3	74.9	431	3.8	21	1	3	1	"InChI=1S/C14H8Cl2N2O3/c15-12-5-10-9-2-1-8(18(20)21)3-7(9)4-11(10)13(16)14(12)17-6-19/h1-3,5-6H,4H2,(H,17,19)"	C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Cl)NC=O)Cl	GJFZJSMAFTXMPI-UHFFFAOYSA-N
DG51585	N-methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline	259517	N-methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline; 92547-69-8; NSC89488; DTXSID60293436; ZINC1575396; NSC-89488	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89488	.	.	.	.	243.4	C15H17NS	37.3	203	4.3	17	1	2	4	"InChI=1S/C15H17NS/c1-12-3-9-15(10-4-12)17-11-13-5-7-14(16-2)8-6-13/h3-10,16H,11H2,1-2H3"	CC1=CC=C(C=C1)SCC2=CC=C(C=C2)NC	FNGCRYAMOUMXPF-UHFFFAOYSA-N
DG51586	"N,4-bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline"	259528	NSC89500; NSC-89500	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89500	.	.	.	.	420.4	C21H19Cl2NS2	53.8	388	7.6	26	0	3	7	"InChI=1S/C21H19Cl2NS2/c1-24(15-26-21-12-6-18(23)7-13-21)19-8-2-16(3-9-19)14-25-20-10-4-17(22)5-11-20/h2-13H,14-15H2,1H3"	CN(CSC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl	HMDDZKREVHHSDA-UHFFFAOYSA-N
DG51587	"1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4-methoxyphenoxy)methyl]-"	259580	"MLS000736884; 1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- methoxyphenoxy)methyl]-; NSC89602; NCIOpen2_009888; CHEMBL1440234; HMS2884P11; NSC-89602; SMR000528409; 450-49-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	89602	.	.	.	.	376.9	C20H25ClN2O3	45.2	391	3.5	26	1	5	7	"InChI=1S/C20H25ClN2O3/c1-25-19-6-8-20(9-7-19)26-15-18(24)14-22-10-12-23(13-11-22)17-4-2-16(21)3-5-17/h2-9,18,24H,10-15H2,1H3"	COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O	HNNUHKGIGFXJNI-UHFFFAOYSA-N
DG51588	"Sulfide,4-dinitrophenyl 2-nitro-p-tolyl"	259746	"NSC90137; NCIOpen2_009692; NSC-90137; ZINC104062406; Sulfide,4-dinitrophenyl 2-nitro-p-tolyl; Sulfide,4-dinitrophenyl-2-nitro-p-tolyl-; Benzene,4-dinitrophenyl)thio]-4-methyl-2-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90137	.	.	.	.	335.29	C13H9N3O6S	163	474	3.8	23	0	7	2	"InChI=1S/C13H9N3O6S/c1-8-2-4-12(10(6-8)15(19)20)23-13-5-3-9(14(17)18)7-11(13)16(21)22/h2-7H,1H3"	CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	PZRYEIXLMWQMAM-UHFFFAOYSA-N
DG51589	"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole"	259766	"NSC90311; MLS000736895; NSC-90311; NCIStruc1_001281; NCIStruc2_001506; CHEMBL1329648; 2-(3,4-dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole; HMS2802C13; NCI90311; ZINC1580735; CCG-36509; NCGC00013942; NCGC00013942-02; NCGC00097051-01; NCI60_042000; SMR000444180"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90311	.	.	.	.	341.2	C18H10Cl2N2O	38.9	411	5.6	23	0	3	2	InChI=1S/C18H10Cl2N2O/c19-15-9-8-12(10-16(15)20)17-21-22-18(23-17)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H	C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl	HCDVIQXPGHCUKY-UHFFFAOYSA-N
DG51590	"9H-Purine,8-diamino-9-beta-D-ribofuranosyl-"	259812	"15830-57-6; NCIOpen2_005589; SCHEMBL6675376; SCHEMBL17412455; DTXSID60935889; NSC90394; NSC-90394; NSC111701; NSC112435; AKOS015918437; NSC-111701; NSC-112435; FT-0658744; 9H-Purine,8-diamino-9-.beta.-D-ribofuranosyl-; A824234; 8-Imino-9-pentofuranosyl-8,9-dihydro-7H-purin-6-amine; 2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 15830-62-3"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90394	.	.	.	.	282.26	C10H14N6O4	166	363	-1.4	20	5	9	2	"InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)"	C1=NC(=C2C(=N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O)N	DVGWFQILDUEEGX-UHFFFAOYSA-N
DG51591	N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide	259820	"CHEMBL464807; 73454-91-8; N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide; NSC90411; Benzamide, N-(2-ethylphenyl)-2-hydroxy-3-nitro-; SCHEMBL2061039; 2'-Ethyl-3-nitrosalicylanilide; DTXSID30293529; BDBM50274868; NSC-90411; NCI60_042004"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90411	.	.	.	.	286.28	C15H14N2O4	95.2	382	3.6	21	2	4	3	"InChI=1S/C15H14N2O4/c1-2-10-6-3-4-8-12(10)16-15(19)11-7-5-9-13(14(11)18)17(20)21/h3-9,18H,2H2,1H3,(H,16,19)"	CCC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	ZMRHTPIJGGJNLI-UHFFFAOYSA-N
DG51592	"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole"	260000	"NSC90810; MLS002701939; 52596-89-1; NSC-90810; 2-(4-methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole; NCIStruc1_000645; NCIStruc2_000636; CHEMBL1405325; DTXSID90293580; NCI90810; ZINC1581022; CCG-36682; NCGC00013951; NCGC00013951-02; NCGC00097060-01; NCI60_042016; SMR001565522"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90810	.	.	.	.	286.3	C19H14N2O	38.9	366	4.7	22	0	3	2	"InChI=1S/C19H14N2O/c1-13-6-8-15(9-7-13)18-20-21-19(22-18)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3"	CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3	QGEPNMGVLCARHP-UHFFFAOYSA-N
DG51593	"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole"	260020	"37611-27-1; 2-(2-bromophenyl)-5-phenyl-1,3-oxazole; NSC90862; CHEMBL1975255; SCHEMBL14133170; DTXSID30293589; 2-(2-Bromphenyl)-5-phenyloxazol; ZINC393847; 2-(o-bromphenyl)-5-phenyl-oxazol; NSC-90862; NCI60_042021"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	90862	.	.	.	.	300.15	C15H10BrNO	26	267	5.4	18	0	2	2	InChI=1S/C15H10BrNO/c16-13-9-5-4-8-12(13)15-17-10-14(18-15)11-6-2-1-3-7-11/h1-10H	C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3Br	ACHQLEXCQKFTOV-UHFFFAOYSA-N
DG51594	1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol	260309	MLS000737719; MLS000736919; SMR000528427; NSC91397; cid_260309; CHEMBL1516308; BDBM58096; HMS2880I13; NSC-91397; NSC111210; 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol; NSC-111210; 1-[4-(4-chlorophenyl)piperazino]-3-(1-naphthoxy)propan-2-ol; 1-[4-(4-chlorophenyl)-1-piperazinyl]-3-(1-naphthalenyloxy)-2-propanol; 1-[4-(4-chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxy-propan-2-ol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	91397	.	.	.	.	396.9	C23H25ClN2O2	35.9	464	4.8	28	1	4	6	"InChI=1S/C23H25ClN2O2/c24-19-8-10-20(11-9-19)26-14-12-25(13-15-26)16-21(27)17-28-23-7-3-5-18-4-1-2-6-22(18)23/h1-11,21,27H,12-17H2"	C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl	LNTLXTBBTXSOSV-UHFFFAOYSA-N
DG51595	5-Fluoro-7-nitroquinolin-8-ol	260644	"5-fluoro-7-nitroquinolin-8-ol; MLS000736929; 18472-02-1; NSC92207; 5-Fluoro-7-nitro-quinolin-8-ol; NSC-92207; SMR000528432; 8-Quinolinol, 5-fluoro-7-nitro-; NCIOpen2_005925; NCIOpen2_006002; CHEMBL139935; cid_260644; 5-fluoro-7-nitro-8-quinolinol; BDBM66065; DTXSID50293783; HMS2880K14; 5-fluoranyl-7-nitro-quinolin-8-ol; ZINC1598066; DS-008964"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92207	.	.	.	.	208.15	C9H5FN2O3	78.9	258	2.3	15	1	5	0	"InChI=1S/C9H5FN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H"	C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])F	WJOHCSADJQUMCX-UHFFFAOYSA-N
DG51596	"Uridine, 3',5'-bis(p-nitrobenzoate)"	260750	"7057-44-5; NSC92423; DTXSID40990794; NSC-92423; Uridine, 3',5'-bis(p-nitrobenzoate); 1-[2-Deoxy-3,5-bis-O-(4-nitrobenzoyl)pentofuranosyl]-4-hydroxy-5-(trifluoromethyl)pyrimidin-2(1H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92423	.	.	.	.	594.4	C24H17F3N4O11	203	1140	3.1	42	1	14	8	"InChI=1S/C24H17F3N4O11/c25-24(26,27)16-10-29(23(35)28-20(16)32)19-9-17(42-22(34)13-3-7-15(8-4-13)31(38)39)18(41-19)11-40-21(33)12-1-5-14(6-2-12)30(36)37/h1-8,10,17-19H,9,11H2,(H,28,32,35)"	C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]	MRWCZWASOUTDDT-UHFFFAOYSA-N
DG51597	"5-Allyl-2,4,6-trichloropyrimidine"	260780	"5-allyl-2,4,6-trichloropyrimidine; 10182-68-0; 5-allyl-2,4,6-trichloro-pyrimidine; 2,4,6-trichloro-5-prop-2-enylpyrimidine; NSC92494; SCHEMBL645408; CHEMBL1984521; DTXSID60293815; ZINC4921613; 2,4,6-Trichloro-5-allylpyrimidine; NSC-92494; NCI60_042045; Pyrimidine,4,6-trichloro-5-(2-propenyl)-; A1-04033"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92494	.	.	.	.	223.5	C7H5Cl3N2	25.8	153	4.2	12	0	2	2	"InChI=1S/C7H5Cl3N2/c1-2-3-4-5(8)11-7(10)12-6(4)9/h2H,1,3H2"	C=CCC1=C(N=C(N=C1Cl)Cl)Cl	RXPZJYKGHXZIEJ-UHFFFAOYSA-N
DG51598	"5-Butan-2-yl-2,4,6-trichloropyrimidine"	260781	"14273-78-0; 5-butan-2-yl-2,4,6-trichloropyrimidine; NSC92495; NCIOpen2_005931; Pyrimidine,2,4,6-trichloro-5-(1-methylpropyl)-; CHEMBL1991489; DTXSID20293816; NSC-92495; NCI60_042046; DS-012377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92495	.	.	.	.	239.5	C8H9Cl3N2	25.8	156	4.8	13	0	2	2	"InChI=1S/C8H9Cl3N2/c1-3-4(2)5-6(9)12-8(11)13-7(5)10/h4H,3H2,1-2H3"	CCC(C)C1=C(N=C(N=C1Cl)Cl)Cl	UMJHCDWEUQUBNJ-UHFFFAOYSA-N
DG51599	"Pyrimidine, 2,4,6-trichloro-5-pentyl-"	260783	"2,4,6-trichloro-5-pentyl-pyrimidine; 14077-67-9; Pyrimidine, 2,4,6-trichloro-5-pentyl-; NSC92497; CHEMBL1990286; DTXSID80293817; ZINC4921616; NSC-92497; Pyrimidine,4,6-trichloro-5-pentyl-; NCI60_042047; DS-003584"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92497	.	.	.	.	253.6	C9H11Cl3N2	25.8	156	5.5	14	0	2	4	"InChI=1S/C9H11Cl3N2/c1-2-3-4-5-6-7(10)13-9(12)14-8(6)11/h2-5H2,1H3"	CCCCCC1=C(N=C(N=C1Cl)Cl)Cl	ODIFFIIRIFKTLN-UHFFFAOYSA-N
DG51600	"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine"	260784	"14077-69-1; 2,4,6-trichloro-5-(3-methylbutyl)pyrimidine; NSC92498; NCIOpen2_005971; Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-; SCHEMBL5556067; CHEMBL1965704; DTXSID40293818; ZINC1598229; NSC-92498; NCI60_042048; DS-012378"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92498	.	.	.	.	253.6	C9H11Cl3N2	25.8	165	5.2	14	0	2	3	"InChI=1S/C9H11Cl3N2/c1-5(2)3-4-6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3"	CC(C)CCC1=C(N=C(N=C1Cl)Cl)Cl	YLMRYOCDUSEBFI-UHFFFAOYSA-N
DG51601	"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine"	260785	"14095-65-9; 2,4,6-trichloro-5-(pentan-2-yl)pyrimidine; NSC92499; NCIOpen2_006011; CHEMBL1995751; DTXSID00293819; NSC-92499; NCI60_042049"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92499	.	.	.	.	253.6	C9H11Cl3N2	25.8	167	5.3	14	0	2	3	"InChI=1S/C9H11Cl3N2/c1-3-4-5(2)6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3"	CCCC(C)C1=C(N=C(N=C1Cl)Cl)Cl	TWQMDUZDMLZWNR-UHFFFAOYSA-N
DG51602	"5-Benzyl-2,4,6-trichloropyrimidine"	260789	"14273-79-1; 5-benzyl-2,4,6-trichloropyrimidine; NSC92504; CHEMBL1984227; SCHEMBL11877767; DTXSID30293822; ZINC4921626; NSC-92504; 5-benzyl-2,4,6-trichloro-pyrimidine; NCI60_042050"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92504	.	.	.	.	273.5	C11H7Cl3N2	25.8	209	5	16	0	2	2	"InChI=1S/C11H7Cl3N2/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2"	C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)Cl)Cl	DUUCYJQQRKIAKM-UHFFFAOYSA-N
DG51603	"2,4,6-Trichloro-5-heptylpyrimidine"	260791	"14077-71-5; 2,4,6-trichloro-5-heptylpyrimidine; Pyrimidine, 2,4,6-trichloro-5-heptyl-; NSC92506; CHEMBL1969370; DTXSID50293824; ZINC1598236; NSC-92506; Pyrimidine,4,6-trichloro-5-heptyl-; NCI60_042051"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92506	.	.	.	.	281.6	C11H15Cl3N2	25.8	180	6.6	16	0	2	6	"InChI=1S/C11H15Cl3N2/c1-2-3-4-5-6-7-8-9(12)15-11(14)16-10(8)13/h2-7H2,1H3"	CCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl	NIOGDGYWVRUKRP-UHFFFAOYSA-N
DG51604	"2,4,6-Trichloro-5-nonylpyrimidine"	260795	"NSC92510; 14077-73-7; 2,4,6-trichloro-5-nonylpyrimidine; Pyrimidine,2,4,6-trichloro-5-nonyl-; NCIMech_000294; NCIOpen2_009960; CHEMBL1968654; DTXSID90293828; CCG-35307; NSC-92510; ZINC59364461; NCI60_042052; DS-012379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92510	.	.	.	.	309.7	C13H19Cl3N2	25.8	204	7.7	18	0	2	8	"InChI=1S/C13H19Cl3N2/c1-2-3-4-5-6-7-8-9-10-11(14)17-13(16)18-12(10)15/h2-9H2,1H3"	CCCCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl	KVTJZGNCSHIZHR-UHFFFAOYSA-N
DG51605	6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid	260801	"2495-92-3; 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid; 6-Benzyloxy-5-methoxyindole-2-carboxylic acid; CHEMBL37880; 6-Benzyloxy-5-methoxy-1H-indole-2-carboxylic acid; 5-methoxy-6-phenylmethoxy-1H-indole-2-carboxylic acid; MFCD00055977; Crotonicanhydride; NSC92530; SCHEMBL3243291; 1H-Indole-2-carboxylicacid, 5-methoxy-6-(phenylmethoxy)-; DTXSID80293832; ZINC402728; BDBM50407310; NSC 92530; NSC-92530; 6-Benzyloxy-5-methoxy-2-carboxyindole; Indole, 6-benzyloxy-2-carboxy-5-methoxy-; FT-0620960; J-015750; 5-Methoxy-6-(benzyloxy)-1H-indole-2-carboxylic acid; 6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid #; 6-Benzyloxy-5-methoxy-2-carboxyindole, >=99%, powder"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92530	.	.	.	.	297.3	C17H15NO4	71.6	383	3.3	22	2	4	5	"InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)"	COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3	JMOOGCFXFNKYCS-UHFFFAOYSA-N
DG51606	[3-Benzoyloxy-2-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] benzoate	260901	"13143-92-5; [3-benzoyloxy-2-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] benzoate; Methyl 2-O,3-O-dibenzoyl-4-O-(p-tolylsulfonyl)-beta-L-arabinopyranoside; NSC92713; DTXSID30927195; NSC-92713; Arabinopyranoside, 2,3-dibenzoate 4-p-toluenesulfonate, .beta.-L-; Methyl 2,3-di-O-benzoyl-4-O-(4-methylbenzene-1-sulfonyl)pentopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92713	.	.	.	.	526.6	C27H26O9S	123	850	4.5	37	0	9	10	"InChI=1S/C27H26O9S/c1-18-13-15-21(16-14-18)37(30,31)36-22-17-33-27(32-2)24(35-26(29)20-11-7-4-8-12-20)23(22)34-25(28)19-9-5-3-6-10-19/h3-16,22-24,27H,17H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC	JCSXKIONPSDJBE-UHFFFAOYSA-N
DG51607	"N-[bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide"	260983	NSC92835; CHEMBL1993926; ZINC4878493; NSC-92835; NCI60_042060	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92835	.	.	.	.	361.4	C21H23N5O	86.5	517	3.4	27	3	3	3	"InChI=1S/C21H23N5O/c1-10-6-15-16(7-11(10)2)24-20(23-15)19(22-14(5)27)21-25-17-8-12(3)13(4)9-18(17)26-21/h6-9,19H,1-5H3,(H,22,27)(H,23,24)(H,25,26)"	CC1=CC2=C(C=C1C)N=C(N2)C(C3=NC4=C(N3)C=C(C(=C4)C)C)NC(=O)C	PBKSRLRVYSIOHO-UHFFFAOYSA-N
DG51608	"Arsenic(III)oxide,arsenic trioxide,arsenous acid anhydride,arsenous acid,arsenic sesquioxide,white arsenic"	261004	"MFCD00003433; arsenic(iii)oxide,arsenic trioxide,arsenous acid anhydride,arsenous acid,arsenic sesquioxide,white arsenic; arsenic-trioxide; CHEMBL1200978; Arsenic(III) oxide, elec. gr.; NSC92859; Arsenic(III) oxide, Puratronic(R); Arsenic(III) oxide, primary standard; AKOS015903780; DB01169; Arsenic(III) oxide, p.a., 99.0%; NCGC00164639-02; Arsenic(III) oxide, 99.995% trace metals basis; Arsenic(III) oxide, ReagentPlus(R), >=99.0%; Arsenic(III) oxide, SAJ first grade, >=99.0%; Arsenic(III) oxide, ACS reagent (primary standard); J-006219; Arsenic(III) oxide, puriss. p.a., ACS reagent, 99.95-100.05% (RT); Arsenic(III) oxide, certified reference material for titrimetry, certified by BAM, according to ISO 17025, >99.5%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92859	.	.	.	.	197.841	As2O3	43.4	34.2	.	5	0	3	0	InChI=1S/As2O3/c3-1-5-2-4	O=[As]O[As]=O	IKWTVSLWAPBBKU-UHFFFAOYSA-N
DG51609	Antineoplastic-92909	261046	NSC92909; ANTINEOPLASTIC-92909; NSC-92909	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92909	.	.	.	.	448.18	C16H18As2N4O2	110	405	.	24	4	4	8	"InChI=1S/C16H18As2N4O2/c19-15(23)9-21-13-5-1-11(2-6-13)17-18-12-3-7-14(8-4-12)22-10-16(20)24/h1-8,21-22H,9-10H2,(H2,19,23)(H2,20,24)"	C1=CC(=CC=C1NCC(=O)N)[As]=[As]C2=CC=C(C=C2)NCC(=O)N	YCEAIAPPOPKCQR-UHFFFAOYSA-N
DG51610	Antineoplastic-92915	261051	NSC92915; ANTINEOPLASTIC-92915; NSC-92915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92915	.	.	.	.	542.3	C26H20As2N2O2	58.2	574	.	32	2	2	6	"InChI=1S/C26H20As2N2O2/c31-25(19-7-3-1-4-8-19)29-23-15-11-21(12-16-23)27-28-22-13-17-24(18-14-22)30-26(32)20-9-5-2-6-10-20/h1-18H,(H,29,31)(H,30,32)"	C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[As]=[As]C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4	DMJGMSVPSALYGT-UHFFFAOYSA-N
DG51611	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-"	261066	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-; NSC92937; MLS002701942; CHEMBL1718737; 68452-38-0; 11-methylbenzo[a]carbazole-1,4-dione; SCHEMBL21945223; DTXSID70293907; ZINC1603902; BDBM50235876; NSC-92937; 1H-Benzo[a]carbazole-1, 11-methyl-; NCI60_042064; SMR001565525; DS-008635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92937	.	.	.	.	261.269	C17H11NO2	39.1	483	2.9	20	0	2	0	"InChI=1S/C17H11NO2/c1-18-13-5-3-2-4-10(13)11-6-7-12-14(19)8-9-15(20)16(12)17(11)18/h2-9H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O	IUPDQKLAXUTBLE-UHFFFAOYSA-N
DG51612	"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione"	261069	"21355-36-2; 12-methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione; NSC92941; CHEMBL1999564; DTXSID30293908; ZINC4824194; NSC-92941; NCI60_042065; 12-Methyl-12H-naphtho[2,3-a]carbazole-5,13-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92941	.	.	.	.	311.3	C21H13NO2	39.1	558	4.3	24	0	2	0	"InChI=1S/C21H13NO2/c1-22-17-9-5-4-6-12(17)13-10-11-16-18(19(13)22)21(24)15-8-3-2-7-14(15)20(16)23/h2-11H,1H3"	CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O	JJQIATBTHVGNGQ-UHFFFAOYSA-N
DG51613	Acetylstrophanthidin	261075	"Acetylstrophanthidin; Strophanthidin 3-acetate; Strophanthidin acetate; 60-38-8; Acetyl-k-strophanthidine; Erysimupicrone acetate; Acetylstrophanthidine; k-Strophanthidin, acetyl-; acetyl-strophanthidin; 3-ACETYL STROPHANTHIDIN; UNII-JG33H36364; CHEBI:59028; JG33H36364; [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; 3-Acetyl-strophanthidin; 3beta,5,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide 3-acetate; 3beta-acetyloxy-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide; EINECS 200-474-0; NSC 92954; ACETYLTROPHANTHIDIN; Strophanthidin, 3-acetate; STROPHANTIDIN 3-Acetate; MEGxp0_001780; SCHEMBL3414953; CHEMBL1981679; ACon1_000278; 5beta,14-Dihydroxy-19-oxocard-20(22)enolide 3beta-acetate; DTXSID401018935; NSC92954; ZINC3875403; NSC-92954; AKOS024306999; MCULE-4795550652; MCULE-7003052133; NCGC00180716-01; NCI60_042066; BRD-K48492632-001-01-2; Q27126403; WLN: L E5 B666TJ AVH E1 IQ MQ OOV1 F- DT5OV EHJ; 3beta,5,14,19-Tetrahydroxy-5beta-card-20(22)-enolide 19-acetate; 3beta-acetoxy-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide; 5.beta.-Card-20(22)-enolide,5,14-trihydroxy-19-oxo-, 3-acetate; 5-beta-CARD-20(22)-ENOLIDE, 19-OXO-3-beta,5,14-TRIHYDROXY-, 3-ACETATE; 5beta-Card-20(22)-enolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate (8CI); Card-20(22)-enolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	92954	.	.	.	.	446.5	C25H34O7	110	882	1.2	32	2	7	4	"InChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1"	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O	JLZAERUVCODZQO-VWCUIIQSSA-N
DG51614	"4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid"	261126	"4116-42-1; NSC93033; 4-(((2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid; MLS000736948; CHEMBL1594682; 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybenzoic acid; NSC-93033; 4-{[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]amino}-2-hydroxybenzoic acid; NCIStruc1_001407; NCIStruc2_001307; SCHEMBL17274583; DTXSID00293930; NCI93033; ZINC1603961; BDBM50269649; CCG-36664; NCGC00013973; AKOS028108622; SB58805; NCGC00013973-02; NCGC00097082-01; AS-73703; NCI60_042069; SMR000528437; D93177; 4-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]-2-hydroxybenzoic acid; Benzoic acid,4-[[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]amino]-2-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93033	.	.	.	.	305.24	C13H11N3O6	136	532	-0.2	22	4	6	4	"InChI=1S/C13H11N3O6/c17-9-5-7(1-2-8(9)12(20)21)14-11(19)6-16-4-3-10(18)15-13(16)22/h1-5,17H,6H2,(H,14,19)(H,20,21)(H,15,18,22)"	C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O	CSMIMYLGRREXAC-UHFFFAOYSA-N
DG51615	"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline"	261155	"5369-24-4; NSC93077; n-(3,5-dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline; DTXSID40293939; NSC-93077; ZINC104066407; DS-001853; N-(3,5-DIMETHYL-2,4,6-TRINITRO-PHENYL)-3,5-DIMETHYL-2,4,6-TRINITRO-ANILINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93077	.	.	.	.	495.31	C16H13N7O12	287	772	4.4	35	1	13	2	"InChI=1S/C16H13N7O12/c1-5-11(18(24)25)6(2)14(21(30)31)9(13(5)20(28)29)17-10-15(22(32)33)7(3)12(19(26)27)8(4)16(10)23(34)35/h17H,1-4H3"	CC1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]	KLRUMXLUOGELHG-UHFFFAOYSA-N
DG51616	"1,3-Benzodioxol-5-yl-[4-(3-methylphenyl)piperazin-1-yl]methanethione"	261316	MLS002695184; NSC93301; CHEMBL1719889; HMS3087M23; ZINC1604143; NSC-93301; SMR001561096	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93301	.	.	.	.	340.4	C19H20N2O2S	57	453	3.8	24	0	4	2	"InChI=1S/C19H20N2O2S/c1-14-3-2-4-16(11-14)20-7-9-21(10-8-20)19(24)15-5-6-17-18(12-15)23-13-22-17/h2-6,11-12H,7-10,13H2,1H3"	CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4	XIWWLBIRVKQSQX-UHFFFAOYSA-N
DG51617	NSC93354	261360	"(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC93354; MLS000736952; NSC-93354; CHEMBL1997343; ZINC4933920; NCI60_042079"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93354	.	.	.	.	447.6	C28H33NO2S	78.4	790	5.4	32	1	4	2	"InChI=1S/C28H33NO2S/c1-27-13-12-19(30)14-18(27)8-9-20-21-10-11-22(28(21,2)15-24(31)25(20)27)23-16-32-26(29-23)17-6-4-3-5-7-17/h3-7,14,16,20-22,24-25,31H,8-13,15H2,1-2H3/t20-,21-,22+,24-,25+,27-,28-/m0/s1"	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C5=CSC(=N5)C6=CC=CC=C6)C)O	DIDVQQHUMYJCEX-QCZBTCEYSA-N
DG51618	NSC93355	261361	"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid; NSC93355; MLS002695192; NSC-93355; CHEMBL1702169; HMS3087E09; NCI60_042080; SMR001561104; 4-bromobenzenesulfonic acid compound with 11-hydroxy-17-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)androst-4-en-3-one (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93355	.	.	.	.	623.6	C28H35BrN2O5S2	167	892	.	38	3	8	2	"InChI=1S/C22H30N2O2S.C6H5BrO3S/c1-21-8-7-13(25)9-12(21)3-4-14-15-5-6-16(17-11-27-20(23)24-17)22(15,2)10-18(26)19(14)21;7-5-1-3-6(4-2-5)11(8,9)10/h9,11,14-16,18-19,26H,3-8,10H2,1-2H3,(H2,23,24);1-4H,(H,8,9,10)"	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)N)C)O.C1=CC(=CC=C1S(=O)(=O)O)Br	RZIOOCVUORSHLI-UHFFFAOYSA-N
DG51619	"3-Phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide"	261413	"NSC93427; MLS000736953; 3-phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide; NCIOpen2_005987; CHEMBL1389248; HMS2878F05; ZINC1604214; NSC-93427; NSC131468; NSC-131468; SMR000528440; 3-phenyl-4H-pyrrolo[5,1-a]isoquinoline-2-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93427	.	.	.	.	286.3	C19H14N2O	47.5	418	4.3	22	1	1	2	"InChI=1S/C19H14N2O/c20-19(22)16-12-17-15-9-5-4-6-13(15)10-11-21(17)18(16)14-7-2-1-3-8-14/h1-12H,(H2,20,22)"	C1=CC=C(C=C1)C2=C(C=C3N2C=CC4=CC=CC=C43)C(=O)N	UZXDPDNFVGMTNW-UHFFFAOYSA-N
DG51620	"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid"	261550	"5959-79-5; NSC93967; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; 2-(1,3-dioxoisoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-(1H-imidazol-4-yl)propanoic acid; NSC-93967; N-PHTHALOYL-DL-HISTIDINE; ChemDiv3_000196; Oprea1_116929; Oprea1_671979; Oprea1_841455; CBDivE_002610; CHEMBL331687; SCHEMBL6690700; DTXSID50294073; HMS1473I20; 2-(1,3-dioxoisoindol-2-yl)-3-(3H-imidazol-4-yl)propanoic acid; MFCD00023055; STK387462; AKOS000200591; AKOS001061006; AKOS016040283; AKOS016050477; MCULE-4823270662; SDCCGMLS-0065495.P001; IDI1_019514; NCI60_042097; NS-04731; DS-000434; CS-0218153; EN300-00254; 2-phthalimido-3-(imidazol-4-yl)propionic acid; Histidine, .alpha.-phthalimido-.alpha.-desamino-; Z56347460; F0827-0155; 2-(1,3-dioxoisoindolin-2-yl)-3-(1H-imidazol-5-yl)propanoic acid; 1,3-Dihydro-; A-(1H-imidazol-5-ylmethyl)-1,3-dioxo-2H-isoindole-2-acetic acid; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-4-yl)propanoic acid #; 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	93967	.	.	.	.	285.25	C14H11N3O4	103	443	0.7	21	2	5	4	"InChI=1S/C14H11N3O4/c18-12-9-3-1-2-4-10(9)13(19)17(12)11(14(20)21)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,20,21)"	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O	CTUUVOUXZNQMSU-UHFFFAOYSA-N
DG51621	Fastigillin C	261577	FASTIGILLIN C; NSC176507; 6995-12-6; CHEMBL2007366; NSC94036; NSC-94036; NSC-176507; NCI60_001462	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176507	.	.	.	.	360.4	C20H24O6	89.9	743	2.5	26	1	6	3	"InChI=1S/C20H24O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15-18,23H,4H2,1-3,5H3/t10-,12-,15+,16+,17-,18+,20-/m0/s1"	C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@@H]([C@H]3[C@@H]([C@@H]1O)OC(=O)C3=C)OC(=O)C=C(C)C)C	QQEQKSVDPDNRRR-NUYZTHSYSA-N
DG51622	N-methyl-4-(quinolin-5-yldiazenyl)aniline	261763	MLS002695253; NSC94703; NCIOpen2_005799; CHEMBL1712941; HMS3088K03; NSC-94703; ZINC17821229; ZINC102815737; SMR001561160	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94703	.	.	.	.	262.31	C16H14N4	49.6	322	4.4	20	1	4	3	"InChI=1S/C16H14N4/c1-17-12-7-9-13(10-8-12)19-20-16-6-2-5-15-14(16)4-3-11-18-15/h2-11,17H,1H3"	CNC1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3	LJGFJKWOMPUOBR-UHFFFAOYSA-N
DG51623	Demethyltylophorinine	261792	NSC94739; DEMETHYLTYLOPHORININE; CHEMBL1836655; NSC-94739; NCI60_042108	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94739	.	.	.	.	365.4	C22H23NO4	62.2	544	3.3	27	2	5	2	"InChI=1S/C22H23NO4/c1-26-19-9-15-14-8-12(24)5-6-13(14)21-17(16(15)10-20(19)27-2)11-23-7-3-4-18(23)22(21)25/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22-/m0/s1"	COC1=C(C=C2C(=C1)C3=C([C@H]([C@@H]4CCCN4C3)O)C5=C2C=C(C=C5)O)OC	SBVBOLGVLBCFIL-AVRDEDQJSA-N
DG51624	"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol"	261816	"NSC94783; NSC-94783; NCIStruc1_000103; NCIStruc2_000106; CHEMBL1437105; CHEMBL2004709; NCI94783; ZINC3954212; CCG-36234; NCGC00013984; 4-[15-(4-hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol; NCGC00013984-02; NCGC00097093-01; NCI60_042110"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94783	.	.	.	.	681.1	C36H56O4S4	160	605	12.3	44	2	8	4	"InChI=1S/C36H56O4S4/c1-39-33-27-29(19-21-31(33)37)35-41-23-15-11-7-3-5-9-13-17-25-43-36(30-20-22-32(38)34(28-30)40-2)44-26-18-14-10-6-4-8-12-16-24-42-35/h19-22,27-28,35-38H,3-18,23-26H2,1-2H3"	COC1=C(C=CC(=C1)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)C3=CC(=C(C=C3)O)OC)O	HBDTUTAWRQNCDM-UHFFFAOYSA-N
DG51625	N-(4-amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide	261838	NSC94810; NSC-94810; NCIStruc1_001489; NCIStruc2_001723; CHEMBL1358449; NCI94810; ZINC1609949; CCG-37649; NCGC00013985; NCGC00013985-02; NCGC00097094-01; NCI60_042111; N-(4-amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94810	.	.	.	.	422.9	C18H15ClN2O4S2	114	642	3.7	27	1	6	5	"InChI=1S/C18H15ClN2O4S2/c19-17-13-14(20)11-12-18(17)21(26(22,23)15-7-3-1-4-8-15)27(24,25)16-9-5-2-6-10-16/h1-13H,20H2"	C1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)N)Cl)S(=O)(=O)C3=CC=CC=C3	FAYLEAJHBNHJLN-UHFFFAOYSA-N
DG51626	"N,N'-(Methylenedi-p-phenylene)diphthalimide"	261847	"NSC94820; 39673-98-8; N,N'-(Methylenedi-p-phenylene)diphthalimide; NSC-94820; 2,2'-(methylenedi-4,1-phenylene)bis(1h-isoindole-1,3(2h)-dione); 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione; NCIStruc1_001481; NCIStruc2_001610; Oprea1_263301; Oprea1_311846; CBDivE_004068; SCHEMBL9480783; CHEMBL1741993; DTXSID30960289; ZINC625645; NCI94820; 2,2'-[methylenebis(4,1-phenylene)]bis(1H-isoindole-1,3(2H)-dione); CCG-37300; NCGC00013986; NSC 94820; STK049922; AKOS000487511; MCULE-7147045026; NCGC00013986-02; NCGC00097095-01; NCI60_042112; DS-012844; SR-01000432960; SR-01000432960-1; 2,4'-methylenebis(4,1-phenylene))diisoindoline-1,3-dione; 2,2'-(methylenebis(4,1-phenylene))bis(isoindoline-1,3-dione); 2,2'-[Methylenebis(4,1-phenylene)]bis(2H-isoindole-1,3-dione); 2,2'-[Methylenedi(4,1-phenylene)]di(1H-isoindole-1,3(2H)-dione); 2,2'-(methanediyldibenzene-4,1-diyl)bis(1H-isoindole-1,3(2H)-dione); 2-[4-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]methyl]phenyl]isoindoline-1,3-dione; 2-(4-(4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzyl)phenyl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94820	.	.	.	.	458.5	C29H18N2O4	74.8	752	4.9	35	0	4	4	"InChI=1S/C29H18N2O4/c32-26-22-5-1-2-6-23(22)27(33)30(26)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-28(34)24-7-3-4-8-25(24)29(31)35/h1-16H,17H2"	C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O	LFVOAXPHCGOYJJ-UHFFFAOYSA-N
DG51627	Gardenin A	261859	"Gardenin A; Gardenin; 21187-73-5; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; UNII-24J0W87Z43; 5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone; NSC94889; 24J0W87Z43; 5OH3'4'5'6,7,8-hexMeO-Flavone; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one,5-hydroxy-6,7,8- trimethoxy-2-(3,4,5-trimethoxyphenyl)-; 5-Hydroxy-6,7,8-trimethoxy-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; 3',4',5',6,7,8-Hexamethoxy-5-hydroxyflavone; Gardenin (1); gardenin a, AldrichCPR; MLS000863619; BIDD:ER0415; CHEMBL77705; SPECTRUM1505146; MEGxp0_001882; SCHEMBL1764114; ACon1_000048; DTXSID30175417; BDBM153263; HMS2269F21; ZINC1615112; LMPK12111493; MFCD00017419; NSC 94889; NSC-94889; AKOS024286925; Flavone,4',5',6,7,8-hexamethoxy-; MCULE-6990234990; NCGC00096041-01; NCGC00096041-02; NCGC00168844-01; NCI60_042113; SMR000440777; DB-045508; FT-0630469; 5-Hydroxy-6,7,8,3',4',5'-Hexamethoxyflaone; BRD-K78744675-001-01-7; Q27253857; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	94889	.	.	.	.	418.4	C21H22O9	102	610	3.2	30	1	9	7	"InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O	MQBFFYQCZCKSBX-UHFFFAOYSA-N
DG51628	Gitoxoside	261947	"Gitoxoside; Digoxin Impurity B; MLS002701944; 4562-36-1; Anhydrogitalin; Pseudodigitoxin; Bigitalin; Gitoksin; Gitoxim; 3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; NSC95099; NSC-95099; NCI60_042118; SMR001565526; DB-051326; FT-0603661; 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; WLN: L E5 B666TJ A1 E1 GQ IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95099	.	.	.	.	780.9	C41H64O14	203	1450	1.5	55	6	14	7	"InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3"	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O	LKRDZKPBAOKJBT-UHFFFAOYSA-N
DG51629	4-(Tetraphen-7-yl)benzamide	262000	56164-80-8; 4-(tetraphen-7-yl)benzamide; NSC95170; CHEMBL4446687; DTXSID10294211; ZINC1615631; NSC-95170	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95170	.	.	.	.	347.4	C25H17NO	43.1	536	6.1	27	1	1	2	"InChI=1S/C25H17NO/c26-25(27)18-11-9-17(10-12-18)24-21-8-4-2-6-19(21)15-23-20-7-3-1-5-16(20)13-14-22(23)24/h1-15H,(H2,26,27)"	C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)C(=O)N	QNFVYQOCJNWWKQ-UHFFFAOYSA-N
DG51630	[4-(7-acetyloxy-2-methyl-2H-chromen-3-yl)phenyl] acetate	262088	"MLS002695290; 10499-08-8; NSC95381; SCHEMBL2180009; CHEMBL1884162; DTXSID30294233; HMS3079M13; NSC-95381; 4',7-diacetoxy-2-methyl-isoflav-3-ene; SMR001561197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95381	.	.	.	.	338.4	C20H18O5	61.8	532	3.3	25	0	5	5	"InChI=1S/C20H18O5/c1-12-19(15-4-7-17(8-5-15)24-13(2)21)10-16-6-9-18(25-14(3)22)11-20(16)23-12/h4-12H,1-3H3"	CC1C(=CC2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C	DNZGBFXOVKCJMO-UHFFFAOYSA-N
DG51631	"2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione"	262093	"93718-83-3; NSC 95397; 2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione; 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione; NSC-95397; NSC95397; MLS002153403; CHEMBL429095; 2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione; SMR001230781; SR-01000075930; Tocris-1547; Lopac-N-1786; Lopac0_000629; BSPBio_001155; KBioGR_000495; KBioSS_000495; cid_262093; SCHEMBL2530685; CHEBI:93193; KBio2_000495; KBio2_003063; KBio2_005631; KBio3_000909; KBio3_000910; DTXSID10294236; Bio2_000408; Bio2_000888; C14H14O4S2; HMS1362I17; HMS1792I17; HMS1990I17; HMS3261N20; HMS3268C19; HMS3403I17; HMS3412J11; HMS3676J11; BCP32686; ZINC1615742; Tox21_500629; 3685AF; BDBM50208827; EI-309; s6777; AKOS015856811; 1, 2,3-bis[(2-hydroxyethyl)thio]-; CCG-204717; LP00629; SDCCGSBI-0050610.P002; IDI1_002163; NCGC00015729-01; NCGC00015729-02; NCGC00015729-03; NCGC00015729-04; NCGC00015729-05; NCGC00015729-06; NCGC00015729-07; NCGC00015729-08; NCGC00025211-01; NCGC00025211-02; NCGC00025211-03; NCGC00025211-04; NCGC00025211-05; NCGC00261314-01; AS-81945; NCI60_042120; NSC95397; NSC 95397; N1786 (NSC95397); HY-108543; B6784; BB 0237270; CS-0029113; EU-0100629; FT-0677483; NSC 95397, >=97% (HPLC); N 1786; 2,3-bis[(2-Hydroxyethyl)thio]-1,4-naphthoquinone; 2,3-bis[(2-Hydroxyethyl)thiol]-1,4-naphthoquinone; SR-01000075930-1; SR-01000075930-3; SR-01000075930-7; SR-01000075930-8; BRD-K68143200-001-02-6; Q27164911; 2,3-Bis-(2-hydroxy-ethylsulfanyl)-[1,4]naphthoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95397	.	.	.	.	310.4	C14H14O4S2	125	381	1.5	20	2	6	6	"InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO	MAASHDQFQDDECQ-UHFFFAOYSA-N
DG51632	1-benzyl-1H-indole-3-carbaldehyde	262104	"1-benzyl-1H-indole-3-carbaldehyde; 10511-51-0; 1-benzylindole-3-carbaldehyde; 1-Benzylindole-3-carboxaldehyde; 1-Benzyl-3-indolylaldehyde; 1-Benzyl-1H-indole-3-carboxaldehyde; MFCD00022894; NSC95434; 1H-Indole-3-carboxaldehyde,1-(phenylmethyl)-; 1-benzylindol-3-carboxaldehyde; SCHEMBL1418988; CHEMBL1775116; ZINC87953; 1-benzyl-3-indole carboxaldehyde; DTXSID20294242; ALBB-001166; BBL009185; NSC-95434; STK409632; 1-phenylmethyl-indole-3-carboxaldehyde; AKOS000100223; AM10038; MCULE-4957937742; PS-7661; DB-040588; BB 0217312; CS-0116564; FT-0607386; Y6909; EN300-00958; 1h-indole-3-carboxaldehyde, 1-(phenylmethyl)-; D85426; W-204544; F0266-0929"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95434	.	.	.	.	235.28	C16H13NO	22	285	3.1	18	0	1	3	"InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2"	C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O	OXCITQLDOUGVRZ-UHFFFAOYSA-N
DG51633	NSC95609	262184	"2,2,29,29-Tetraoxo-2lambda6,29lambda6-dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecazaheptacyclo[50.2.2.23,6.214,17.225,28.230,33.241,44]hexahexaconta-1(54),3(66),4,6(65),25(62),26,28(61),30,32,52,55,59-dodecaene-8,23,35,50-tetrone; NSC95609; NSC-95609; tetraoxo[ ]tetrone; NCIStruc1_000822; NCIStruc2_000670; CHEMBL2006419; SCHEMBL14286202; NCI95609; CCG-38227; NCGC00013995; NCGC00013995-02; NCGC00097104-01; NCI60_042130; 2,29-dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecaazaheptacyclo[50.2.2.2~3,6~.2~14,17~.2~25,28~.2~30,33~.2~41,44~]hexahexaconta-1(54),3,5,25,27,30,32,52,55,59,61,65-dodecaene-8,23,35,50-tetrone 2,2 ,29,29-tetraoxide; 2,29-Dithia-7,10,14,17,21,24,34,37,41,44,48,51-dodecaazaheptacyclo[50.2.2.2~3,6~.2~14,17~.2~25,28~.2~30,33~.2~41,44~]hexahexaconta-1(54),3,5,25,27,30,32,52,55,59,61,65-dodecaene-8,23,35,50-tetrone 2,2,29,29-tetraoxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95609	.	.	.	.	1057.3	C52H72N12O8S2	263	1670	1.2	74	8	16	0	"InChI=1S/C52H72N12O8S2/c65-49-37-53-21-1-25-61-29-31-62(32-30-61)26-2-22-54-38-50(66)58-42-9-17-47(18-10-42)74(71,72)48-19-11-44(12-20-48)60-52(68)40-56-24-4-28-64-35-33-63(34-36-64)27-3-23-55-39-51(67)59-43-7-15-46(16-8-43)73(69,70)45-13-5-41(57-49)6-14-45/h5-20,53-56H,1-4,21-40H2,(H,57,65)(H,58,66)(H,59,67)(H,60,68)"	C1CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNCCCN4CCN(CCCNCC(=O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC(=O)CNCCCN7CCN(C1)CC7)CC4	FRFGTGFAXBRHNL-UHFFFAOYSA-N
DG51634	2-(Tosyloxy)biphenyl	262324	MLS002695328; NSC95779; 2-(Tosyloxy)biphenyl; SCHEMBL6938234; CHEMBL1707364; HMS3079O21; ZINC1621432; NSC-95779; AKOS008677776; SMR001561234	.	.	Investigative Drug(s)	Investigative	Small molecular drug	95779	.	.	.	.	324.4	C19H16O3S	51.8	454	5	23	0	3	4	"InChI=1S/C19H16O3S/c1-15-11-13-17(14-12-15)23(20,21)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=CC=CC=C3	BHGWQZFJVFVCCQ-UHFFFAOYSA-N
DG51636	4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile	262649	"MLS002703342; 26455-95-8; 1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile; 4-benzoyl-3H-benzo[f]quinoline-3-carbonitrile; NSC96541; SCHEMBL3859175; CHEMBL1704924; DTXSID50294417; NSC-96541; SMR001570064; Benzo[f]quinoline-3-carbonitrile,4-dihydro-; 3-cyano-4-benzoyl-3,4-dihydrobenzo(f)chinoline; 1-(Phenylcarbonyl)-1,2-dihydroazaphenanthrene-2-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96541	.	.	.	.	310.3	C21H14N2O	44.1	553	4.5	24	0	2	1	"InChI=1S/C21H14N2O/c22-14-17-11-12-19-18-9-5-4-6-15(18)10-13-20(19)23(17)21(24)16-7-2-1-3-8-16/h1-13,17H"	C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=CC=CC=C43)C#N	YLUZVASKHQAJAO-UHFFFAOYSA-N
DG51637	2-(Tritylthio)ethanamine	262764	"2-(tritylthio)ethanamine; 1095-85-8; 2-tritylsulfanylethanamine; 2-(tritylsulfanyl)ethanamine; 2-Tritylsulfanyl-ethylamine; S-tritylcysteamine; 2-[(triphenylmethyl)sulfanyl]ethan-1-amine; 2-(Tritylthio)ethanamine,2-[(triphenylmethyl)thio]- Ethanamine; NSC96704; S-Trityl cysteamine; S-Trityl-cysteamine; (S-Trityl)Cysteamine; 2-tritylthioethylamine; (tritylsulfanyl)ethylamine; 2-tritylsulfanylethylamine; 2-(Tritylthio)ethaneamine; H2N-CH2-CH2-STrt; 2-(tritylsulfanyl)ethylamine; SCHEMBL38315; CHEMBL408072; BDBM23802; DTXSID10911219; 2-(tritylsulfanyl)-1-ethaneamine; Ethanamine,2-[(triphenylmethyl)thio]-, hydrochloride (1:1); BAA09585; ZINC4958385; 2-[(Triphenylmethyl)thio]ethylamine; S-triphenylmethyl-2-aminoethanethiol; MFCD00822629; NSC-96704; 2-(triphenylmethylmercapto)-ethylamine; AKOS030214491; S-(triphenylmethyl) 2-aminoethanethiol; Ethanamine, 2-[(triphenylmethyl)thio]-; Triphenylmethyl-containing compound, 31; AS-63757; CS-0156531; D80342; A1-06792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	96704	.	.	.	.	319.5	C21H21NS	51.3	279	4.6	23	1	2	6	"InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN	XZOWICPSVWHCTC-UHFFFAOYSA-N
DG51638	"Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile"	263806	"Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile; 93086-95-4; NSC98481; Spiro[2.6]nonane-1,1,2,2-tetracarbonitrile; UNII-4LTV4EUB33; 4LTV4EUB33; NSC 98481; tetracyanospiro[2.6]nonane; CHEMBL1980403; DTXSID60239258; ZINC1643791; NSC-98481; NCI60_042197"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98481	.	.	.	.	224.26	C13H12N4	95.2	465	2.1	17	0	4	0	"InChI=1S/C13H12N4/c14-7-12(8-15)11(13(12,9-16)10-17)5-3-1-2-4-6-11/h1-6H2"	C1CCCC2(CC1)C(C2(C#N)C#N)(C#N)C#N	OPWBKDAEAXHDSR-UHFFFAOYSA-N
DG51639	"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine"	263983	"13491-71-9; 6-phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine; NSC98710; DTXSID40294921; NSC-98710"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98710	.	.	.	.	290.32	C16H14N6	103	362	2.9	22	2	6	3	"InChI=1S/C16H14N6/c17-15-14(22-21-12-9-5-2-6-10-12)13(19-16(18)20-15)11-7-3-1-4-8-11/h1-10H,(H4,17,18,19,20)"	C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)N=NC3=CC=CC=C3	LLHNBVSNRYDYGX-UHFFFAOYSA-N
DG51640	1-((2-Pyridinylmethyl)thio)acetone	264035	NSC98828; NSC-98828; 1-((2-pyridinylmethyl)thio)acetone; NCIStruc1_000166; NCIStruc2_000180; CHEMBL1330028; NCI98828; ZINC1648616; CCG-36292; NCGC00014024; NCGC00014024-02; NCGC00097133-01; NCI60_042207	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98828	.	.	.	.	181.26	C9H11NOS	55.3	150	1.1	12	0	3	4	"InChI=1S/C9H11NOS/c1-8(11)6-12-7-9-4-2-3-5-10-9/h2-5H,6-7H2,1H3"	CC(=O)CSCC1=CC=CC=N1	HDVYPXHPWJTNAK-UHFFFAOYSA-N
DG51641	2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone	264064	NSC98892; 13896-86-1; NSC-98892; 2-((4-methyl-2-quinolinyl)thio)-1-phenylethanone; NCIStruc1_000693; NCIStruc2_000640; CHEMBL1444652; ZINC76342; DTXSID20294949; NCI98892; CCG-36284; MFCD03459464; NCGC00014025; STK973247; AKOS002382534; MCULE-3450843742; NCGC00014025-02; NCGC00097134-01; NCI60_042210; 2-[(4-methylquinolin-2-yl)sulfanyl]-1-phenylethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98892	.	.	.	.	293.4	C18H15NOS	55.3	353	4.8	21	0	3	4	"InChI=1S/C18H15NOS/c1-13-11-18(19-16-10-6-5-9-15(13)16)21-12-17(20)14-7-3-2-4-8-14/h2-11H,12H2,1H3"	CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=CC=C3	BAELLMKYBZSECI-UHFFFAOYSA-N
DG51642	2-(6-Phenanthridinylthio)-1-phenylethanone	264067	NSC98905; 13896-97-4; NSC-98905; 2-(6-phenanthridinylthio)-1-phenylethanone; NCIStruc1_001451; NCIStruc2_001152; CHEMBL1368286; DTXSID90294951; NCI98905; ZINC1653697; CCG-36585; NCGC00014026; NCGC00014026-02; NCGC00097135-01; NCI60_042212; 2-(phenanthridin-6-ylthio)-1-phenylethanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	98905	.	.	.	.	329.4	C21H15NOS	55.3	434	5.7	24	0	3	4	"InChI=1S/C21H15NOS/c23-20(15-8-2-1-3-9-15)14-24-21-18-12-5-4-10-16(18)17-11-6-7-13-19(17)22-21/h1-13H,14H2"	C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42	QRANKYBGAVSGHQ-UHFFFAOYSA-N
DG51643	(+)-Calycanthine	264115	"(+)-Calycanthine; 595-05-1; 21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene; (1S,2S,10S,11S)-21,24-Dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene; NSC99016; Prestwick_723; Prestwick0_000595; Prestwick1_000595; Prestwick2_000595; Oprea1_287195; 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-; MLS000728639; SPBio_002689; CHEMBL1981354; CHEBI:95133; DTXSID10974900; HMS1569H12; HMS2270J12; LSM-6401; NSC-99016; NCI60_042216; SMR000470815; DB-053402; Q27166918; 13,18-Dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h][2,6]naphthyridine; 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-; 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-; 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99016	.	.	.	.	346.5	C22H26N4	30.5	531	3.9	26	2	4	0	"InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3"	CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C	XSYCDVWYEVUDKQ-UHFFFAOYSA-N
DG51644	7-(Bromomethyl)-2h-chromen-2-one	264119	"7-(bromomethyl)-2h-chromen-2-one; 53878-12-9; NSC99027; 7-bromomethylcoumarin; 7-bromomethy1coumarin; 7-bromomethyl coumarin; 2H-1-Benzopyran-2-one, 7-(bromomethyl)-; NCIMech_000601; NCIOpen2_006425; SCHEMBL2978737; CHEMBL1971402; DTXSID50294972; ZINC1653780; CCG-35527; NSC-99027; 7-bromomethyl-2H-1-benzopyran-2-one; NCI60_042217"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99027	.	.	.	.	239.06	C10H7BrO2	26.3	237	1.9	13	0	2	1	"InChI=1S/C10H7BrO2/c11-6-7-1-2-8-3-4-10(12)13-9(8)5-7/h1-5H,6H2"	C1=CC(=CC2=C1C=CC(=O)O2)CBr	PIRJLYFMCACMRZ-UHFFFAOYSA-N
DG51645	"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	264143	"30866-86-5; NSC99060; CHEMBL2006992; DTXSID50294977; NSC-99060; ZINC73369622; 1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99060	.	.	.	.	454.4	C25H29BrNP	12	421	7.7	28	1	1	5	"InChI=1S/C25H29BrNP/c26-28(23-16-8-3-9-17-23,24-18-10-4-11-19-24,25-20-12-5-13-21-25)27-22-14-6-1-2-7-15-22/h3-5,8-13,16-22,27H,1-2,6-7,14-15H2"	C1CCCC(CC1)NP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br	PMTRLHZAJQQSTL-UHFFFAOYSA-N
DG51646	"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate"	264162	"NSC99087; CHEMBL1979600; NSC-99087; ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate; Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-7-yl)propanoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	99087	.	.	.	.	324.29	C13H16N4O6	129	653	-1.7	23	2	7	5	"InChI=1S/C13H16N4O6/c1-4-23-12(21)6(5-18)7-10(19)15-8-9(14-7)16(2)13(22)17(3)11(8)20/h6,18H,4-5H2,1-3H3,(H,15,19)"	CCOC(=O)C(CO)C1=NC2=C(C(=O)N(C(=O)N2C)C)NC1=O	FVUORAMBNOOBRH-UHFFFAOYSA-N
DG51647	NSC100046	264743	"[(1R,6S,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 2-methylprop-2-enoate; NSC100046"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100046	.	.	.	.	360.4	C19H20O7	91.4	779	0.7	26	0	7	3	"InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15 ,19 /m0/s1"	CC(=C)C(=O)O[C@H]1CC2=C[C@@H](CC3(C(O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O	WIQOUTANBFOBPB-WILRRUMQSA-N
DG51648	"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine"	264884	"MLS002703534; 20371-00-0; NSC100279; n,n-dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine; NCIOpen2_006664; CHEMBL66909; DTXSID80942530; NSC-100279; SMR001570251"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100279	.	.	.	.	294.31	C13H18N4O4	104	372	-0.5	21	3	7	3	"InChI=1S/C13H18N4O4/c1-16(2)11-7-3-4-17(12(7)15-6-14-11)13-10(20)9(19)8(5-18)21-13/h3-4,6,8-10,13,18-20H,5H2,1-2H3"	CN(C)C1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O	CYLYFNNDWSNWPM-UHFFFAOYSA-N
DG51649	Doxypyrromycin hydrochloride	264889	NSC100290; Doxypyrromycin hydrochloride; NSC-100290	.	.	Investigative Drug(s)	Investigative	Small molecular drug	100290	.	.	.	.	606.1	C30H36ClNO10	163	1020	.	42	5	11	6	"InChI=1S/C30H35NO10.ClH/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32;/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3;1H/t13 ,17 ,19 ,20 ,24-,25 ,30+;/m1./s1"	CC[C@@]1(CC(C2=C(C3=C(C=C2[C@@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O.Cl	KTSRCTOUNGGQEI-XBLNTETQSA-N
DG51650	Withaferin A	265237	"Withaferin A; 5119-48-2; Withaferine A; NSC 273757; UNII-L6DO3QW4K5; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; NSC101088; L6DO3QW4K5; NSC-101088; Ashwagandha; CHEBI:69120; 4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide; (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; (6S,7R,9R)-6-Hydroxy-15-[(2R,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one; (4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; BRN 1335150; 5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)-; Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-; 5-19-06-00604 (Beilstein Handbook Reference); MLS006010687; SCHEMBL157208; CHEMBL517080; 5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide; DTXSID10965459; Withaferin A, analytical standard; Withaferin A, >=95% (HPLC); HY-N2065; ZINC8234189; MFCD10687098; NSC273757; s8587; NSC-273757; NCGC00180796-02; (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone; 5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-; AS-77575; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-; NCI60_000031; SMR004701668; B7199; CS-0018562; Withaferin A 100 microg/mL in Acetonitrile; C08841; A871350; A1-06845; Q6606395; BRD-K88378636-001-01-0; 4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; WLN: T3 F5 E666 1A R AXO OV PU CH&TTTTJ J1 N1 RQ IY1&- FT6OV CUTJ C1Q D1; 5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)- (8CI); Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-; NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101088	.	.	.	.	470.6	C28H38O6	96.4	999	3.8	34	2	6	3	"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO	DBRXOUCRJQVYJQ-CKNDUULBSA-N
DG51651	2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid	265452	"18471-76-6; Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylidene]-; Benzoic acid, 2-[[[4-[bis(2-chloroethyl)amino]phenyl]methylene]amino]-; Anthranilic acid, N-(p-(bis(2-chloroethyl)amino)benzylidene)-; Benzoic acid, 2-(((4-(bis(2-chloroethyl)amino)phenyl)methylene)amino)-; 2-{[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid; NSC101492; SCHEMBL3949968; CHEMBL1980154; DTXSID70295360; ZINC1667957; ZINC100372337; NSC-101492; NCI60_000044; 2-[((E)-(4-[Bis(2-chloroethyl)amino]phenyl)methylidene)amino]benzoic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101492	.	.	.	.	365.2	C18H18Cl2N2O2	52.9	406	4.1	24	1	4	8	"InChI=1S/C18H18Cl2N2O2/c19-9-11-22(12-10-20)15-7-5-14(6-8-15)13-21-17-4-2-1-3-16(17)18(23)24/h1-8,13H,9-12H2,(H,23,24)"	C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)N(CCCl)CCCl	MJQQQKFACWBDPW-UHFFFAOYSA-N
DG51652	"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione"	265521	NSC101643; NCIOpen2_006753; ZINC1668090; NSC-101643	.	.	Investigative Drug(s)	Investigative	Small molecular drug	101643	.	.	.	.	297.2	C15H14Cl2O2	34.1	437	4.4	19	0	2	3	"InChI=1S/C15H14Cl2O2/c1-15(2,17)8-7-11-12(16)14(19)10-6-4-3-5-9(10)13(11)18/h3-6H,7-8H2,1-2H3"	CC(C)(CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)Cl	MVFPWJMGSMYFJF-UHFFFAOYSA-N
DG51653	"2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one"	265724	"2-(3,4-Dimethoxyphenyl)-3-hydroxy-7-methoxy-4H-chromen-4-one; 58544-90-4; NSC102057; UNII-F9J53MVN3M; NSC-102057; F9J53MVN3M; CHEMBL77198; Fisetin 7,3',4'-trimethyl ether; NSC 102057; DTXSID40207258; ZINC1674582; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-; BDBM50064895; LMPK12111570; 3-Hydroxy-3',4',7-trimethoxyflavone; NCI60_000058; DS-005352; 2-(3,4-Dimethoxy-phenyl)-3-hydroxy-7-methoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chromen-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102057	.	.	.	.	328.3	C18H16O6	74.2	502	2.9	24	1	6	4	"InChI=1S/C18H16O6/c1-21-11-5-6-12-14(9-11)24-18(17(20)16(12)19)10-4-7-13(22-2)15(8-10)23-3/h4-9,20H,1-3H3"	COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)O	KSAJVJYHNOORPX-UHFFFAOYSA-N
DG51654	"Indeno[1,2-c]isochromene-5,11-dione"	265728	"Indeno[1,2-c]isochromene-5,11-dione; 5651-60-5; Benz[d]indeno[1,2-b]pyran-5,11-dione; Indeno(1,2-c)isochromene-5,11-dione; UNII-UPC5E8CVE7; NSC102064; UPC5E8CVE7; Benz(d)indeno(1,2-b)pyran-5,11-dione; NSC 102064; CHEMBL342436; SCHEMBL1308829; DTXSID80205056; HMS1608H18; ZINC154776; BBL028370; STK801831; 6-Oxa-benzo[a]fluorene-5,11-dione; AKOS000520750; MCULE-5284551847; NSC-102064; NCI60_000059; VS-08743; benz[d]indeno[1,2-b]pyran-5, 11-dione; indeno[1,2-c][2]benzopyran-5,11-dione; Indeno[1,2-c]isochromene-5,11-dione #; DS-009727; CS-0319825; EU-0002476; 5H,11H-indeno[1,2-c]isochromene-5,11-dione; A831240; SR-01000408142; SR-01000408142-1; BRD-K67380883-001-01-1; BENZ(D)INDENO(1,2-B)PYRAN-5,11-DIONE, 98 %"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102064	.	.	.	.	248.23	C16H8O3	43.4	476	2.8	19	0	3	0	InChI=1S/C16H8O3/c17-14-10-6-2-3-7-11(10)15-13(14)9-5-1-4-8-12(9)16(18)19-15/h1-8H	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O	HVRWJPNEHHBGGY-UHFFFAOYSA-N
DG51655	"6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	265730	"5291-18-9; SU9AHM9WJW; UNII-SU9AHM9WJW; NSC102067; NSC 102067; 6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-Methyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-methylindeno[1,2-c]isoquinoline-5,11-dione; NCIOpen2_007022; CHEMBL399022; SCHEMBL16312476; DTXSID50200957; ZINC1674589; STL523936; 6H-Indeno[1,11-dione, 6-methyl-; AKOS030486282; NSC-102067; NCI60_000060; DS-005935; {6H-Indeno[1,2-c]isoquinoline-5,11-dione,} 6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102067	.	.	.	.	261.269	C17H11NO2	37.4	507	2.4	20	0	2	0	"InChI=1S/C17H11NO2/c1-18-15-11-7-3-4-8-12(11)16(19)14(15)10-6-2-5-9-13(10)17(18)20/h2-9H,1H3"	CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	JUNQOARPKFNFHS-UHFFFAOYSA-N
DG51656	"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione"	265731	"15315-18-1; 6-(2-aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione; NSC102068; CHEMBL1970411; DTXSID10295460; ZINC1674590; NSC-102068; NCI60_000061"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102068	.	.	.	.	338.4	C22H14N2O2	63.4	655	3.3	26	1	3	1	"InChI=1S/C22H14N2O2/c23-17-11-5-6-12-18(17)24-20-14-8-2-3-9-15(14)21(25)19(20)13-7-1-4-10-16(13)22(24)26/h1-12H,23H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=CC=C5N	RFRQLHAASBLMJW-UHFFFAOYSA-N
DG51657	"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione"	265940	"MLS000737237; SMR000528477; 22295-47-2; NSC-102742; 2-chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione; NSC102742; cid_265940; CHEMBL1519374; BDBM50640; DTXSID40295534; HMS2853B11; ZINC4822288; SR-01000761005; SR-01000761005-2; 2-chloro-3-(1H-indazol-6-ylamino)-1,4-naphthoquinone; 2-((1H-Indazol-6-yl)amino)-3-chloronaphthalene-1,4-dione; 2-[(1H-Indazol-6-yl)amino]-3-chloro-1,4-naphthoquinone; 2-chloranyl-3-(1H-indazol-6-ylamino)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102742	.	.	.	.	323.7	C17H10ClN3O2	74.8	562	3.7	23	2	4	2	"InChI=1S/C17H10ClN3O2/c18-14-15(17(23)12-4-2-1-3-11(12)16(14)22)20-10-6-5-9-8-19-21-13(9)7-10/h1-8,20H,(H,19,21)"	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4	NYOUWELKHWCYQM-UHFFFAOYSA-N
DG51658	"D-Arabinose, 5-O-trityl-tribenzoate"	265952	"13090-77-2; U 22265; DTXSID30926961; NSC102810; NSC-102810; D-ARABINOSE, 5-O-TRITYL-TRIBENZOATE; U-22265; 2,3,4-Tri-O-benzoyl-5-O-(triphenylmethyl)pentose"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102810	.	.	.	.	704.8	C45H36O8	105	1090	9.1	53	0	8	18	"InChI=1S/C45H36O8/c46-31-39(51-42(47)33-19-7-1-8-20-33)41(53-44(49)35-23-11-3-12-24-35)40(52-43(48)34-21-9-2-10-22-34)32-50-45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-31,39-41H,32H2"	C1=CC=C(C=C1)C(=O)OC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C(C=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6	BBRNKMTYXKXVBD-UHFFFAOYSA-N
DG51659	"1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-beta-D-ribofuranosyl-"	265953	"NSC102811; Neuro_000046; CHEMBL273712; SCHEMBL14074914; NSC-102811; NCI60_000075; 1H-Pyrazolo[4, 7-amino-3-.beta.-D-ribofuranosyl-; D-Ribitol,3-d]pyrimidin-3-yl)- 1,4-anhydro-, (S)-; 1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-.beta.-D-ribofuranosyl-; 7-Amino-3-.beta.-D-ribofuranosyl-1H-pyrazolo(4,3-d)pyrimidine; 1-(7-Amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydropentitol #; D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102811	.	.	.	.	267.24	C10H13N5O4	150	335	-2.2	19	5	8	2	"InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)"	C1=NC2=C(NN=C2C(=N1)N)C3C(C(C(O3)CO)O)O	KBHMEHLJSZMEMI-UHFFFAOYSA-N
DG51660	"1-(1,3-Dithiolan-2-yl)-4-trityloxybutane-2,3-diol"	265955	U 20043; CHEMBL1999770; NSC102814; NSC-102814; NCI60_000076; U-20043	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102814	.	.	.	.	452.6	C26H28O3S2	100	461	5.1	31	2	5	9	"InChI=1S/C26H28O3S2/c27-23(18-25-30-16-17-31-25)24(28)19-29-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-25,27-28H,16-19H2"	C1CSC(S1)CC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O	JFUBQIQBWASUOK-UHFFFAOYSA-N
DG51661	7-O-Methyl-epi-nogalarol	265956	NSC102815; 7-O-Methyl-epi-nogalarol; CHEMBL449934	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102815	.	.	.	.	599.6	C30H33NO12	193	1170	0.9	43	5	13	4	"InChI=1S/C30H33NO12/c1-29(39)9-14(40-5)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-13(32)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,14,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t14-,19-,20-,24-,26+,28+,29+,30+/m0/s1"	C[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O5)O6)O)N(C)C)O)C)O)OC)O	HXCSJGHKDZKLKV-RLBMZFTPSA-N
DG51662	NSC102817	265957	"[(1R,3R,10R,11S)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate; NSC102817"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	102817	.	.	.	.	374.4	C20H22O7	91.4	803	1	27	0	7	3	"InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16 ,17 ,20+/m0/s1"	CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C(O3)C4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C	HSTUUCOYVIWGLJ-HIXZCNEVSA-N
DG51663	Phenyl 4-chloro-3-nitrobenzenesulfonate	266121	phenyl 4-chloro-3-nitrobenzenesulfonate; MLS002703767; 43001-57-6; NSC103231; SCHEMBL7179842; CHEMBL1729943; DTXSID10295602; ZINC1680255; AKOS024332302; MCULE-6940316361; NSC-103231; 2-nitro-4-phenoxysulfonylchloro-benzene; Phenyl 4-chloro-3-nitrobenzene sulfonate; SMR001570482; 3-nitro-4-chloro-benzene-sulfonic acid-phenylester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103231	.	.	.	.	313.71	C12H8ClNO5S	97.6	438	3.5	20	0	5	3	"InChI=1S/C12H8ClNO5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H"	C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]	DXNLDBASBALMSX-UHFFFAOYSA-N
DG51664	"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone"	266393	NSC103870; CHEMBL1972605; NSC-103870; NCI60_000095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	103870	.	.	.	.	507.6	C36H29NO2	37.4	735	7.6	39	0	3	7	"InChI=1S/C36H29NO2/c38-35(28-20-10-3-11-21-28)31-32(36(39)29-22-12-4-13-23-29)34(27-18-8-2-9-19-27)37(30-24-14-5-15-25-30)33(31)26-16-6-1-7-17-26/h1-25,31-34H"	C1=CC=C(C=C1)C2C(C(C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6	NYGBDPCHPYMGDG-UHFFFAOYSA-N
DG51665	Deoxycamptothecin	266552	"Deoxycamptothecin; Camptothecin-OH; NSC105132; SCHEMBL5803262; CHEMBL1975782; NSC-105132; NCI60_000126; 4-ethyl-1,12-dihydro-14h-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4h)-dione; 4-Ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105132	.	.	.	.	332.4	C20H16N2O3	59.5	695	1.8	25	0	4	1	"InChI=1S/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3"	CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2	PEZXVOHRDBYBFR-UHFFFAOYSA-N
DG51666	"2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone"	266625	"NSC105348; MLS000737246; 7000-47-7; NSC-105348; 2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone; NCIStruc1_001495; NCIStruc2_001038; CHEMBL1321660; DTXSID90295761; HMS2885L04; ZINC1686467; CCG-36602; NCGC00014071; NCI105348; NCGC00014071-02; NCGC00097180-01; NCI60_000127; SMR000528483"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105348	.	.	.	.	329.8	C18H16ClNO3	51.3	419	3.9	23	1	3	5	"InChI=1S/C18H16ClNO3/c1-22-17-8-11(14(19)9-18(17)23-2)7-16(21)13-10-20-15-6-4-3-5-12(13)15/h3-6,8-10,20H,7H2,1-2H3"	COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC	ODTNOZBHVIUBQB-UHFFFAOYSA-N
DG51667	"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile"	266698	"NSC105444; MLS002703823; NSC-105444; NCIStruc1_001337; NCIStruc2_001078; CHEMBL1742085; ZINC1686516; CCG-37439; NCGC00014073; NCI105444; 1-((4'-((1-cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile; NCGC00014073-02; NCGC00097182-01; NCI60_000129; SMR001570537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105444	.	.	.	.	370.5	C24H26N4	71.6	554	5.2	28	2	4	5	"InChI=1S/C24H26N4/c25-17-23(13-1-2-14-23)27-21-9-5-19(6-10-21)20-7-11-22(12-8-20)28-24(18-26)15-3-4-16-24/h5-12,27-28H,1-4,13-16H2"	C1CCC(C1)(C#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4(CCCC4)C#N	DBCCRWIMQOCVFV-UHFFFAOYSA-N
DG51668	6-Bromochroman-2-one	266737	"6-bromochroman-2-one; 20921-00-0; 6-bromo-3,4-dihydrochromen-2-one; 6-bromo-2-chromanone; MLS002703831; 2H-1-Benzopyran-2-one, 6-bromo-3,4-dihydro-; MFCD13659375; 6-bromo-3,4-dihydro-2H-1-benzopyran-2-one; NSC105509; 6-bromo-2chromanone; 6-Bromo-chroman-2-one; NCIOpen2_007193; 6-bromo-3,4-dihydrocoumarin; SCHEMBL4596158; CHEMBL1870498; DTXSID30295780; BUTTPARK 35\\07-34; ZINC4962205; 0692AB; AKOS016005930; CS-W000845; LS40054; NSC-105509; SB35265; BC004269; DA-36403; DS-15230; NCI60_000131; SMR001570545; SY108538; DB-007136; FT-0742311; Y10639"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105509	.	.	.	.	227.05	C9H7BrO2	26.3	193	2.3	12	0	2	0	"InChI=1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2"	C1CC(=O)OC2=C1C=C(C=C2)Br	FFZQWUVOIMYRKC-UHFFFAOYSA-N
DG51669	"6-(gamma,gamma-Dimethylallylamino)purine riboside"	266767	"N6-2-Isopentenyladenosine; Dimethylallyladenosine; NSC105546; N6-(.DELTA.2-Isopentenyl)adenosine; SQ 22,558; Isopentenyl adenine riboside; 6-(.gamma.,.gamma.-Dimethylallylamino)purine riboside; N-(3-Methyl-2-butenyl)adenosine; 9.beta.-D-Ribofuranosyl-9H-purine, N-(3-methyl-2-butenylamino)-; SQ 22558; ZK 20 242; MFCD00005741; SCHEMBL4600; 6-N-[(3-Methyl-2-butenyl)amino]-9.beta.-D-ribofuranosylpurine; 6-N-[(3-Methyl-2-butenyl)amino]-9-.beta.-D-ribofuranosyl-9H-purine; SB19217; SY077310; 6-(3,3-Dimethylallylamino)purine riboside; DB-056195; FT-0636577; 33156-15-9; 6-(3,3-Dimethylallylamino)-9-(beta-D-ribofuranosyl)purine; WLN: T56 BN DN FN HNJ IM2UY1&1 D- BT5OTJ CQ DQ E1Q; {6-N-[(3-Methyl-2-butenyl)amino]-9.beta.-D-ribofuranosylpurine}; {6-N-[(3-Methyl-2-butenyl)amino]-9-.beta.-D-ribofuranosyl-9H-purine}; 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]tetrahydrofuran-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105546	.	.	.	.	335.36	C15H21N5O4	126	461	1.1	24	4	8	5	"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)"	CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C	USVMJSALORZVDV-UHFFFAOYSA-N
DG51670	"4-(hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	266770	"NSC105550; NSC-105550; NCIStruc1_000735; NCIStruc2_000886; CHEMBL1358359; ZINC3954259; CCG-36264; NCGC00014075; NCI105550; NCGC00014075-02; NCGC00097184-01; NCI60_000134; 4-(hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105550	.	.	.	.	259.18	C10H5N5O4	125	436	0.7	19	1	6	1	"InChI=1S/C10H5N5O4/c16-8-5-2-1-3-6(15(18)19)7(5)9(17)14(8)10-11-4-12-13-10/h1-4H,(H,11,12,13)"	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=NN3	BHQONEZYXUINHI-UHFFFAOYSA-N
DG51671	"6-Amino-7-bromo-5,8-quinolinedione"	266923	"14173-81-0; NSC105808; 6-Amino-7-bromo-5,8-quinolinedione; 6-amino-7-bromoquinoline-5,8-dione; MLS002701955; SMR001565537; NSC 105808; 5,8-Quinolinedione,6-amino-7-bromo-; 5, 6-amino-7-bromo-; NCIMech_000605; cid_266923; SCHEMBL2599174; CHEMBL1735482; BDBM80755; DTXSID90161816; ZINC1868226; CCG-35504; 6-amino-7-bromo-quinoline-5,8-dione; NSC-105808; 6-amino-7-bromo-quinoline-5,8-quinone; 6-azanyl-7-bromanyl-quinoline-5,8-dione; NCI60_000141; DS-005624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105808	.	.	.	.	253.05	C9H5BrN2O2	73	338	1.1	14	1	4	0	"InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2"	C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1	XZBBOHUCBTXJQY-UHFFFAOYSA-N
DG51672	"4-Dibenzo[b,d]thien-2-yl-4-oxobutanoic acid"	266944	"NSC105900; MLS002703854; 88878-79-9; NSC-105900; 4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid; NCIStruc1_000817; NCIStruc2_000881; SCHEMBL7823639; CHEMBL1440219; DTXSID10295864; ZINC393138; CCG-36262; NCGC00014079; NCI105900; AKOS024331808; MCULE-3149151093; NCGC00014079-02; NCGC00097188-01; NCI60_000143; SMR001570568; DS-005323"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	105900	.	.	.	.	284.3	C16H12O3S	82.6	395	3.4	20	1	4	4	"InChI=1S/C16H12O3S/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19)"	C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)CCC(=O)O	UBCRYOFHBJOPSS-UHFFFAOYSA-N
DG51673	"N-(1,3,7-tribromo-9H-fluoren-2-yl)acetamide"	267219	MLS002703908; NSC106360; CHEMBL1701928; ZINC1692046; NSC-106360; SMR001570621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106360	.	.	.	.	460	C15H10Br3NO	29.1	391	4.8	20	1	1	1	"InChI=1S/C15H10Br3NO/c1-7(20)19-15-13(17)6-11-10-3-2-9(16)4-8(10)5-12(11)14(15)18/h2-4,6H,5H2,1H3,(H,19,20)"	CC(=O)NC1=C(C=C2C(=C1Br)CC3=C2C=CC(=C3)Br)Br	IRQURCHUNXLBRB-UHFFFAOYSA-N
DG51674	"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	267286	"MLS002703917; 22359-31-5; SMR001570630; 2-chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione; NSC106442; cid_267286; CHEMBL1734152; BDBM80080; DTXSID50295944; NSC-106442; SR-01000880398; SR-01000880398-2; 2-chloro-3-(3,5-dimethylmorpholino)-1,4-naphthoquinone; 2-chloro-3-(3,5-dimethyl-4-morpholinyl)naphthalene-1,4-dione; 2-chloranyl-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106442	.	.	.	.	305.75	C16H16ClNO3	46.6	492	3.1	21	0	4	1	"InChI=1S/C16H16ClNO3/c1-9-7-21-8-10(2)18(9)14-13(17)15(19)11-5-3-4-6-12(11)16(14)20/h3-6,9-10H,7-8H2,1-2H3"	CC1COCC(N1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C	JGYJREAOLDRIGO-UHFFFAOYSA-N
DG51675	"2,5-Dipyridin-2-yl-1,3,4-thiadiazole"	267294	"MLS000737262; 2,5-dipyridin-2-yl-1,3,4-thiadiazole; 2726-92-3; SMR000444347; 2,5-bis(2-pyridyl)-1,3,4-thiadiazole; NSC106461; cid_267294; SCHEMBL1424929; CHEMBL1400881; DTXSID10295945; BDBM114773; HMS2781A14; ZINC1697077; 2,5-dipyridyl-[1,3,4]thiadiazole; NSC-106461; 2,5-Di(2-pyridyl)-1,3,4-thiadiazole; 2,5-bis(2-pyridinyl)-1,3,4-thiadiazole; CS-0243662; 2-[5-(PYRIDIN-2-YL)-1,3,4-THIADIAZOL-2-YL]PYRIDINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106461	.	.	.	.	240.29	C12H8N4S	79.8	227	1.6	17	0	5	2	InChI=1S/C12H8N4S/c1-3-7-13-9(5-1)11-15-16-12(17-11)10-6-2-4-8-14-10/h1-8H	C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3	BGORQFGAWSNEBU-UHFFFAOYSA-N
DG51676	"1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea"	267343	"15145-42-3; 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea; NSC106531; CHEMBL1972803; DTXSID00295959; Urea,4-dichlorophenyl)-1-nitroso-; ZINC4963076; NSC-106531; NCI60_000154"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106531	.	.	.	.	296.5	C9H8Cl3N3O2	61.8	280	3.9	17	1	3	3	"InChI=1S/C9H8Cl3N3O2/c10-3-4-15(14-17)9(16)13-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H,13,16)"	C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl	NCLKIDZGWJFIDA-UHFFFAOYSA-N
DG51677	3-{[Hexopyranosyl-(1->3)pentopyranosyl-(1->2)pentopyranosyl-(1->2)pentopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid	267361	25480-74-4; CHEMBL1997088; DTXSID10948368; NSC106554; NSC-106554; 3-{[hexopyranosyl-(1->3)pentopyranosyl-(1->2)pentopyranosyl-(1->2)pentopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid; NCI60_000156	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106554	.	.	.	.	1031.2	C51H82O21	334	1990	0.7	72	12	21	10	"InChI=1S/C51H82O21/c1-46(2)14-15-51(45(63)64)23(16-46)22-8-9-29-48(5)12-11-31(47(3,4)28(48)10-13-49(29,6)50(22,7)17-30(51)56)69-43-39(32(57)24(53)19-66-43)72-44-40(33(58)25(54)20-67-44)71-41-37(62)38(26(55)21-65-41)70-42-36(61)35(60)34(59)27(18-52)68-42/h8,23-44,52-62H,9-21H2,1-7H3,(H,63,64)"	CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C	ZMEIKTTXONUYNX-UHFFFAOYSA-N
DG51678	"Urea, 1,1-bis(2-bromoethyl)-3-(1-naphthyl)-"	267555	"1,1-Bis(2-bromoethyl)-3-(1-naphthyl)urea; Urea, 1,1-bis(2-bromoethyl)-3-(1-naphthyl)-; 102434-11-7; NSC106907; CHEMBL1989199; DTXSID00145142; ZINC1698083; NSC-106907"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106907	.	.	.	.	400.11	C15H16Br2N2O	32.299	308	3.2	20	1	1	5	"InChI=1S/C15H16Br2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,20)"	C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr	HVUKGCFZISLAKF-UHFFFAOYSA-N
DG51679	NSC106909	267557	"(8R,9S,13S,14S)-3-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one; 22966-82-1; NSC106909; SCHEMBL2682703; DTXSID80945667; NSC-106909; 3-{[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy}estra-1(10),2,4-trien-17-one; Estra-1,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl]oxy]-; Estra-1,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-s-triazin-2-yl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	106909	.	.	.	.	431.5	C25H29N5O2	71	737	3.9	32	0	7	4	"InChI=1S/C25H29N5O2/c1-25-9-8-18-17-5-3-16(14-15(17)2-4-19(18)20(25)6-7-21(25)31)32-24-27-22(29-10-11-29)26-23(28-24)30-12-13-30/h3,5,14,18-20H,2,4,6-13H2,1H3/t18-,19-,20+,25+/m1/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)N6CC6)N7CC7	JCBUOSRYPMXDEE-PUFAWVJESA-N
DG51680	"4-[(6-Methoxypyridazin-3-yl)amino]naphthalene-1,2-dione"	267581	"25107-70-4; 4-[(6-methoxypyridazin-3-yl)amino]naphthalene-1,2-dione; NSC107043; CHEMBL1975022; DTXSID10296018; ZINC1698116; NSC-107043; NCI60_000170; 4-[6-Methoxypyridazinyl-3-amino]-1,2-naphthoquinone; 4-[(4-Methoxy-3-pyridazinyl)amino]-1,2-naphthalenedione #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107043	.	.	.	.	281.27	C15H11N3O3	81.2	463	1.3	21	1	6	3	"InChI=1S/C15H11N3O3/c1-21-14-7-6-13(17-18-14)16-11-8-12(19)15(20)10-5-3-2-4-9(10)11/h2-8H,1H3,(H,16,17)"	COC1=NN=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32	QQLHEWWXBASUQZ-UHFFFAOYSA-N
DG51681	3-Hydroxycard-20(22)-enolide	267603	5672-23-1; 3-hydroxycard-20(22)-enolide; NSC107129; DTXSID90972166; NSC-107129	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107129	.	.	.	.	358.5	C23H34O3	46.5	639	5	26	1	3	1	"InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h11,15-20,24H,3-10,12-13H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)O	SNNJOYYRZHOKFM-UHFFFAOYSA-N
DG51682	Virosecurinine	267769	"Allosecurinin; Virosecurinine; 884-68-4; Phyllochrysine; 1857-30-3; Allosecurinine; 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one; Securinin; Securinan-11-one; 8H-6,11b-Methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one,9,10,11,11a-tetrahydro-, (6S,11aS,11bS)-; Viroallosecurinine; NSC107414; NSC107415; Securinine, (-)-; 2-Allosecurinine; Securan-11-one; 2-Allosecurinine (8CI); Allasecurinine; NSC107413; (7beta,9beta)securinan-11-one; NSC-107413; Securinan-11-one, (2.alpha.)-; Securinan-11-one, (7beta,9beta)-; NSC 107415; Oprea1_546685; CHEMBL1965517; SCHEMBL15426160; CHEBI:181210; HMS1607C11; HMS3373F18; NSC326131; AKOS015960902; MCULE-1313869504; NSC 326131; NSC-107414; NSC-107415; NSC-326131; Securinan-11-one, (2alpha)- (9CI); AC-12486; NCI60_000177; NCI60_000178; NCI60_000179; XA176463; FT-0776207; BRD-A08521080-001-01-5; 14-oxa-7-azatetracyclo[6.6.1.0 ,  .0 , ]pentadeca-9,11-dien-13-one; Benzofurano[7a,7,6-a,b]indolisin-2(1H)-one, 5a,7,8,9,10,10a,10b,11-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107413	.	.	.	.	217.26	C13H15NO2	29.5	426	1.1	16	0	3	0	"InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2"	C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4	SWZMSZQQJRKFBP-UHFFFAOYSA-N
DG51683	Solypertine tartrate	267773	"Solypertine tartrate; UNII-LGH2D06D4K; 5591-43-5; NSC107432; LGH2D06D4K; Solypertine tartrate [USAN]; WIN 18,413-2; Solypertine tartrate (USAN); WIN 18413-2; MLS002703972; NSC-107432; 1-(2-Anisyl)-4-(2-(5,6-methylenedioxy-3-indolyl)ethyl)piperazine d-tartrate; NSC 107432; Solypertine d-tartrate; SCHEMBL612896; 7-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-5H-1,3-dioxolo(4,5-f)indole tartrate; (2R,3R)-2,3-dihydroxybutanedioic acid; 7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole; 7-(2-(4-(o-Methoxyphenyl)-1-piperazinyl)ethyl)-5H-1,3-dioxolo-(4,5-f)-indole tartrate (1:1); D05880; Q27282972; WLN: T C565 DO FO LN EHJ L2- AT6N DNTJ DR BO1 &QVYQYQVQ; 7-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,5-f]indole tartrate; 5H-1,3-Dioxolo(4,5-f)indole, 7-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, tartrate; 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl-,tartrate; 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, tartrate; 5H-1,5-f]indole, 7-[2-[4-(o-methoxyphenyl)-1-piperazinyl]ethyl]-, tartrate (1:1); 7-[2-[4-(o-Methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,5-f]indole tartrate (1:1); 2,3-dihydroxybutanedioic acid;7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole; 5H-1,3-Dioxolo(4,5-f)indole, 7-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); 5H-1,5-f]indole, 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1); Butanedioic acid, 2,3-dihydroxy-, (2R,3R)-, compd. with 7-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-5H-1,3-dioxolo[4,5-f]indole (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	107432	.	.	.	.	529.5	C26H31N3O9	165	647	.	38	5	11	8	"InChI=1S/C22H25N3O3.C4H6O6/c1-26-20-5-3-2-4-19(20)25-10-8-24(9-11-25)7-6-16-14-23-18-13-22-21(12-17(16)18)27-15-28-22;5-1(3(7)8)2(6)4(9)10/h2-5,12-14,23H,6-11,15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1"	COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	FDYHSJCNTRLQCR-LREBCSMRSA-N
DG51684	6-Oxochelidonine	268004	"6-Oxochelidonine; 548-10-7; 12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one; 14-Chelidoninone; EINECS 208-942-6; NSC108018; CHEMBL1978291; DTXSID90970142; NSC-108018; NCI60_000191"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	108018	.	.	.	.	367.4	C20H17NO6	77.5	630	1.8	27	1	6	0	"InChI=1S/C20H17NO6/c1-21-18-11-6-15-14(25-7-26-15)5-9(11)4-12(22)16(18)10-2-3-13-19(27-8-24-13)17(10)20(21)23/h2-3,5-6,12,16,18,22H,4,7-8H2,1H3"	CN1C2C(C(CC3=CC4=C(C=C23)OCO4)O)C5=C(C1=O)C6=C(C=C5)OCO6	UPVAYLMWVRMHNE-UHFFFAOYSA-N
DG51685	2-[2-(Aziridin-1-yl)ethoxy]quinoline	268715	MLS000766228; NSC109084; CHEMBL1301114; ZINC1701199; NSC-109084; SMR000528844	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109084	.	.	.	.	214.26	C13H14N2O	25.1	230	1.9	16	0	3	4	"InChI=1S/C13H14N2O/c1-2-4-12-11(3-1)5-6-13(14-12)16-10-9-15-7-8-15/h1-6H,7-10H2"	C1CN1CCOC2=NC3=CC=CC=C3C=C2	AREVUFJFOXNHIR-UHFFFAOYSA-N
DG51686	NSC109128	268745	"[17-Acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate; NSC109128; MLS002704125; 19459-60-0; NSC-109128; CHEMBL1704443; SCHEMBL20149729; DTXSID80296404; [17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate; NCI60_000213; SMR001570831; 16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109128	.	.	.	.	415.6	C25H37NO4	63.4	775	3.1	30	0	5	4	"InChI=1S/C25H37NO4/c1-14(27)23-21(26-9-10-26)12-20-18-6-5-16-11-17(30-15(2)28)7-8-24(16,3)19(18)13-22(29)25(20,23)4/h16-21,23H,5-13H2,1-4H3"	CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5	WRCFYFRXAYMSAE-UHFFFAOYSA-N
DG51687	NSC109131	268748	"10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; NSC109131; MLS002701958; 21170-27-4; 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione; CHEMBL1714096; DTXSID10943499; NCI60_000214; SMR001565539; 21-(6-(methylthio)-9H-purin-9-yl)pregn-4-ene-3,20-dione; 10,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109131	.	.	.	.	478.7	C27H34N4O2S	103	894	4.3	34	0	6	4	"InChI=1S/C27H34N4O2S/c1-26-10-8-17(32)12-16(26)4-5-18-19-6-7-21(27(19,2)11-9-20(18)26)22(33)13-31-15-30-23-24(31)28-14-29-25(23)34-3/h12,14-15,18-21H,4-11,13H2,1-3H3"	CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C	ROIIRSXXBFLNGZ-UHFFFAOYSA-N
DG51688	2-[(Tert-butylamino)-phenylmethyl]-1-phenylprop-2-en-1-one	268761	MLS002704133; 7204-42-4; NSC109155; CHEMBL1723350; DTXSID90296410; NSC-109155; SMR001570839	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109155	.	.	.	.	293.4	C20H23NO	29.1	381	4.3	22	1	2	6	"InChI=1S/C20H23NO/c1-15(19(22)17-13-9-6-10-14-17)18(21-20(2,3)4)16-11-7-5-8-12-16/h5-14,18,21H,1H2,2-4H3"	CC(C)(C)NC(C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2	UNCAQULQGYCEFW-UHFFFAOYSA-N
DG51689	"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone"	268806	"NSC109248; NSC-109248; NCIStruc1_001379; NCIStruc2_001026; CHEMBL1373954; 1-(3-((dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone; CCG-36587; NCGC00014103; NCI109248; ZINC31670202; NCGC00014103-02; NCGC00097212-01; NCI60_000218"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109248	.	.	.	.	345.5	C21H31NO3	60.8	411	4.9	25	2	4	5	"InChI=1S/C21H31NO3/c1-15(23)18-12-13-20(24)19(21(18)25)14-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-13,16-17,24-25H,2-11,14H2,1H3"	CC(=O)C1=C(C(=C(C=C1)O)CN(C2CCCCC2)C3CCCCC3)O	NGJJEZVCTSGDRK-UHFFFAOYSA-N
DG51690	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine"	268812	"67857-76-5; NSC109254; n,n-bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine; DTXSID00296421; ZINC31670205; NSC-109254; DS-002147; N,N-BIS[(4-CHLOROPHENYL)SULFANYLMETHYL]-2,4,4-TRIMETHYL-PENTAN-2-AMINE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109254	.	.	.	.	442.5	C22H29Cl2NS2	53.8	397	8.8	27	0	3	9	"InChI=1S/C22H29Cl2NS2/c1-21(2,3)14-22(4,5)25(15-26-19-10-6-17(23)7-11-19)16-27-20-12-8-18(24)9-13-20/h6-13H,14-16H2,1-5H3"	CC(C)(C)CC(C)(C)N(CSC1=CC=C(C=C1)Cl)CSC2=CC=C(C=C2)Cl	VGEPVMWVSYKROM-UHFFFAOYSA-N
DG51691	2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline	268954	NSC109451; Bis(2-chloro-4-methyl-6-quinolyl)methane; MLS000737693; NSC-109451; 500349-71-3; NCIStruc1_001523; NCIStruc2_001146; CHEMBL1328109; SCHEMBL14286188; HMS2884F05; ZINC1701460; AC9642; CCG-36966; MFCD32632533; NCGC00014105; NCI109451; 2-chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline; NCGC00014105-02; NCGC00097214-01; NCI60_000227; SMR000528505; SY251353	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109451	.	.	.	.	367.3	C21H16Cl2N2	25.8	419	7	25	0	2	2	"InChI=1S/C21H16Cl2N2/c1-12-7-20(22)24-18-5-3-14(10-16(12)18)9-15-4-6-19-17(11-15)13(2)8-21(23)25-19/h3-8,10-11H,9H2,1-2H3"	CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)Cl)Cl	RVHRUJSUMLKIHE-UHFFFAOYSA-N
DG51692	"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol"	268993	"NSC109509; MLS002701960; 72-37-7; NSC-109509; CHEMBL1713367; DTXSID10992684; MCULE-8970035389; NCI60_000230; SMR001565541; 17-(1-((2-(dimethylamino)ethyl)amino)ethyl)estra-1,3,5(10)-trien-3-ol; 20-{[2-(Dimethylamino)ethyl]amino}-19-norpregna-1(10),2,4-trien-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109509	.	.	.	.	370.6	C24H38N2O	35.5	509	5.2	27	2	3	5	"InChI=1S/C24H38N2O/c1-16(25-13-14-26(3)4)22-9-10-23-21-7-5-17-15-18(27)6-8-19(17)20(21)11-12-24(22,23)2/h6,8,15-16,20-23,25,27H,5,7,9-14H2,1-4H3"	CC(C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NCCN(C)C	OQLPSYJNZRYLOQ-UHFFFAOYSA-N
DG51693	"3-((1,3-benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one"	269048	"NSC109593; NSC-109593; NCIStruc1_001430; NCIStruc2_000996; CHEMBL1362657; CHEMBL1965651; 3-((1,3-benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one; CCG-36656; NCGC00014109; NCI109593; ZINC18086586; ZINC100136967; NCGC00014109-02; NCGC00097218-01; NCI60_000232"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	109593	.	.	.	.	343.3	C21H13NO4	57.1	564	4.2	26	0	5	2	"InChI=1S/C21H13NO4/c23-21-17-4-2-1-3-15(17)16-7-6-14(10-19(16)26-21)22-11-13-5-8-18-20(9-13)25-12-24-18/h1-11H,12H2"	C1OC2=C(O1)C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4	VQEBKHUPMSDMKM-UHFFFAOYSA-N
DG51694	"2-(Dodecylsulfanyl)-1,4-benzoquinone"	269320	"2-(dodecylsulfanyl)-1,4-benzoquinone; 2-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione; 55034-75-8; NSC110101; SCHEMBL8933181; DTXSID50296592; 2-(Dodecylthio)-1,4-benzoquinone; 2-(dodecylthio)benzo-1,4-quinone; ZINC1702723; MCULE-6713066050; NSC-110101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110101	.	.	.	.	308.5	C18H28O2S	59.4	383	6.3	21	0	3	12	"InChI=1S/C18H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-16(19)12-13-17(18)20/h12-13,15H,2-11,14H2,1H3"	CCCCCCCCCCCCSC1=CC(=O)C=CC1=O	RIINWLSYFUDXFV-UHFFFAOYSA-N
DG51695	4-Methylquinazolin-2-amine	269325	"4-methylquinazolin-2-amine; 6141-02-2; 4-methyl-2-quinazolinamine; NSC110275; 2-AMINO-4-METHYLQUINAZOLINE; CHEMBL1441434; NSC-110275; methyl-[amino]quinazoline; NCIStruc1_000219; NCIStruc2_000138; Oprea1_804244; SCHEMBL377227; 2-Quinazolinamine, 4-methyl-; DTXSID10296593; ZINC548469; 9205AB; BDBM50241663; CCG-37993; MFCD03164950; NCGC00014114; NCI110275; STK023736; AKOS005379039; MCULE-1133037834; NCGC00014114-02; NCGC00097223-01; NCI60_000243; DB-072951; FT-0766157"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	110275	.	.	.	.	159.19	C9H9N3	51.8	160	1.7	12	1	3	0	"InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3,(H2,10,11,12)"	CC1=NC(=NC2=CC=CC=C12)N	RWDYNDCLJPWKJU-UHFFFAOYSA-N
DG51696	"7-amino-5-imino-1H-quinoline-2,8-dione"	269624	NSC111041; CHEMBL1985550; CHEMBL4470500; NSC-111041; NCIMech_000263; SCHEMBL18266877; SCHEMBL23483668; BDBM50279937; BDBM50518351; CCG-35342; NCI60_000252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111041	.	.	.	.	189.17	C9H7N3O2	96	455	-0.7	14	3	4	0	"InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3,10H,11H2,(H,12,13)"	C1=CC(=O)NC2=C1C(=N)C=C(C2=O)N	ANVZLQYKEGNGGD-UHFFFAOYSA-N
DG51697	Bis(4-chlorophenyl) carbonotrithioate	269665	NSC111118; MLS000737716; 24455-29-6; bis(4-chlorophenyl) carbonotrithioate; SCHEMBL9542565; CHEMBL1527310; DTXSID40296708; ZINC1703109; NSC-111118; SMR000444401; Trithiocarbonic acid bis(4-chlorophenyl) ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111118	.	.	.	.	331.3	C13H8Cl2S3	82.7	243	6.6	18	0	3	4	InChI=1S/C13H8Cl2S3/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8H	C1=CC(=CC=C1SC(=S)SC2=CC=C(C=C2)Cl)Cl	GUUHSHAWOOMFMF-UHFFFAOYSA-N
DG51698	"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester"	269666	"NSC111119; 82235-61-8; 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester; NCIMech_000367; CHEMBL1979979; DTXSID00296709; ZINC1703110; CCG-35506; NSC-111119; NCI60_000254; DS-004108; 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester; 2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111119	.	.	.	.	278.26	C14H14O6	71.1	416	2.3	20	0	6	5	"InChI=1S/C14H14O6/c1-4-19-13(15)10-7-9-11(18-3)5-8(17-2)6-12(9)20-14(10)16/h5-7H,4H2,1-3H3"	CCOC(=O)C1=CC2=C(C=C(C=C2OC)OC)OC1=O	ASYOKKGAMBQUSB-UHFFFAOYSA-N
DG51699	"4-(4-Diethylamino-O-tolylimino)-1,4-dihydro-4'-ME-sulfonyl-1-oxonaphthanilide"	269678	"NSC111135; ZINC17860780; AKOS024429188; ZINC104087371; ZINC254402225; MCULE-3134661840; NSC-111135; 4-(4-DIETHYLAMINO-O-TOLYLIMINO)-1,4-DIHYDRO-4'-ME-SULFONYL-1-OXONAPHTHANILIDE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111135	.	.	.	.	515.6	C29H29N3O4S	104	1000	4.8	37	1	6	7	"InChI=1S/C29H29N3O4S/c1-5-32(6-2)21-13-16-26(19(3)17-21)31-27-18-25(28(33)24-10-8-7-9-23(24)27)29(34)30-20-11-14-22(15-12-20)37(4,35)36/h7-18H,5-6H2,1-4H3,(H,30,34)"	CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C	KSNPXYUZNGIFGX-UHFFFAOYSA-N
DG51700	"1H-Indole-2,3-dione,3-[2-(2-pyridinyl)hydrazone]"	269887	"MLS002706413; 20144-03-0; NSC111580; CBDivE_010867; CHEMBL1717805; CHEMBL1982906; DTXSID90419041; ZINC7993885; MCULE-3782897128; NSC-111580; NCI60_000258; SMR001573820; DS-002931; SR-01000195631; SR-01000195631-1; 1H-INDOLE-2,3-DIONE,3-[2-(2-PYRIDINYL)HYDRAZONE]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111580	.	.	.	.	238.24	C13H10N4O	73.6	309	3.1	18	2	4	2	"InChI=1S/C13H10N4O/c18-13-12(9-5-1-2-6-10(9)15-13)17-16-11-7-3-4-8-14-11/h1-8,15,18H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=N3	RAKUQDIILFQMQB-UHFFFAOYSA-N
DG51701	4-(1-Adamantylsulfonyl)aniline	269930	68748-86-7; 4-(1-adamantylsulfonyl)aniline; NSC111650; CHEMBL1997081; DTXSID80296808; ZINC4824014; NSC-111650	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111650	.	.	.	.	291.4	C16H21NO2S	68.5	444	3.2	20	1	3	2	"InChI=1S/C16H21NO2S/c17-14-1-3-15(4-2-14)20(18,19)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2"	C1C2CC3CC1CC(C2)(C3)S(=O)(=O)C4=CC=C(C=C4)N	DKRQODSPBOIAOG-UHFFFAOYSA-N
DG51702	"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline"	269934	"56714-88-6; 4-(tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline; NSC111654; CHEMBL1998672; SCHEMBL11447125; DTXSID10296811; ZINC4824016; NSC-111654"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111654	.	.	.	.	259.399	C16H21NS	51.3	278	4.4	18	1	2	2	"InChI=1S/C16H21NS/c17-14-1-3-15(4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2"	C1C2CC3CC1CC(C2)(C3)SC4=CC=C(C=C4)N	HPAYYLFYRXTNJK-UHFFFAOYSA-N
DG51703	"3-(hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol"	269951	"NSC111702; 51112-62-0; 3-(hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol; NSC-111702; CHEMBL1998204; DTXSID50296815; 3-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)-1,4-dioxane-2,6-diol; NCI60_000261; DS-004610; A7588; N-Methyl(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine; p-Dioxane-2-methanol,5-dihydroxy-6-[6-(methylthio)-9H-purin-9-yl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	111702	.	.	.	.	314.32	C11H14N4O5S	148	368	0.2	21	3	9	3	"InChI=1S/C11H14N4O5S/c1-21-8-6-7(12-3-13-8)15(4-14-6)9-11(18)20-10(17)5(2-16)19-9/h3-5,9-11,16-18H,2H2,1H3"	CSC1=NC=NC2=C1N=CN2C3C(OC(C(O3)CO)O)O	PWMJKSRDVJZIRU-UHFFFAOYSA-N
DG51704	16-[(Aziridin-1-yl)methyl]-17-oxoandrost-5-en-3-yl acetate	270053	10475-00-0; DTXSID40909169; NSC112147; NSC-112147; 16-[(Aziridin-1-yl)methyl]-17-oxoandrost-5-en-3-yl acetate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112147	.	.	.	.	385.5	C24H35NO3	46.4	725	3.7	28	0	4	4	"InChI=1S/C24H35NO3/c1-15(26)28-18-6-8-23(2)17(13-18)4-5-19-20(23)7-9-24(3)21(19)12-16(22(24)27)14-25-10-11-25/h4,16,18-21H,5-14H2,1-3H3"	CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4=O)CN5CC5)C)C	CJUKMDBJDPZAEN-UHFFFAOYSA-N
DG51705	Cucurbitacin K	270061	"Cucurbitacin K; 6766-43-4; NSC112166; 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione; 2,16,20,24,25-pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione; CHEMBL1984707; DTXSID20987026; 2,16-Dihydroxy-4,4,9,14-tetramethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl)estra-1,5-diene-3,11-dione; NSC-112166; NCI60_000265; 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxo-hexyl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112166	.	.	.	.	532.7	C30H44O8	152	1150	1.8	38	5	8	5	"InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3"	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C	FBGLZDYMEULGSX-UHFFFAOYSA-N
DG51706	"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione"	270077	"NSC-112200; CHEMBL1566105; CCG-37932; NCGC00014118; NCI112200; NCGC00014118-02; NCGC00097227-01; NCI60_000267; 2,5-dibromo-3,6-dimethylbenzo-1,4-quinone compound with 2,5-dibromo-3,6-dimethyl-1,4-benzenediol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112200	.	.	.	.	589.9	C16H14Br4O4	74.6	450	.	24	2	4	0	"InChI=1S/C8H8Br2O2.C8H6Br2O2/c2*1-3-5(9)8(12)4(2)6(10)7(3)11/h11-12H,1-2H3;1-2H3"	CC1=C(C(=C(C(=C1Br)O)C)Br)O.CC1=C(C(=O)C(=C(C1=O)Br)C)Br	QPUPISPNAHNDHB-UHFFFAOYSA-N
DG51707	4-Chloro-2-((3-quinolinylimino)methyl)phenol	270355	NSC112751; NSC-112751; NCIStruc1_000803; NCIStruc2_000762; CHEMBL1356348; CHEMBL2002918; ZINC1703799; CCG-36325; NCGC00014126; NCI112751; ZINC13099274; NCGC00014126-02; NCGC00097235-01; NCI60_000280; 4-chloro-2-((3-quinolinylimino)methyl)phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112751	.	.	.	.	282.72	C16H11ClN2O	45.5	349	3.8	20	1	3	2	"InChI=1S/C16H11ClN2O/c17-13-5-6-16(20)12(7-13)9-18-14-8-11-3-1-2-4-15(11)19-10-14/h1-10,20H"	C1=CC=C2C(=C1)C=C(C=N2)N=CC3=C(C=CC(=C3)Cl)O	APAGHSCPGGGDFZ-UHFFFAOYSA-N
DG51708	1-Benzyl-2-(benzyloxy)imidazolidine	270389	NSC112796; NSC-112796; 1-benzyl-2-(benzyloxy)imidazolidine; CHEMBL1984655; NCI60_000284	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112796	.	.	.	.	268.35	C17H20N2O	24.5	272	2.7	20	1	3	5	"InChI=1S/C17H20N2O/c1-3-7-15(8-4-1)13-19-12-11-18-17(19)20-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2"	C1CN(C(N1)OCC2=CC=CC=C2)CC3=CC=CC=C3	WFGMVJBYUYKXKC-UHFFFAOYSA-N
DG51709	"4,4,4-Triphenylbutanoic acid"	270495	"4,4,4-triphenylbutanoic acid; 16778-09-9; Benzenebutanoic acid, g,g-diphenyl-; NSC112938; SCHEMBL5329346; CHEMBL2002466; DTXSID10296977; ZINC4995018; NSC-112938; NCI60_000291; DS-010104"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	112938	.	.	.	.	316.4	C22H20O2	37.3	339	5.2	24	1	2	6	"InChI=1S/C22H20O2/c23-21(24)16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)"	C1=CC=C(C=C1)C(CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3	UGHIPOMCWKJUAO-UHFFFAOYSA-N
DG51710	"Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-"	270614	"NSC113112; CHEMBL1986729; ZINC73334938; NSC-113112; NCI60_000294; Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113112	.	.	.	.	281.29	C12H20N5OP	60.9	392	1.1	19	1	6	4	"InChI=1S/C12H20N5OP/c1-11(2)8-16(11)19(18,17-9-12(17,3)4)15-10-13-6-5-7-14-10/h5-7H,8-9H2,1-4H3,(H,13,14,15,18)"	CC1(CN1P(=O)(NC2=NC=CC=N2)N3CC3(C)C)C	FVCNRTJRLGEWKB-UHFFFAOYSA-N
DG51711	"Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-"	270636	"15422-13-6; NSC113220; p-(4,6-Diamino-1,2-dihydro-2,2-dimethyl-s-triazin-1-yl)phenylpropionylsulfanilyl fluoride; Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-; 4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)benzene-1-sulfonyl fluoride; NSC 113220; Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-; CHEMBL95838; DTXSID90165571; ZINC43300606; SB73454; Sulfanilyl fluoride, N-(p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamoyl)-; 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; 4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)benzene-1-sulfonylfluoride; Sulfanilyl fluoride, N-[p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamoyl]- (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113220	.	.	.	.	446.5	C20H23FN6O3S	152	822	1.3	31	3	5	6	"InChI=1S/C20H23FN6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-8-3-13(4-9-15)5-12-17(28)24-14-6-10-16(11-7-14)31(21,29)30/h3-4,6-11H,5,12H2,1-2H3,(H,24,28)(H4,22,23,25,26)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	IQHXPLJJDASOCX-UHFFFAOYSA-N
DG51712	"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	270723	"17089-14-4; NSC113452; NSC-113452; 3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione; NSC 113452; DTXSID60937848; ZINC4878614; 2-[3-(4-cycloheptylphenyl)propyl]-3-hydroxy-naphthalene-1,4-dione; 2-[3-(4-Cycloheptylphenyl)propyl]-3-hydroxynaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113452	.	.	.	.	388.5	C26H28O3	54.4	618	6.7	29	1	3	5	"InChI=1S/C26H28O3/c27-24-21-11-5-6-12-22(21)25(28)26(29)23(24)13-7-8-18-14-16-20(17-15-18)19-9-3-1-2-4-10-19/h5-6,11-12,14-17,19,27H,1-4,7-10,13H2"	C1CCCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O	AXNYBYBGUREGTC-UHFFFAOYSA-N
DG51713	"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	270725	"NSC113455; 18100-17-9; NSC-113455; 3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione; NSC 113455; CHEMBL561356; DTXSID80939400; ZINC8627321; DS-004539; 2-[3-(4-cyclohexylphenyl)propyl]-3-hydroxy-naphthalene-1,4-dione; 2-[3-(4-Cyclohexylphenyl)propyl]-3-hydroxynaphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113455	.	.	.	.	374.5	C25H26O3	54.4	605	6.2	28	1	3	5	"InChI=1S/C25H26O3/c26-23-20-10-4-5-11-21(20)24(27)25(28)22(23)12-6-7-17-13-15-19(16-14-17)18-8-2-1-3-9-18/h4-5,10-11,13-16,18,26H,1-3,6-9,12H2"	C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O	ZGXOROLZOSNLNM-UHFFFAOYSA-N
DG51714	"2-Phenyl-2,3-dihydroquinazolin-4(1h)-one"	270800	"2-phenyl-2,3-dihydroquinazolin-4(1h)-one; 954-91-6; 2-Phenyl-2,3-dihydro-1H-quinazolin-4-one; MLS002701965; CHEMBL129312; Maybridge4_001349; Oprea1_282527; U 32027; SCHEMBL5248973; DTXSID90297068; HMS1524N07; BDBM50106307; CCG-41700; NSC113764; STL223282; AKOS000678754; AKOS021983049; MCULE-3304994690; NSC-113764; IDI1_031931; NCI60_000304; SMR001477626; CS-0349452; 2-Phenyl-4-oxo-1,2,3,4-tetrahydroquinazoline; U-32027; SR-01000631757-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113764	.	.	.	.	224.26	C14H12N2O	41.1	286	2.6	17	2	2	1	"InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)"	C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2	BIVGFFFLVZMILM-UHFFFAOYSA-N
DG51715	2-(4-Chlorophenyl)-1-hydroxyindole-3-carbonitrile	270811	MLS002706540; NSC113802; CHEMBL1870941; ZINC1704296; NSC-113802; SMR001573944	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113802	.	.	.	.	268.7	C15H9ClN2O	49	372	4.1	19	1	2	1	"InChI=1S/C15H9ClN2O/c16-11-7-5-10(6-8-11)15-13(9-17)12-3-1-2-4-14(12)18(15)19/h1-8,19H"	C1=CC=C2C(=C1)C(=C(N2O)C3=CC=C(C=C3)Cl)C#N	NUBJHMUYDQLJDY-UHFFFAOYSA-N
DG51716	"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid"	270820	"NSC113908; 19160-24-8; DTXSID60297075; NSC-113908; 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid; 1-[((3-Fluorosulfonylphenylaminocarbonyl)ethylene)phen-4-yl]-4,6-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113908	.	.	.	.	556.6	C22H29FN6O6S2	214	936	.	37	4	8	7	"InChI=1S/C20H23FN6O3S.C2H6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-9-6-13(7-10-15)8-11-17(28)24-14-4-3-5-16(12-14)31(21,29)30;1-2-6(3,4)5/h3-7,9-10,12H,8,11H2,1-2H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C	UEWHSOJEWFZEHY-UHFFFAOYSA-N
DG51717	"4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride"	270832	"19160-25-9; NSC113918; DTXSID50940801; NSC-113918; DS-014787; 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride; Ethanesulfonic acid--4-{4-[4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]butanamido}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113918	.	.	.	.	570.7	C23H31FN6O6S2	214	943	.	38	4	8	8	"InChI=1S/C21H25FN6O3S.C2H6O3S/c1-21(2)27-19(23)26-20(24)28(21)16-10-6-14(7-11-16)4-3-5-18(29)25-15-8-12-17(13-9-15)32(22,30)31;1-2-6(3,4)5/h6-13H,3-5H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	VVUOPZCCHACXLH-UHFFFAOYSA-N
DG51718	"4-Amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide"	270853	"MLS002703002; 20201-56-3; NSC113943; CHEMBL1698730; DTXSID60942275; NSC-113943; SMR001566811; 4-Amino-6-bromo-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid; 4-Amino-6-bromo-7-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113943	.	.	.	.	388.17	C12H14BrN5O5	170	473	-1.4	23	5	8	3	"InChI=1S/C12H14BrN5O5/c13-8-4(10(15)22)5-9(14)16-2-17-11(5)18(8)12-7(21)6(20)3(1-19)23-12/h2-3,6-7,12,19-21H,1H2,(H2,15,22)(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C(=O)N)N	DMXIHKQKBYZIHM-UHFFFAOYSA-N
DG51719	6-Bromotoyocamycin	270861	"6-Bromotoyocamycin; MLS002703003; 20201-55-2; 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile; SMR001566812; NSC113951; 4-amino-6-bromo-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; CHEMBL16482; cid_270861; BDBM97027; DTXSID00942274; NSC-113951; 4-amino-6-bromo-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 4-amino-6-bromo-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile; 4-azanyl-6-bromanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	113951	.	.	.	.	370.16	C12H12BrN5O4	150	476	-0.6	22	4	8	2	"InChI=1S/C12H12BrN5O4/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C#N)N	VGLVPHRWFSFJJL-UHFFFAOYSA-N
DG51720	"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline"	270883	"23018-25-9; 5,11-dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline; NSC114016; CHEMBL2002119; DTXSID40945704; ZINC1704351; NSC-114016"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114016	.	.	.	.	253.34	C17H19NO	25.5	380	3.7	19	0	2	0	"InChI=1S/C17H19NO/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h9H,3-8H2,1-2H3"	CC1=C2CCN=CC2=C(C3=C1OC4=C3CCCC4)C	YWWVOUMWNWHVST-UHFFFAOYSA-N
DG51721	diethyl 2-acetamido-2-[[6-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate	270973	NSC114346; ZINC4824435; NSC-114346	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114346	.	.	.	.	449.5	C22H31N3O7	141	621	1	32	4	8	14	"InChI=1S/C22H31N3O7/c1-4-31-20(29)22(24-15(3)28,21(30)32-5-2)13-16-14-23-19-12-17(6-7-18(16)19)25(8-10-26)9-11-27/h6-7,12,14,23,26-27H,4-5,8-11,13H2,1-3H3,(H,24,28)"	CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)N(CCO)CCO)(C(=O)OCC)NC(=O)C	FSVLSJQLRXIMDS-UHFFFAOYSA-N
DG51722	"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide"	271001	"NSC114381; NSC-114381; 39150-44-2; NCIStruc1_001432; NCIStruc2_001647; CHEMBL1611413; CCG-37265; NCGC00014141; NCI114381; ZINC22910149; 3,5-dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide; ZINC100136863; NCGC00014141-02; NCGC00097250-01; NCI60_000322; DS-004653; 3,5-dibromo-4-((8-hydroxy-5-quinolinyl)diazenyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114381	.	.	.	.	486.1	C15H10Br2N4O3S	126	588	3.6	25	2	7	3	"InChI=1S/C15H10Br2N4O3S/c16-10-6-8(25(18,23)24)7-11(17)15(10)21-20-12-3-4-13(22)14-9(12)2-1-5-19-14/h1-7,22H,(H2,18,23,24)"	C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=C(C=C(C=C3Br)S(=O)(=O)N)Br	LYDXIMLSHYTFLA-UHFFFAOYSA-N
DG51723	2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid	271298	NSC114766; NSC-114766; CHEMBL1993458; 2-(((aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid; NCI60_000336	.	.	Investigative Drug(s)	Investigative	Small molecular drug	114766	.	.	.	.	214.22	C9H14N2O4	110	290	0.4	15	3	4	2	"InChI=1S/C9H14N2O4/c10-9(15)11-7(12)5-3-1-2-4-6(5)8(13)14/h5-6H,1-4H2,(H,13,14)(H3,10,11,12,15)"	C1CCC(C(C1)C(=O)NC(=O)N)C(=O)O	MWBBAOUJSUEBDM-UHFFFAOYSA-N
DG51724	"3,4-Dimethylpyrazolo[5,1-c][1,2,4]triazine"	271622	"3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine; 6726-49-4; 3,4-dimethyl-pyrazolo[5,1-c][1,2,4]triazine; NSC115526; 3,2-c]-as-triazine; Pyrazolo[5, 3,4-dimethyl-; CHEMBL3274762; DTXSID50297322; ZINC1705111; NSC-115526; 3,4-dimethylpyrazolo(3,2-c)-as-triazine; Pyrazolo[5,2,4]triazine, 3,4-dimethyl-; 3,4-Dimethylpyrazolo[5,1-c]-1,2,4-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115526	.	.	.	.	148.17	C7H8N4	43.1	149	0.1	11	0	3	0	"InChI=1S/C7H8N4/c1-5-6(2)11-7(10-9-5)3-4-8-11/h3-4H,1-2H3"	CC1=C(N2C(=CC=N2)N=N1)C	JHCGJBGPFZGLDQ-UHFFFAOYSA-N
DG51725	"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one"	271691	"13220-44-5; 3-(4-nitrobenzyl)-1,3-dihydro-2h-indol-2-one; NSC115618; CHEMBL1981394; 2H-Indol-2-one,1,3-dihydro-3-[(4-nitrophenyl)methyl]-; DTXSID80297335; NSC-115618; NCI60_000352; DS-004136"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115618	.	.	.	.	268.27	C15H12N2O3	74.9	385	2.6	20	1	3	2	"InChI=1S/C15H12N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-8,13H,9H2,(H,16,18)"	C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-]	YIKKMLSHYFGMKC-UHFFFAOYSA-N
DG51726	((3-(2-aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid	271694	NSC115625; 319-71-1; NSC-115625; NCIStruc1_000888; NCIStruc2_000807; CHEMBL1562337; DTXSID40297336; ZINC1705197; CCG-38148; NCGC00014156; NCI115625; NCGC00014156-02; NCGC00097265-01; NCI60_000353; ((3-(2-aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115625	.	.	.	.	248.23	C12H12N2O4	105	334	-2	18	3	5	5	"InChI=1S/C12H12N2O4/c13-4-3-7-6-14-10-2-1-8(5-9(7)10)18-12(17)11(15)16/h1-2,5-6,14H,3-4,13H2,(H,15,16)"	C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN	YJKHKDHQOGQYPB-UHFFFAOYSA-N
DG51727	"Tubercidin 3', 5'-cyclic phosphate sesquihydrate"	271768	"NSC115712; TUBERCIDIN 3', 5'-CYCLIC PHOSPHATE SESQUIHYDRATE; 16719-36-1; Tubericidin 3',5'-phosphate; CHEMBL1965287; DTXSID10937292; NSC-115712; 6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol; NCI60_000354; 6-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one; 7H-Pyrrolo[2, 4-amino-7-.beta.-D-ribofuranosyl-, cyclic 3',5'-(hydrogen phosphate), sesquihydrate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115712	.	.	.	.	328.22	C11H13N4O6P	142	497	-2	22	3	9	1	"InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)"	C1C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)OP(=O)(O1)O	LCYHXWIEMRESTK-UHFFFAOYSA-N
DG51728	"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol"	271872	NSC115855; CHEMBL1971632; NSC-115855; NCI60_000358	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115855	.	.	.	.	415.4	C19H17N3O8	178	490	.	30	2	8	0	"InChI=1S/C13H14.C6H3N3O8/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h4-8H,1-3H3;1,10-11H"	CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]	AHJJMWHYRGXIEJ-UHFFFAOYSA-N
DG51729	Quinolin-8-ol; xanthen-9-one	271897	NSC115892; quinolin-8-ol; xanthen-9-one; CHEMBL2004912; NSC-115892; NCI60_000360; 9H-Xanthen-9-one compound with 8-quinolinol (1:1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115892	.	.	.	.	341.4	C22H15NO3	59.4	375	.	26	1	4	0	"InChI=1S/C13H8O2.C9H7NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-8H;1-6,11H"	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC2=C(C(=C1)O)N=CC=C2	MJVAASXECGMNAR-UHFFFAOYSA-N
DG51730	"Benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-"	271921	"NSC115928; 70743-55-4; UNII-TQ8Q53FMH7; TQ8Q53FMH7; CHEMBL268914; 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)benzonitrile; Benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-; 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile; NSC 115928; SCHEMBL14577666; DTXSID00221011; BDBM50291779; ZINC17428337; Ethanesulfonic acid, compd. with benzonitrile der.; 3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzonitrile; 3-[(1,2-Dihydro-2,2-dimethyl-4,6-diamino-1,3,5-triazin)-1-yl]benzenecarbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	115928	.	.	.	.	242.28	C12H14N6	104	441	-0.2	18	2	2	1	"InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)C#N)N)N)C	NCLZDLNUFXETQQ-UHFFFAOYSA-N
DG51731	Dehydroheliotridine	272106	"DEHYDROHELIOTRIDINE; 3,8-Dehydroheliotridine; UNII-EGL727L56R; 26400-24-8; (1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol; EGL727L56R; (+)-Dehydroheliotridine; HSDB 3480; NSC 116336; Heliotridine,8-didehydro-; 3,8a-Didehydroheliotridine; Heliotridine,8a-didehydro-; CHEMBL1999592; DTXSID00181000; 1H-Pyrrolizine-7-methanol, 2,3-dihydro-1-hydroxy-, (S)-; WLN: T55 AN&TJ D1Q FQ; ZINC5004738; NSC116336; Heliotridine, 3,8-didehydro- (8CI); NSC-116336; WLN: T55 AN&TJ D1Q FQ -S; NCI60_000367; Q27277173; (7S)-7-Hydroxy-6,7-dihydro-5H-pyrrolizine-1-methanol; 1H-Pyrrolizine-7-methanol,3-dihydro-1-hydroxy-, (S)-; UNII-ZY3OL6W2LY component QFPRRXUPCPFWKD-ZETCQYMHSA-N"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116336	.	.	.	.	153.18	C8H11NO2	45.4	151	-1	11	2	2	1	"InChI=1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,4-5H2/t7-/m0/s1"	C1CN2C=CC(=C2[C@H]1O)CO	QFPRRXUPCPFWKD-ZETCQYMHSA-N
DG51732	12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine	272209	NSC116491; 18587-27-4; NSC-116491; 12-((4-methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine; NCIStruc1_001510; NCIStruc2_000986; CHEMBL1374524; DTXSID70297526; CCG-37247; NCGC00014162; NCI116491; ZINC19366416; NCGC00014162-02; NCGC00097271-01; NCI60_000371	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116491	.	.	.	.	389.5	C23H23N3OS	52.1	564	4.1	28	0	4	2	"InChI=1S/C23H23N3OS/c1-24-10-12-25(13-11-24)16-23(27)26-19-8-4-5-9-21(19)28-22-15-18-7-3-2-6-17(18)14-20(22)26/h2-9,14-15H,10-13,16H2,1H3"	CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42	JHWISLMTUJNEQP-UHFFFAOYSA-N
DG51733	"3-[(2,3,4,5,6-Pentafluorophenyl)diazenyl]-1H-indol-2-ol"	272247	"NSC116535; 21231-38-9; MLS002701967; 3-[(2,3,4,5,6-Pentafluorophenyl)diazenyl]-1H-indol-2-ol; NCIMech_000298; CHEMBL1708964; CHEMBL1972374; DTXSID70417686; ZINC6927941; CCG-35366; STL506350; AKOS003247075; NSC-116535; NCI60_000375; SMR001565545; Indole-2, 3-[(pentafluorophenyl)hydrazone]; 1H-Indole-2, 3-[(pentafluorophenyl)hydrazone]; (3Z)-3-[2-(pentafluorophenyl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116535	.	.	.	.	327.21	C14H6F5N3O	60.7	440	4.3	23	2	8	2	"InChI=1S/C14H6F5N3O/c15-7-8(16)10(18)13(11(19)9(7)17)22-21-12-5-3-1-2-4-6(5)20-14(12)23/h1-4,20,23H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C(=C(C(=C3F)F)F)F)F	CVPMFEJGUOBQAT-UHFFFAOYSA-N
DG51734	NSC116555	272259	"4,12,22,24-tetrahydroxy-13-methoxycarbonyl-N,N,1,12-tetramethyl-6,17-dioxo-10-(3,4,5-trimethoxy-4,6-dimethyloxan-2-yl)oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-23-amine oxide; NSC116555; U 25795; CHEMBL1968452; NSC-116555; NCI60_000377"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116555	.	.	.	.	787.8	C39H49NO16	224	1550	1.4	56	4	16	8	"InChI=1S/C39H49NO16/c1-15-32(49-7)39(4,52-10)33(50-8)36(53-15)54-22-14-37(2,47)25(34(46)51-9)17-12-19-18(11-16(17)22)27(42)23-21(41)13-20-30(24(23)28(19)43)55-35-29(44)26(40(5,6)48)31(45)38(20,3)56-35/h11-13,15,22,25-26,29,31-33,35-36,41,44-45,47H,14H2,1-10H3"	CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C=C23)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)[N+](C)(C)[O-])O)O)C(=O)OC)(C)O)OC)(C)OC)OC	JTRPMLGIWQJPIB-UHFFFAOYSA-N
DG51735	2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine	272286	"NSC116590; 23898-57-9; 2-Cyclohexyl-3-(3-(hydroxy(oxido)amino)phenyl)-1,2-oxaziridine; 2-cyclohexyl-3-(3-nitrophenyl)oxaziridine; NSC 116590; CHEMBL1991660; NSC-116590; NCI60_000379"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116590	.	.	.	.	248.28	C13H16N2O3	61.4	312	3.3	18	0	4	2	"InChI=1S/C13H16N2O3/c16-15(17)12-8-4-5-10(9-12)13-14(18-13)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7H2"	C1CCC(CC1)N2C(O2)C3=CC(=CC=C3)[N+](=O)[O-]	IOXPEEMDMAXKEF-UHFFFAOYSA-N
DG51736	2-isoquinolin-1-yl-5-phenyl-1H-pyrrole-3-carbonitrile	272334	NSC116640; MLS000737773; CHEMBL1602361; SCHEMBL21369146; HMS2886F14; ZINC13152226; NSC-116640; SMR000528526	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116640	.	.	.	.	295.3	C20H13N3	52.5	447	4	23	1	2	2	"InChI=1S/C20H13N3/c21-13-16-12-18(15-7-2-1-3-8-15)23-19(16)20-17-9-5-4-6-14(17)10-11-22-20/h1-12,23H"	C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C#N	SDDXNUASCRUNBK-UHFFFAOYSA-N
DG51737	"1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline"	272358	"NSC116702; NSC-116702; MLS000737776; NCIStruc1_001424; NCIStruc2_001197; CHEMBL1477383; SCHEMBL20211623; 1-(4-(4-methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline; ZINC1705919; CCG-37245; NCGC00014167; NCI116702; NCGC00014167-02; NCGC00097276-01; NCI60_000384; SMR000528528"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116702	.	.	.	.	362.4	C25H18N2O	38.9	497	5.9	28	0	3	3	"InChI=1S/C25H18N2O/c1-17-11-13-19(14-12-17)22-24(20-8-3-2-4-9-20)28-25(27-22)23-21-10-6-5-7-18(21)15-16-26-23/h2-16H,1H3"	CC1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5	IOAOVPFXAIBMCW-UHFFFAOYSA-N
DG51738	7-nitro-9H-fluorene-2-carboxylic acid	272395	NSC116758; CHEMBL1981626; ZINC1706442; NSC-116758	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116758	.	.	.	.	255.22	C14H9NO4	83.1	391	3	19	1	4	1	"InChI=1S/C14H9NO4/c16-14(17)8-1-3-12-9(5-8)6-10-7-11(15(18)19)2-4-13(10)12/h1-5,7H,6H2,(H,16,17)"	C1C2=C(C=CC(=C2)C(=O)O)C3=C1C=C(C=C3)[N+](=O)[O-]	OJHCXHSNQPRFSN-UHFFFAOYSA-N
DG51739	Acovenoside A	272417	"Acovenoside A; NSC116787; 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 663-95-6; NSC-116787; NCI60_000386; Card-20(22)-enolide,14-dihydroxy-, (1.beta.,3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116787	.	.	.	.	550.7	C30H46O9	135	1000	1.1	39	4	9	4	"InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15 ,17-,18-,19-,20+,21-,22-,24 ,25 ,26 ,27 ,28-,29+,30+/m1/s1"	CC1C(C(C(C(O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O	DKYDBQQIQAPGMH-FIZVBJIDSA-N
DG51740	Acovenoside B	272418	Acovenoside B; NSC116789; NSC-116789; NCI60_000387	.	.	Investigative Drug(s)	Investigative	Small molecular drug	116789	.	.	.	.	594.7	C31H46O11	161	1110	-0.1	42	4	11	6	"InChI=1S/C31H46O11/c1-15-25(34)27(38-4)26(35)28(40-15)42-19-12-18-5-6-21-22(31(18,37)23(13-19)41-16(2)32)7-9-29(3)20(8-10-30(21,29)36)17-11-24(33)39-14-17/h11,15,18-23,25-28,34-37H,5-10,12-14H2,1-4H3"	CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)OC(=O)C)O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O	IVASUCKOVWICFI-UHFFFAOYSA-N
DG51741	"4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione"	272555	"4-[(2,4-dimethylphenyl)amino]naphthalene-1,2-dione; 69085-38-7; NSC117011; 4-(2,4-dimethylanilino)naphthalene-1,2-dione; 4-((2,4-Dimethylphenyl)amino)naphthalene-1,2-dione; 4-(2,4-dimethylanilino)-1,2-naphthalenedione; MLS001360416; CHEMBL3195691; SCHEMBL17660021; DTXSID30297648; HMS3069G09; AKOS003598428; ZINC100250868; MCULE-6381090880; NSC-117011; SMR001224033; AG-205/37066085"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117011	.	.	.	.	277.3	C18H15NO2	46.2	468	3.5	21	1	3	2	"InChI=1S/C18H15NO2/c1-11-7-8-15(12(2)9-11)19-16-10-17(20)18(21)14-6-4-3-5-13(14)16/h3-10,19H,1-2H3"	CC1=CC(=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32)C	ZAGDPSPINVOXCU-UHFFFAOYSA-N
DG51742	"4-(3-Bromoanilino)naphthalene-1,2-dione"	272559	NSC117015; ZINC1707101; NSC-117015; SR-01000324127; SR-01000324127-1	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117015	.	.	.	.	328.16	C16H10BrNO2	46.2	446	3.4	20	1	3	2	"InChI=1S/C16H10BrNO2/c17-10-4-3-5-11(8-10)18-14-9-15(19)16(20)13-7-2-1-6-12(13)14/h1-9,18H"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC(=CC=C3)Br	SYFXQNRVMLCRPZ-UHFFFAOYSA-N
DG51743	5-Bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol	272568	NSC117028; MLS000737481; 5-bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol; NSC-117028; NCIStruc1_001306; NCIStruc2_001279; CHEMBL1332450; SCHEMBL15156813; HMS2875D07; ZINC1707109; CCG-37383; NCGC00014172; NCI117028; STL307634; AKOS002744921; MCULE-2063311123; NCGC00014172-02; NCGC00097281-01; 500363-62-2; NCI60_000392; SMR000528532; 5-bromo-7-((4-phenyl-1-piperazinyl)methyl)-8-quinolinol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117028	.	.	.	.	398.3	C20H20BrN3O	39.6	423	4	25	1	4	3	"InChI=1S/C20H20BrN3O/c21-18-13-15(20(25)19-17(18)7-4-8-22-19)14-23-9-11-24(12-10-23)16-5-2-1-3-6-16/h1-8,13,25H,9-12,14H2"	C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4	CMIBCLNTDXWVDH-UHFFFAOYSA-N
DG51744	"6-(Acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide"	272581	"10262-39-2; NSC117180; 6-(acetyloxy)-3,8,14-trihydroxy-1,2-epoxybufa-4,20,22-trienolide; Neuro_000054; Scillirosidin,2.alpha.-epoxy-; CHEMBL1966119; DTXSID70907956; NSC-117180; NCI60_000396; 1.ALPHA.,2.ALPHA.-EPXOYSCILLIROSIDIN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117180	.	.	.	.	472.5	C26H32O8	126	1060	0.2	34	3	8	3	"InChI=1S/C26H32O8/c1-13(27)33-18-11-25(30)19(24(3)16(18)10-17(28)21-22(24)34-21)7-8-23(2)15(6-9-26(23,25)31)14-4-5-20(29)32-12-14/h4-5,10,12,15,17-19,21-22,28,30-31H,6-9,11H2,1-3H3"	CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(C6C5O6)O)C)O	PQPYOTABGNYENP-UHFFFAOYSA-N
DG51745	3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one	272588	"3-[2-(2-methylphenyl)hydrazinyl]indol-2-one; 21231-41-4; 1H-indole-2,3-dione 3-[(2-methylphenyl)hydrazone]; MLS001178907; SMR000475997; 3-[(2-methylphenyl)diazenyl]-1H-indol-2-ol; NSC117191; CHEMBL1731797; CHEMBL2003469; cid_5381405; DTXSID50419087; BDBM114781; HMS2800F12; ZINC85397602; AKOS001046102; AKOS024342817; AKOS030656439; MCULE-3353361967; NSC-117191; 3-[(2-methylphenyl)hydrazo]-2-indolone; 3-[N''-(o-tolyl)hydrazino]indol-2-one; NCI60_000400; AE-848/32614027; 3-(O-TOLYL-HYDRAZONO)-1,3-DIHYDRO-INDOL-2-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117191	.	.	.	.	251.28	C15H13N3O	60.7	333	4.2	19	2	3	2	"InChI=1S/C15H13N3O/c1-10-6-2-4-8-12(10)17-18-14-11-7-3-5-9-13(11)16-15(14)19/h2-9,16,19H,1H3"	CC1=CC=CC=C1N=NC2=C(NC3=CC=CC=C32)O	UBUKNDAQRIEDKX-UHFFFAOYSA-N
DG51746	"Indole-2, 3-[(o-chlorophenyl)hydrazone]"	272589	"MLS002701969; 21231-39-0; NSC117192; CHEMBL1652341; CHEMBL1725934; SCHEMBL14111949; DTXSID10419088; BDBM152149; ZINC102824210; NSC-117192; NCI60_000401; SMR001565547; Indole-2, 3-[(o-chlorophenyl)hydrazone]; US8987474, HL1-050-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117192	.	.	.	.	271.7	C14H10ClN3O	60.7	339	4.4	19	2	3	2	"InChI=1S/C14H10ClN3O/c15-10-6-2-4-8-12(10)17-18-13-9-5-1-3-7-11(9)16-14(13)19/h1-8,16,19H"	C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3Cl	DCKVLFOMXZJZNU-UHFFFAOYSA-N
DG51747	"Furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"	272598	"NSC117212; NSC-117212; 25656-56-8; CHEMBL1741631; DTXSID10297661; CCG-38221; NCGC00014176; NCI117212; NCGC00014176-02; NCGC00097285-01; furo[3,4-f][2]benzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; NCI60_000405; A818039; furo[3,4-f]isobenzofuran-1,3,5,7-tetrone; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117212	.	.	.	.	468.4	C25H12N2O8	146	681	.	35	0	10	4	"InChI=1S/C15H10N2O2.C10H2O6/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-8H,9H2;1-2H"	C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O	QMFJHPFJGDEWOU-UHFFFAOYSA-N
DG51748	"1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone"	272617	"1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone; 19922-77-1; 1,2,4,5-tetrabromo-1,5-diphenylpentan-3-one; NSC117232; DTXSID70297667; STL367800; AKOS001722129; MCULE-5613951117; NSC-117232; 1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone #; Pentan-3-one, 1,2,4,5-tetrabromo-1,5-diphenyl-; 1,5-DIPHENYL-1,2,4,5-TETRABROMO-3-PENTANONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117232	.	.	.	.	553.9	C17H14Br4O	17.1	319	6.2	22	0	1	6	"InChI=1S/C17H14Br4O/c18-13(11-7-3-1-4-8-11)15(20)17(22)16(21)14(19)12-9-5-2-6-10-12/h1-10,13-16H"	C1=CC=C(C=C1)C(C(C(=O)C(C(C2=CC=CC=C2)Br)Br)Br)Br	YQZQHNNMRZCOOF-UHFFFAOYSA-N
DG51749	"4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide"	272646	"NSC117269; NSC-117269; CHEMBL2005222; NCI60_000407; 4-(4,3,5-triazin-1(2H)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide; 4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117269	.	.	.	.	456.9	C19H17ClN8O2S	160	779	1.2	31	3	6	5	"InChI=1S/C19H17ClN8O2S/c20-13-4-2-12(3-5-13)16-25-17(21)26-18(22)28(16)14-6-8-15(9-7-14)31(29,30)27-19-23-10-1-11-24-19/h1-11,16H,(H,23,24,27)(H4,21,22,25,26)"	C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(N=C(N=C3N)N)C4=CC=C(C=C4)Cl	XHNFAKQGACPDTB-UHFFFAOYSA-N
DG51750	"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione"	272648	"NSC117271; NSC-117271; NCIStruc1_001420; NCIStruc2_001847; ZINC1707218; CCG-37275; NCGC00014179; NCI117271; NCGC00014179-02; NCGC00097288-01; 3-[(4-chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione; NCI60_000408; 2,2'-[(4-Chlorophenyl)methylene]bis(3-hydroxy-1,4-naphthalenedione); 2-[(4-chlorophenyl)-(3-hydroxy-1,4-dioxo-2-naphthyl)methyl]-3-hydroxy-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117271	.	.	.	.	470.9	C27H15ClO6	109	917	3.8	34	2	6	3	"InChI=1S/C27H15ClO6/c28-14-11-9-13(10-12-14)19(20-22(29)15-5-1-3-7-17(15)24(31)26(20)33)21-23(30)16-6-2-4-8-18(16)25(32)27(21)34/h1-12,19,29-30H"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)Cl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O	HVYRMCCQYYCOET-UHFFFAOYSA-N
DG51751	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)phenylarsonic acid"	272658	"NSC117281; NSC-117281; NCIStruc1_001356; NCIStruc2_001073; CHEMBL1254197; CHEMBL1317510; ANTINEOPLASTIC-117281; CCG-37250; NCGC00014181; NCI117281; NCGC00014181-02; NCGC00097290-01; NCI60_000410; 2-hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)phenylarsonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117281	.	.	.	.	369.17	C10H12AsN7O4	206	449	.	22	6	11	3	"InChI=1S/C10H12AsN7O4/c12-8-7(9(13)16-10(14)15-8)18-17-4-1-2-5(6(19)3-4)11(20,21)22/h1-3,19H,(H2,20,21,22)(H6,12,13,14,15,16)"	C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)[As](=O)(O)O	KDRNTLJSSMMJLN-UHFFFAOYSA-N
DG51752	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	272662	"NSC117285; NSC-117285; NCIStruc1_001955; NCIStruc2_000689; SCHEMBL5079731; CHEMBL1333384; CHEMBL1971987; ZINC3954319; CCG-37502; NCGC00014182; NCI117285; ZINC13099301; NCGC00014182-02; NCGC00097291-01; NCI60_000411; 2-hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117285	.	.	.	.	289.25	C11H11N7O3	186	395	0.7	21	5	10	3	"InChI=1S/C11H11N7O3/c12-8-7(9(13)16-11(14)15-8)18-17-4-1-2-5(10(20)21)6(19)3-4/h1-3,19H,(H,20,21)(H6,12,13,14,15,16)"	C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)C(=O)O	UWKYCZZYRPDTJU-UHFFFAOYSA-N
DG51753	Adamotyl ara-C	272892	"Adamantoylcytarabine; Adam CA; 23113-01-1; Adamotyl ara-C; NSC117614; MLS002701971; Adamantoyl cytarabine; ADOCA; [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate; NSC-117614; CHEMBL1715101; DTXSID50945795; Cytosine, 5'-(1-adamantanecarboxylate); NCI60_000421; SMR001565549; 1-.beta.-D-Arabinoofuranosylcytosine 5'-adamantoate; 2(1H)-Pyrimidinone,7)]dec-1-ylcarbonyl)-.beta.-D-arabinofuranosyl]-; 4-Imino-1-[5-O-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)pentofuranosyl]-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117614	.	.	.	.	405.4	C20H27N3O6	135	739	0.8	29	3	6	5	"InChI=1S/C20H27N3O6/c21-14-1-2-23(19(27)22-14)17-16(25)15(24)13(29-17)9-28-18(26)20-6-10-3-11(7-20)5-12(4-10)8-20/h1-2,10-13,15-17,24-25H,3-9H2,(H2,21,22,27)"	C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O	NMANUXYHRYVLDW-UHFFFAOYSA-N
DG51754	"(2,3-Diphenylcycloprop-2-en-1-yl)urea"	272896	NSC117619; CHEMBL2003561; ZINC1707545; NSC-117619; NCI60_000422	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117619	.	.	.	.	250.29	C16H14N2O	55.1	348	1.8	19	2	1	3	"InChI=1S/C16H14N2O/c17-16(19)18-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H3,17,18,19)"	C1=CC=C(C=C1)C2=C(C2NC(=O)N)C3=CC=CC=C3	UVBYXRGXXAQUFT-UHFFFAOYSA-N
DG51755	"3-(2,4-Dinitrophenoxy)pyridine"	272938	"3-(2,4-Dinitrophenoxy)pyridine; 40604-27-1; MLS002706763; NSC117739; Pyridine, 3-(2,4-dinitrophenoxy)-; Pyridine,4-dinitrophenoxy)-; Oprea1_747690; CHEMBL1882702; DTXSID50297746; ZINC1707582; STK369689; AKOS005445570; MCULE-4363537790; NSC-117739; SMR001574162"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	117739	.	.	.	.	261.19	C11H7N3O5	114	340	2	19	0	6	2	InChI=1S/C11H7N3O5/c15-13(16)8-3-4-11(10(6-8)14(17)18)19-9-2-1-5-12-7-9/h1-7H	C1=CC(=CN=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	WSYSDMJVVVJKIH-UHFFFAOYSA-N
DG51756	"5,10,10-Trimethylbenzo[b][1,4]benzazastannine"	273088	"17154-51-7; 5,10,10-trimethylbenzo[b][1,4]benzazastannine; NSC118028; SCHEMBL2680384; DTXSID60297777; ZINC195763816; NSC-118028; Phenazastanine,10-dihydro-5,10,10-trimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118028	.	.	.	.	330.01	C15H17NSn	3.2	263	.	17	0	1	0	"InChI=1S/C13H11N.2CH3.Sn/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2-8,10H,1H3;2*1H3;"	CN1C2=CC=CC=C2[Sn](C3=CC=CC=C31)(C)C	HDLOTGARUIVRDY-UHFFFAOYSA-N
DG51757	"bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate"	273108	"NSC118051; bismuth diethyldithiocarbamate; bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate; NSC-118051; NCI60_000430; 6-(((Diethylamino)carbothioyl)thio)-3,9-diethyl-4,8-dithioxo-5,7-dithia-3,9-diaza-6-bismaundecane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118051	.	.	.	.	653.8	C15H30BiN3S6	182	364	.	25	0	6	12	"InChI=1S/3C5H11NS2.Bi/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3"	CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC	YTLFVJABOBHSFS-UHFFFAOYSA-K
DG51758	"Prototryptochrome, iodo-"	273178	"NSC118176; NSC-118176; Prototryptochrome, iodo-; CHEMBL1975573; SCHEMBL13856951; NCI60_000433; 6,13-diimino-7a-iodo-6,7,7a,12a,12b,13,14,14a-octahydrodiindolo[3,2,1-de:3,2,1-ij][1,5]naphthyridine-7,14-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118176	.	.	.	.	472.3	C20H17IN4O2	94.6	718	1.4	27	4	4	0	"InChI=1S/C20H17IN4O2/c21-20-10-6-2-4-8-12(10)25-16(20)14-13(15(26)18(25)22)9-5-1-3-7-11(9)24(14)19(23)17(20)27/h1-8,13-17,22-23,26-27H"	C1=CC=C2C(=C1)C3C4N2C(=N)C(C5(C4N(C6=CC=CC=C65)C(=N)C3O)I)O	OHXRFXUHYNXSGY-UHFFFAOYSA-N
DG51759	3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid	273493	NSC118767; CHEMBL1994145; NSC-118767; NCI60_000448	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118767	.	.	.	.	708.7	C40H36O12	164	1070	.	52	2	12	14	"InChI=1S/2C20H18O6/c1-24-16-10-15(25-12-13-5-3-2-4-6-13)11-17-20(16)14(7-8-18(21)22)9-19(23)26-17;1-24-15-10-16(25-12-13-5-3-2-4-6-13)20-14(7-8-18(21)22)9-19(23)26-17(20)11-15/h2*2-6,9-11H,7-8,12H2,1H3,(H,21,22)"	COC1=CC2=C(C(=CC(=O)O2)CCC(=O)O)C(=C1)OCC3=CC=CC=C3.COC1=CC(=CC2=C1C(=CC(=O)O2)CCC(=O)O)OCC3=CC=CC=C3	CTQHVQPXRZRRHJ-UHFFFAOYSA-N
DG51760	"4-(acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate"	273548	"NSC118836; NSC-118836; NCIStruc1_001386; NCIStruc2_001271; CHEMBL1447807; ZINC1708695; CCG-36640; NCGC00014206; NCI118836; 4-(acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate; NCGC00014206-02; NCGC00097315-01; NCI60_000452"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	118836	.	.	.	.	324.35	C14H16N2O5S	101	597	0.4	22	1	5	4	"InChI=1S/C14H16N2O5S/c1-9-4-6-11(7-5-9)22(19,20)21-12-8-16(3)14(18)13(12)15-10(2)17/h4-7H,8H2,1-3H3,(H,15,17)"	CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C	DQQGEOTYVFSRGQ-UHFFFAOYSA-N
DG51761	"6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester"	273769	"NSC119236; 3306-93-2; ethyl 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate; NSC-119236; 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester; CHEMBL458765; ethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate; 1-Carboethoxy-2,3-phthaloylpyrrocoline; ChemDiv3_001941; NCIStruc1_001582; NCIStruc2_001066; Oprea1_010120; Oprea1_229435; CHEBI:93990; DTXSID10297924; HMS1478I05; ZINC167718; BDBM50463924; CCG-36636; NCGC00014207; NCI119236; STK981928; AKOS001634473; MCULE-6609187924; IDI1_020907; NCGC00014207-02; NCGC00014207-03; NCGC00097316-01; NCI60_000459; A821700; AF-399/14738011; SR-01000081644; SR-01000081644-1; BRD-K28100108-001-01-0; Q27165743; 5,10-Dioxo-4a-aza-4aH-benzo[b]fluorene-11-carboxylic acid ethyl ester; ethyl 6,11-bis(oxidanylidene)naphtho[2,3-b]indolizine-12-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119236	.	.	.	.	319.3	C19H13NO4	64.8	560	4	24	0	4	3	"InChI=1S/C19H13NO4/c1-2-24-19(23)14-13-9-5-6-10-20(13)16-15(14)17(21)11-7-3-4-8-12(11)18(16)22/h3-10H,2H2,1H3"	CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O	RCDIUAFMNCXJRV-UHFFFAOYSA-N
DG51762	"ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate"	273923	"NSC119621; NSC-119621; CHEMBL1981857; ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate; NCI60_000463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119621	.	.	.	.	308.4	C20H20O3	46.5	448	3.7	23	1	3	3	"InChI=1S/C20H20O3/c1-2-23-20(22)19-17(21)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)18(16)19/h3-10,16-19,21H,2,11H2,1H3"	CCOC(=O)C1C(CC2C1C3=CC=CC=C3C4=CC=CC=C24)O	XBBKGMWUFSFRON-UHFFFAOYSA-N
DG51763	"2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid"	274104	"NSC119889; 2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid; NSC-119889; 500533-91-5; NCIStruc1_000269; NCIStruc2_000235; CHEMBL516616; SCHEMBL4391208; DTXSID40297977; ZINC3954332; CCG-36251; NCGC00014212; NCI119889; NCGC00014212-02; NCGC00014212-03; NCGC00097321-01; NCGC00162029-01; NCI60_000468; Q32039271; 2,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid; Benzoic acid, 2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119889	.	.	.	.	649.9	C20H10Br4O5	87	598	6.5	29	3	5	2	"InChI=1S/C20H10Br4O5/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13-9-3-1-7(25)5-11(9)29-12-6-8(26)2-4-10(12)13/h1-6,13,25-26H,(H,27,28)"	C1=CC2=C(C=C1O)OC3=C(C2C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O)C=CC(=C3)O	ABKDQIYZBHXIDA-UHFFFAOYSA-N
DG51764	"2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid"	274122	"NSC119910; NSC-119910; CHEMBL487046; cid_274122; SCHEMBL2778459; SCHEMBL16556406; BDBM50246208; NCI60_000471; M-119; MLS-0111618.0001; 2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohexanecarboxylic acid; 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119910	.	.	.	.	370.4	C20H18O7	124	762	2.1	27	4	7	2	"InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)"	C1CCC(C(C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O	CAVIJGGXNIURPI-UHFFFAOYSA-N
DG51765	"7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	274125	"NSC119913; NSC-119913; MLS-0111619.0001; 7-methyl-2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; CHEMBL471004; cid_274125; SCHEMBL2777685; BDBM42000; 7-methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; NCI60_000473; 7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)-3-bicyclo[2.2.1]hept-5-enecarboxylic acid; 7-methyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid; 7-methyl-3-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid; Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119913	.	.	.	.	394.4	C22H18O7	124	910	1.7	29	4	7	2	"InChI=1S/C22H18O7/c1-8-9-2-3-10(8)17(22(27)28)16(9)15-11-4-6-13(23)18(25)20(11)29-21-12(15)5-7-14(24)19(21)26/h2-10,16-17,23,25-26H,1H3,(H,27,28)"	CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O	BSAMRWOMXJWVCE-UHFFFAOYSA-N
DG51766	"3-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)propanoic acid"	274127	"NSC119915; NSC-119915; MLS-0111617.0001; NCIStruc1_001552; NCIStruc2_001625; cid_274127; SCHEMBL5080754; 3-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)propanoic acid; CHEMBL1481974; BDBM41999; 3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid; ZINC3954336; CCG-36678; NCGC00014216; NCI119915; NCGC00014216-02; NCGC00014216-03; NCGC00097325-01; NCGC00097325-02; NCI60_000474; 3-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)propanoic acid; 3-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)propanoic acid; 3H-Xanthene-9-propanoic acid, 4,5,6-trihydroxy-3-oxo-; 3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic acid; 3-(4,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid; 3-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	119915	.	.	.	.	316.26	C16H12O7	124	643	0.6	23	4	7	3	"InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)"	C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O	OCMFSQMNSIPSJS-UHFFFAOYSA-N
DG51767	"3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one"	274159	"NSC277290; 466-09-1; 5alpha-Card-20(22)-enolide,14-dihydroxy-; 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one; 5.alpha.-Card-20(22)-enolide,14-dihydroxy-; MLS002701726; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.alpha.)-; NSC407806; ODORIGENINB; SCHEMBL1152954; NSC119993; NSC224424; UZARIGENIN B614014K070; AKOS032948827; MCULE-1542720935; NSC-119993; NSC-224424; NSC-277290; LS-15019; NCI60_002256; NCI60_003892; SMR001565322; 3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 4-(3,14-dihydroxy-10,13-dimethyl-hexadecahydrocyclopenta[a]phenanthren-17-yl)-5h-furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277290	.	.	.	.	374.5	C23H34O4	66.8	686	2.6	27	2	4	1	"InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O	XZTUSOXSLKTKJQ-UHFFFAOYSA-N
DG51768	N-(2-formylphenyl)-4-methylbenzenesulfonamide	274241	"N-(2-formylphenyl)-4-methylbenzenesulfonamide; 6590-65-4; N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamide; NSC120186; Benzenesulfonamide, N-(2-formylphenyl)-4-methyl-; NSC-120186; 2Tosylaminobenzaldehyde; 2-tosylaminobenzaldehyde; EC-000.1784; 2-(Tosylamino)benzaldehyde; NCIStruc1_001960; NCIStruc2_000731; ghl.PD_Mitscher_leg0.1275; CHEMBL1448552; SCHEMBL15820897; DTXSID90298010; ZINC262711; CCG-37538; MFCD00805186; NCGC00014219; NCI120186; AKOS000271038; MCULE-2466432987; N-(2-Formylphenyl)-ptoluenesulfonamide; NCGC00014219-02; NCGC00097328-01; NCI60_000478; DB-054852; FT-0636188"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120186	.	.	.	.	275.32	C14H13NO3S	71.6	393	2.4	19	1	4	4	"InChI=1S/C14H13NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-10,15H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=O	QLQGABDYGHEFOM-UHFFFAOYSA-N
DG51769	5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid	274297	NSC120288; NSC-120288; NCIStruc1_001346; NCIStruc2_001825; CHEMBL1453715; ZINC1709783; 5-[4-(4-carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid; CCG-36606; NCGC00014220; NCI120288; NCGC00014220-02; NCGC00097329-01; NCI60_000479	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120288	.	.	.	.	334.3	C12H6N4O4S2	183	407	2	22	2	10	4	"InChI=1S/C12H6N4O4S2/c17-11(18)7-9(21-15-13-7)5-1-2-6(4-3-5)10-8(12(19)20)14-16-22-10/h1-4H,(H,17,18)(H,19,20)"	C1=CC(=CC=C1C2=C(N=NS2)C(=O)O)C3=C(N=NS3)C(=O)O	FKLUDLBKVQQJJO-UHFFFAOYSA-N
DG51770	"5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acid"	274548	"89626-10-8; 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acid; 5-(Hydrazinylsulfonyl)isophthalic acid; 5-(hydrazinosulfonyl)isophthalic acid; NSC120634; NSC-120634; CHEMBL443954; 5-(hydrazinylsulfonyl)benzene-1,3-dicarboxylic acid; 1,3-Benzenedicarboxylic acid, 5-(hydrazinosulfonyl)-; NCIStruc1_001924; NCIStruc2_000851; SCHEMBL10611041; DTXSID50298112; ZINC1710102; BDBM50246207; CCG-37536; MFCD20039943; NCGC00014224; NCI120634; AKOS015995184; NCGC00014224-02; NCGC00097333-01; NCI60_000485; DS-005602; 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylicacid; J-516351"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120634	.	.	.	.	260.23	C8H8N2O6S	155	392	-3.1	17	4	8	4	"InChI=1S/C8H8N2O6S/c9-10-17(15,16)6-2-4(7(11)12)1-5(3-6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)"	C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)O	UWALZFACAZHTQM-UHFFFAOYSA-N
DG51771	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride"	274726	"25313-00-2; NSC120925; DTXSID10298133; NSC-120925; DS-014771; 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride; Ethanesulfonic acid--4-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	120925	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1020	.	41	5	9	9	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-21(2)29-18(24)28-19(25)30(21)14-6-9-17(16(22)12-14)34-11-3-10-26-20(31)27-13-4-7-15(8-5-13)35(23,32)33;1-2-6(3,4)5/h4-9,12H,3,10-11H2,1-2H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	ZJBYSLCJGWDCGS-UHFFFAOYSA-N
DG51772	2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate	274793	NSC121073; CHEMBL1998411; NSC-121073	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121073	.	.	.	.	434.6	C25H42N2O4	84.2	473	8.5	31	1	5	18	"InChI=1S/C25H42N2O4/c1-4-6-8-10-12-21(3)20-23(13-11-9-7-5-2)26-18-19-31-25(28)22-14-16-24(17-15-22)27(29)30/h14-17,21,23,26H,4-13,18-20H2,1-3H3"	CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]	RHMQUCJFHNCQBF-UHFFFAOYSA-N
DG51773	N-(8-chloro-6-oxo-5H-phenanthridin-3-yl)acetamide	274963	NSC121322; CHEMBL1989010; ZINC8637627; NSC-121322	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121322	.	.	.	.	286.71	C15H11ClN2O2	58.2	415	2.3	20	2	2	1	"InChI=1S/C15H11ClN2O2/c1-8(19)17-10-3-5-12-11-4-2-9(16)6-13(11)15(20)18-14(12)7-10/h2-7H,1H3,(H,17,19)(H,18,20)"	CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)Cl)C(=O)N2	TVYRCWHYMBTFNX-UHFFFAOYSA-N
DG51774	"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione"	275098	"MLS002701975; SMR001565552; NSC121713; cid_275098; CHEMBL1711303; BDBM80756; ZINC1710905; 2-(dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione; NSC-121713; 2-(dimethylamino)-3-(p-tolylthio)-1,4-naphthoquinone; 2-(dimethylamino)-3-(4-methylphenyl)sulfanyl-naphthalene-1,4-dione; 2-(dimethylamino)-3-[(4-methylphenyl)thio]naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	121713	.	.	.	.	323.4	C19H17NO2S	62.7	518	4.4	23	0	4	3	"InChI=1S/C19H17NO2S/c1-12-8-10-13(11-9-12)23-19-16(20(2)3)17(21)14-6-4-5-7-15(14)18(19)22/h4-11H,1-3H3"	CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C)C	QOHQFFNJYZABNV-UHFFFAOYSA-N
DG51775	Noscapine	275196	"noscapine; 128-62-1; NARCOTINE; Tusscapine; Terbenol; Capval; Methoxyhydrastine; Coscopin; Narcompren; Narcosine; Noscapin; Vadebex; Narcotin; Narkotin; Noscapalin; Opianine; Opianin; (-)-Narcotine; Narcotussin; Longatin; Nectadon; Nicolane; Nipaxon; Lyobex; Opian; alpha-Narcotine; O-Methylnarcotoline; Coscotabs; Noscapinum; Key-tusscapine; Longactin; Noscapal; Noscapina; Hederix (free base); (-)-alpha-narcotine; L-alpha-Narcotine; Noscopine; UNII-8V32U4AOQU; NSC 5366; NSC-5366; .alpha.-Narcotine; L-.alpha.-Narcotine; (-)-.alpha.-Narcotine; 8V32U4AOQU; dl-Narcotine; alpha-Gnoscopine; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one; (S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one; CHEBI:73237; NSC5366; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; DSSTox_CID_3385; DSSTox_RID_77007; DSSTox_GSID_23385; Narcotine alkaloid; Noskapin; Noscapine dl-form; L-alpha-Noscapine; 8-Methoxyhydrastin; Coscopin (VAN); (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl), (S-(R*,S*))-; SMR000059119; (+-)-Noscapine; (-)-.alpha.-Norcotine; (-)-alpha-Norcotine; (+-)-alpha-Narcotine; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-; Noscapinum [INN-Latin]; Noscapina [INN-Spanish]; Narcotinum; CCRIS 9304; HSDB 3372; Noscapine [USP:INN:BAN:JAN]; .beta.-Narcotine; Noscapine (TN); (-)-noscapine; NCGC00016388-01; [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-Isobenzofuranone; CAS-128-62-1; Narcotine (8CI); Prestwick_959; (-)-a-Narcotine; EINECS 204-899-2; NSC 96350; 1-.alpha.-Narcotine; BRN 0099933; Tocris-1697; Narcotine, (+-)-; Prestwick0_000563; Prestwick1_000563; Prestwick2_000563; Prestwick3_000563; CBMicro_048259; SCHEMBL4559; (S,R)-Noscapine, 97%; Lopac0_000840; BSPBio_000346; 4-27-00-06838 (Beilstein Handbook Reference); MLS000069475; MLS001060855; SPBio_002565; Noscapine (JP15/USP/INN); Noscapine (JP17/USP/INN); BPBio1_000382; CHEMBL364713; DTXSID4023385; GTPL10212; HMS1569B08; HMS2096B08; HMS2269P05; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-; 6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one, (S-(R*,S*))- #; Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-; Tox21_110413; BBL012344; BDBM50424716; MFCD00069316; NSC121869; STK054401; ZINC19418974; Noscapine 1.0 mg/ml in Acetonitrile; AKOS000278036; Tox21_110413_1; CCG-204096; CS-5115; DB06174; MCULE-5334942206; NSC-121869; SDCCGSBI-0048054.P004; (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid; NCGC00023230-02; NCGC00023230-04; NCGC00023230-05; NCGC00023230-07; NCGC00023230-08; NCGC00023230-10; NCGC00023230-14; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-rel-; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-; 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline; AC-20272; AC-33191; HY-13716; L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline; NCI60_004322; VS-03291; BIM-0048054.P001; C09592; D01036; SR-01000075529-6; W-201012; BRD-K89237706-001-03-8; Q60998699; Noscapine, European Pharmacopoeia (EP) Reference Standard; UNII-A4C6WE7BZN component AKNNEGZIBPJZJG-MSOLQXFVSA-N; Noscapine, United States Pharmacopeia (USP) Reference Standard; WLN: T C566 DO FO KN EH & & TJ HO1 K1 J-DT56 BVO DHJ HO1 IO1; (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one; (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-(+-)-; 1(3H)-Isobenzofuranone,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-; Phthalide,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	5366	.	.	.	.	413.4	C22H23NO7	75.7	647	2.7	30	0	8	4	"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1"	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3	AKNNEGZIBPJZJG-MSOLQXFVSA-N
DG51776	NSC122060	275314	"3-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 25312-98-5; NSC122060; DTXSID80298266; NSC-122060; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]carbamoyl]metanilyl fluoride (1:1) (8CI) (MF2); Ethanesulfonic acid--3-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122060	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1030	.	41	5	9	9	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-21(2)29-18(24)28-19(25)30(21)14-7-8-17(16(22)12-14)34-10-4-9-26-20(31)27-13-5-3-6-15(11-13)35(23,32)33;1-2-6(3,4)5/h3,5-8,11-12H,4,9-10H2,1-2H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C	NFZCDHIQVFFNCX-UHFFFAOYSA-N
DG51777	8-Hydroxyquinoline-5-carbaldehyde	275363	"8-hydroxyquinoline-5-carbaldehyde; 2598-30-3; 5-Quinolinecarboxaldehyde, 8-hydroxy-; 8-hydroxy-5-quinolinecarboxaldehyde; 5-formyl-8-hydroxyquinoline; MLS000737539; 8-hydroxyquinoline-5-carboxaldehyde; 5-Quinolinecarboxaldehyde,8-hydroxy-; NSC122131; 5-formyl-8-hydroxychinolin; SCHEMBL700910; CHEMBL1487639; DTXSID70298275; HMS2862A16; ZINC1711209; 2196AB; MFCD03425064; AKOS005208275; CS-W007202; DS-4609; NSC-122131; SB67525; SMR000528556; 8-hydroxy-quinoline-5-carbaldehyde, AldrichCPR; A818232; A877403; 8-hydroxyquinoline-5-carbaldehyde;3-((4-Chloro-2-methylphenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122131	.	.	.	.	173.17	C10H7NO2	50.2	195	1.7	13	1	3	1	"InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H"	C1=CC2=C(C=CC(=C2N=C1)O)C=O	LIADJWREMDHKHQ-UHFFFAOYSA-N
DG51778	NSC122291	275433	"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25466-77-7; NSC122291; DTXSID30298291; NSC-122291; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--5-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1); o-Toluenesulfonyl fluoride,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]ureido]-, monoethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122291	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1060	.	42	5	9	9	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-13-5-6-14(11-18(13)36(24,33)34)28-21(32)27-9-4-10-35-17-8-7-15(12-16(17)23)31-20(26)29-19(25)30-22(31,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	HWMUYDBDFSVLLU-UHFFFAOYSA-N
DG51779	"1-Benzylsulfinyl-2,4-dinitrobenzene"	275684	"MLS002707253; SMR001574647; 1-benzylsulfinyl-2,4-dinitrobenzene; NSC122656; cid_275684; CHEMBL1711514; BDBM83282; 1-benzylsulfinyl-2,4-dinitro-benzene; NSC-122656; 35804-37-6; 2,4-dinitro-1-(phenylmethyl)sulfinylbenzene; 2,4-dinitro-1-(phenylmethyl)sulfinyl-benzene; SR-01000880028; SR-01000880028-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122656	.	.	.	.	306.3	C13H10N2O5S	128	414	2.3	21	0	6	3	"InChI=1S/C13H10N2O5S/c16-14(17)11-6-7-13(12(8-11)15(18)19)21(20)9-10-4-2-1-3-5-10/h1-8H,9H2"	C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	LKWVQGBAQZESOK-UHFFFAOYSA-N
DG51780	"1-Benzylsulfonyl-2,4-dinitro-benzene"	275685	"1-benzylsulfonyl-2,4-dinitro-benzene; NSC122657; 969-18-6; NSC-122657; NCIStruc1_001465; NCIStruc2_001663; SCHEMBL6115599; CHEMBL1489424; benzyl 2,4-dinitrophenyl sulfone; DTXSID70298351; ZINC1712050; CCG-36671; NCGC00014258; NCI122657; NCGC00014258-02; NCGC00097367-01; NCI60_000533"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	122657	.	.	.	.	322.3	C13H10N2O6S	134	512	2.5	22	0	6	3	"InChI=1S/C13H10N2O6S/c16-14(17)11-6-7-13(12(8-11)15(18)19)22(20,21)9-10-4-2-1-3-5-10/h1-8H,9H2"	C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]	HZFBXPDDUCZHGX-UHFFFAOYSA-N
DG51781	"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	275908	"21320-56-9; NSC123032; DTXSID80298423; NSC-123032; Ethanesulfonic acid--4-{4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123032	.	.	.	.	541.7	C23H32FN5O5S2	185	851	.	36	3	7	8	"InChI=1S/C21H26FN5O2S.C2H6O3S/c1-21(2)26-19(23)25-20(24)27(21)17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(14-10-16)30(22,28)29;1-2-6(3,4)5/h7-14H,3-6H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	KRQMCFVEXGYDGI-UHFFFAOYSA-N
DG51782	Mitomycin deriv T-73	275965	"NSC123115; 16910-79-5; NCIMech_000138; MITOMYCIN DERIV T-73; CHEMBL1967909; CCG-35362; NSC-123115; NCI60_000546; T 73; See replacing CAS registry number: 16910-79-5; Azirino[2',4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(propylamino)-, carbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123115	.	.	.	.	376.4	C18H24N4O5	133	804	0.6	27	3	8	7	"InChI=1S/C18H24N4O5/c1-4-5-20-12-8(2)14(23)13-11(15(12)24)9(7-27-17(19)25)18(26-3)16-10(21-16)6-22(13)18/h9-10,16,20-21H,4-7H2,1-3H3,(H2,19,25)/t9-,10+,16+,18-/m0/s1"	CCCNC1=C(C(=O)C2=C(C1=O)[C@@H]([C@]3(N2C[C@@H]4[C@H]3N4)OC)COC(=O)N)C	MFUIQIIDSGSITA-XIVHWCCNSA-N
DG51783	"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	275977	"NSC-123138; NSC123138; SCHEMBL12851543; Alanine,.alpha.-diphenylbenzyl)thio]-, L-; L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123138	.	.	.	.	397.9	C22H20ClNO2S	88.6	451	2.6	27	2	4	7	"InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)SCC(C(=O)O)N	BSTXYLCINUXYQF-UHFFFAOYSA-N
DG51784	s-[(4-Methylphenyl)(diphenyl)methyl]cysteine	275978	"61137-68-6; s-[(4-methylphenyl)(diphenyl)methyl]cysteine; NSC-123139; NSC123139; L-Cysteine, S-[(4-methylphenyl)diphenylmethyl]-; DTXSID60298441"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123139	.	.	.	.	377.5	C23H23NO2S	88.6	445	2.3	27	2	4	7	"InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)"	CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N	ZPXQDWLBSHVOEI-UHFFFAOYSA-N
DG51785	"L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-"	275979	"NSC123140; NSC-123140; Alanine,.alpha.-di-p-tolylbenzyl)thio]-; L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123140	.	.	.	.	391.5	C24H25NO2S	88.6	467	2.7	28	2	4	7	"InChI=1S/C24H25NO2S/c1-17-8-12-20(13-9-17)24(19-6-4-3-5-7-19,28-16-22(25)23(26)27)21-14-10-18(2)11-15-21/h3-15,22H,16,25H2,1-2H3,(H,26,27)"	CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C)SCC(C(=O)O)N	MSPIKMKQZSFDCR-UHFFFAOYSA-N
DG51786	N-methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine	275985	NSC123147; 27117-02-8; CHEMBL1999657; DTXSID60425134; ZINC16924215; ZINC104106118; NSC-123147; NCI60_000548	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123147	.	.	.	.	221.18	C7H10F3N5	56.6	239	2.2	15	1	7	2	"InChI=1S/C7H10F3N5/c1-4-5(12-14-15(2)3)6(13-11-4)7(8,9)10/h1-3H3,(H,11,13)"	CC1=C(C(=NN1)C(F)(F)F)N=NN(C)C	KLDRDWKGWGISSV-UHFFFAOYSA-N
DG51787	"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione"	276142	NSC123399; NSC-123399	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123399	.	.	.	.	314.4	C20H26O3	43.4	590	1.7	23	0	3	0	"InChI=1S/C20H26O3/c21-11-8-9-14-17(10-11)23-16-7-3-6-15-19(16)18(14)12-4-1-2-5-13(12)20(15)22/h12-13,15-17,19H,1-10H2"	C1CCC2C(C1)C(=O)C3CCCC4C3C2=C5CCC(=O)CC5O4	VETBAJOOAOCRGE-UHFFFAOYSA-N
DG51788	NSC123461	276171	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 21320-47-8; NSC123461; DTXSID20298487; NSC-123461; Ethanesulfonic acid--4-{3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123461	.	.	.	.	591.1	C22H28ClFN6O6S2	214	972	.	38	4	8	7	"InChI=1S/C20H22ClFN6O3S.C2H6O3S/c1-20(2)27-18(23)26-19(24)28(20)14-7-3-12(16(21)11-14)4-10-17(29)25-13-5-8-15(9-6-13)32(22,30)31;1-2-6(3,4)5/h3,5-9,11H,4,10H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	YIQWJOQMMAKAOO-UHFFFAOYSA-N
DG51789	NSC123463	276175	"4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 21322-73-6; NSC123463; DTXSID50298490; NSC-123463; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123463	.	.	.	.	571.7	C22H30FN7O6S2	226	968	.	38	5	8	6	"InChI=1S/C20H24FN7O3S.C2H6O3S/c1-12-10-14(6-9-16(12)32(21,30)31)25-19(29)24-11-13-4-7-15(8-5-13)28-18(23)26-17(22)27-20(28,2)3;1-2-6(3,4)5/h4-10H,11H2,1-3H3,(H2,24,25,29)(H4,22,23,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F	QNTQODOCEDOHBL-UHFFFAOYSA-N
DG51790	NSC123465	276179	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 20092-08-4; NSC123465; DTXSID70298492; NSC-123465; Ethanesulfonic acid--2-chloro-4-[({[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123465	.	.	.	.	626.5	C21H26Cl2FN7O6S2	226	1020	.	39	5	8	6	"InChI=1S/C19H20Cl2FN7O3S.C2H6O3S/c1-19(2)28-16(23)27-17(24)29(19)12-5-3-10(13(20)8-12)9-25-18(30)26-11-4-6-15(14(21)7-11)33(22,31)32;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H2,25,26,30)(H4,23,24,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CNC(=O)NC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	CASQZRYYMJAFEO-UHFFFAOYSA-N
DG51791	NSC123468	276185	"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoyl]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-07-9; NSC123468; DTXSID30298493; NSC-123468; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]propyl]carbamoyl]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--5-({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123468	.	.	.	.	635.1	C24H32ClFN6O7S2	224	1050	.	41	4	9	9	"InChI=1S/C22H26ClFN6O4S.C2H6O3S/c1-13-5-6-14(11-18(13)35(24,32)33)19(31)27-9-4-10-34-17-8-7-15(12-16(17)23)30-21(26)28-20(25)29-22(30,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H,27,31)(H4,25,26,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	ZHYMXINBDXGCEQ-UHFFFAOYSA-N
DG51792	NSC123469	276187	"4-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-14-8; NSC123469; DTXSID90298494; NSC-123469; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]ethyl]ureido]-o-toluenesulfonyl fluoride (1:1); Ethanesulfonic acid--4-[({2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123469	.	.	.	.	636.1	C23H31ClFN7O7S2	236	1050	.	41	5	9	8	"InChI=1S/C21H25ClFN7O4S.C2H6O3S/c1-12-10-13(4-7-17(12)35(23,32)33)27-20(31)26-8-9-34-16-6-5-14(11-15(16)22)30-19(25)28-18(24)29-21(30,2)3;1-2-6(3,4)5/h4-7,10-11H,8-9H2,1-3H3,(H2,26,27,31)(H4,24,25,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	AURVLUQOYPAJHS-UHFFFAOYSA-N
DG51793	"3-(3,3-Dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione"	276206	"36417-15-9; NSC123511; 3-(3,3-dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione; DTXSID40298500; ZINC104106818; NSC-123511; 1, 2-(3,3-dibromo-2-propenyl)-3-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123511	.	.	.	.	372.01	C13H8Br2O3	54.4	447	3.2	18	1	3	2	"InChI=1S/C13H8Br2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,16H,5H2"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Br)Br)O	XORFFJDRIVKWMC-UHFFFAOYSA-N
DG51794	"2,7-Dinitro-9h-fluoren-9-one oxime"	276243	"2,7-dinitro-9h-fluoren-9-one oxime; N-(2,7-dinitrofluoren-9-ylidene)hydroxylamine; 23818-25-9; NSC123814; Oprea1_273188; SCHEMBL11582284; DTXSID90298515; ZINC1713220; CCG-233208; MCULE-5498098907; NSC-123814"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123814	.	.	.	.	285.21	C13H7N3O5	124	443	3.1	21	1	6	0	"InChI=1S/C13H7N3O5/c17-14-13-11-5-7(15(18)19)1-3-9(11)10-4-2-8(16(20)21)6-12(10)13/h1-6,17H"	C1=CC2=C(C=C1[N+](=O)[O-])C(=NO)C3=C2C=CC(=C3)[N+](=O)[O-]	ASHANQNSFRKUPX-UHFFFAOYSA-N
DG51795	"2,2-dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide"	276258	MLS002707333; NSC123829; CHEMBL1734262; ZINC1713231; NSC-123829; SMR001574725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123829	.	.	.	.	448.1	C18H14Cl4N2O3	67.4	563	4.6	27	2	3	5	"InChI=1S/C18H14Cl4N2O3/c1-27-14-6-9-4-8-5-10(23-17(25)15(19)20)2-3-11(8)12(9)7-13(14)24-18(26)16(21)22/h2-3,5-7,15-16H,4H2,1H3,(H,23,25)(H,24,26)"	COC1=C(C=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl	KZWCRASEVNKSPS-UHFFFAOYSA-N
DG51796	3'-O-Methyl-evomonoside	276293	"3'-O-Methyl-evomonoside; NSC123976; 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; SCHEMBL22005898; NSC692996; NSC-123976; NSC-692996; NCI60_000562; Card-20(22)-enolide, (3.beta.,5.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123976	.	.	.	.	534.7	C30H46O8	115	968	2.1	38	3	8	4	"InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16 ,18-,19+,20-,21+,22-,24 ,25 ,26 ,27 ,28+,29-,30+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O	VPUNMTHWNSJUOG-VZCPFXLZSA-N
DG51797	Sarnovide	276294	"Sarnovide; Sarnovid; MLS002701979; NSC123977; 547-07-9; AKOS024434849; MCULE-9932124570; NSC-123977; NCI60_000563; SMR001565556; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,11.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123977	.	.	.	.	550.7	C30H46O9	135	1000	0.9	39	4	9	4	"InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-23(28)21(31)13-29(3)19(8-10-30(20,29)35)16-11-22(32)37-14-16/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3"	CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O	SOPZOCCINHAAOP-UHFFFAOYSA-N
DG51798	"4,5,6,7-tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one"	276306	"NSC123994; NSC-123994; NCIStruc1_000309; NCIStruc2_000277; CHEMBL1368628; ZINC3954364; CCG-36249; NCGC00014267; NCI123994; 4,5,6,7-tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one; NCGC00014267-02; NCGC00097376-01; NCI60_000565; 4,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobenzofuran-1(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	123994	.	.	.	.	608.3	C32H18Cl4O4	66.8	850	9.6	40	2	4	4	"InChI=1S/C32H18Cl4O4/c33-27-25-26(28(34)30(36)29(27)35)32(40-31(25)39,19-11-13-23(37)21(15-19)17-7-3-1-4-8-17)20-12-14-24(38)22(16-20)18-9-5-2-6-10-18/h1-16,37-38H"	C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O	MFSVBYYFRYCISY-UHFFFAOYSA-N
DG51799	Harringtonine	276389	"harringtonine; Harringtonin; 26833-85-2; 2'R-Harringtonine; NSC-124147; CHEBI:5626; UNII-088662H40F; NSC124147; Alkaloid C from cephalotaxus; 088662H40F; NSC 124147; harringtonine(8ci); 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) 4-methyl (R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)succinate; Harringtonine (8CI); ZJ-H; SCHEMBL138806; CHEMBL433257; Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester); DTXSID501016801; HY-N0862; BDBM50480315; s9063; ZINC29412110; CCG-269921; CS-3909; Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester) (9CI); AS-56357; NCI60_000568; TRANS-2-BUTENE-1,4-DICARBOXYLICACID; Q27106830; Cephalotaxine,3-[4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate]; 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate; 25302-09-4; Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))-; Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124147	.	.	.	.	531.6	C28H37NO9	124	953	0.5	38	2	10	10	"InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1"	CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HAVJATCHLFRDHY-KSZYUSJVSA-N
DG51800	NSC124232	276432	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoyl]benzenesulfonyl fluoride;ethanesulfonic acid; 25313-18-2; NSC124232; DTXSID00298561; NSC-124232; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy]butyl]carbamoyl]benzenesulfonyl fluoride (1:1) (8CI) (MF2); Ethanesulfonic acid--4-({4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butyl}carbamoyl)benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124232	.	.	.	.	635.1	C24H32ClFN6O7S2	224	1020	.	41	4	9	10	"InChI=1S/C22H26ClFN6O4S.C2H6O3S/c1-22(2)29-20(25)28-21(26)30(22)15-7-10-18(17(23)13-15)34-12-4-3-11-27-19(31)14-5-8-16(9-6-14)35(24,32)33;1-2-6(3,4)5/h5-10,13H,3-4,11-12H2,1-2H3,(H,27,31)(H4,25,26,28,29);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	ITBUXWUKJVGXMF-UHFFFAOYSA-N
DG51801	"4-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoxy]naphthalene-1,2-dione"	276502	NSC124499; ZINC1713755; NSC-124499	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124499	.	.	.	.	350.21	C15H8F6O3	43.4	569	3.7	24	0	9	3	"InChI=1S/C15H8F6O3/c16-14(17,18)12(15(19,20)21)5-6-24-11-7-10(22)13(23)9-4-2-1-3-8(9)11/h1-5,7H,6H2"	C1=CC=C2C(=C1)C(=CC(=O)C2=O)OCC=C(C(F)(F)F)C(F)(F)F	OOGQXVQTCYZOFF-UHFFFAOYSA-N
DG51802	"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate"	276608	NSC124749; CHEMBL1974494; NSC-124749	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124749	.	.	.	.	396.5	C25H32O4	52.6	857	4.4	29	0	4	5	"InChI=1S/C25H32O4/c1-6-25(29-17(3)27)14-11-22-20-8-7-18-15-19(28-16(2)26)9-12-23(18,4)21(20)10-13-24(22,25)5/h1,7,15,20-22H,8-14H2,2-5H3"	CC(=O)OC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C#C)OC(=O)C)C	CTTMENFEBDZXHA-UHFFFAOYSA-N
DG51803	S-Benzyl 4-methylbenzenesulfonothioate	276623	S-Benzyl 4-methylbenzenesulfonothioate; 16601-02-8; NSC124784; NSC 124784; 1-benzylsulfanylsulfonyl-4-methylbenzene; CHEMBL1995010; SCHEMBL11607679; DTXSID90168062; ZINC399337; AKOS000271212; S-BENZYL P-TOLUENETHIOSULFONATE; NSC-124784; 1-benzylsulfanylsulfonyl-4-methyl-benzene; NCI60_000579; p-Toluenethiosulfonic acid S-benzyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124784	.	.	.	.	278.4	C14H14O2S2	67.8	331	3.5	18	0	3	4	"InChI=1S/C14H14O2S2/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2	AJHXMWXYVYOBQI-UHFFFAOYSA-N
DG51804	"N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide"	276685	"MLS002701980; SMR001565557; NSC124994; N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide; cid_276685; SCHEMBL7955400; CHEMBL1704261; BDBM80757; ZINC1714195; NSC-124994; NCI60_000582; N-(3-chloro-1,4-diketo-2-naphthyl)butyramide; N-(3-chloro-1,4-dioxo-2-naphthalenyl)butanamide; Butanamide,4-dihydro-1,4-dioxonaphthalen- 2-yl)-; Naphthalen-1, 3-butanoylamino-2-chloro-1,4-dihydro-; N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	124994	.	.	.	.	277.7	C14H12ClNO3	63.2	456	2.5	19	1	3	3	"InChI=1S/C14H12ClNO3/c1-2-5-10(17)16-12-11(15)13(18)8-6-3-4-7-9(8)14(12)19/h3-4,6-7H,2,5H2,1H3,(H,16,17)"	CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl	QRIWUMQXJVSZPA-UHFFFAOYSA-N
DG51805	"2,2'-Disulfanediyldiquinolin-8-ol"	276707	"NSC125034; NSC-125034; CHEMBL239439; 8-Quinolinol, 2,2'-dithiobis-; NCIStruc1_001467; NCIStruc2_001671; SCHEMBL2534563; 2,2'-disulfanediyldiquinolin-8-ol; BDBM50198307; CCG-37229; NCGC00014270; NCI125034; ZINC37868596; NCGC00014270-02; NCGC00097379-01; NCI60_000583; 2-(8-hydroxyquinolin-2-yl)disulfanylquinolin-8-ol; 2-[(8-hydroxy-2-quinolyl)disulfanyl]quinolin-8-ol; 2-(2-(8-hydroxyquinolin-2-yl)disulfanyl)quinolin-8-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125034	.	.	.	.	352.4	C18H12N2O2S2	117	390	4.5	24	2	6	3	"InChI=1S/C18H12N2O2S2/c21-13-5-1-3-11-7-9-15(19-17(11)13)23-24-16-10-8-12-4-2-6-14(22)18(12)20-16/h1-10,21-22H"	C1=CC2=C(C(=C1)O)N=C(C=C2)SSC3=NC4=C(C=CC=C4O)C=C3	XHJJWLOYIZUQTP-UHFFFAOYSA-N
DG51806	4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide	276767	NSC125201; 5626-86-8; NSC-125201; NCIStruc1_001978; NCIStruc2_000695; CHEMBL1555189; DTXSID70971692; ZINC6021177; CCG-37608; NCGC00014273; NCI125201; MCULE-6345140455; NCGC00014273-02; NCGC00097382-01; NCI60_000589; 4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide; 4-(N'-Carbamimidoylcarbamimidamido)benzene-1-sulfonamide; 4-((((amino(imino)methyl)amino)(imino)methyl)amino)benzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125201	.	.	.	.	256.29	C8H12N6O2S	171	412	-1.5	17	4	4	3	"InChI=1S/C8H12N6O2S/c9-7(10)14-8(11)13-5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16)(H6,9,10,11,13,14)"	C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)N	BRYMGHBYJDJPIS-UHFFFAOYSA-N
DG51807	"6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine"	276876	"6-methyl-5-(4-phenylbutyl)pyrimidine-2,4-diamine; 1597-01-9; NSC125347; UNII-L06TDN89AB; 6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine; L06TDN89AB; NSC 125347; CHEMBL1977332; DTXSID20166713; NSC-125347; NCI60_000593"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125347	.	.	.	.	256.35	C15H20N4	77.8	253	3.2	19	2	4	5	"InChI=1S/C15H20N4/c1-11-13(14(16)19-15(17)18-11)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H4,16,17,18,19)"	CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=CC=C2	FNJDMUJSPSCFQC-UHFFFAOYSA-N
DG51808	NSC125348	276877	"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid; 25313-15-9; NSC125348; DTXSID40298681; NSC-125348; Ethanesulfonic acid--3-[({4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125348	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1050	.	42	5	9	10	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-22(2)30-19(25)29-20(26)31(22)15-8-9-18(17(23)13-15)35-11-4-3-10-27-21(32)28-14-6-5-7-16(12-14)36(24,33)34;1-2-6(3,4)5/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C	UWSSOUWBBVTGHS-UHFFFAOYSA-N
DG51809	"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol"	277027	NSC125511; CHEMBL2006897; NSC-125511	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125511	.	.	.	.	486.6	C22H38N4O8	190	442	.	34	3	9	14	"InChI=1S/C16H35NO.C6H3N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h16-18H,3-15H2,1-2H3;1-2,10H"	CCCCCCCCCCCCCNCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	ZCPXGKUKOMTVDP-UHFFFAOYSA-N
DG51810	"3,7-Diamino-4,6-dibromo-2-methoxyfluoren-9-one"	277056	MLS002919829; NSC125541; CHEMBL1885708; ZINC1714593; NSC-125541; SMR001797429	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125541	.	.	.	.	398.05	C14H10Br2N2O2	78.3	409	3.1	20	2	4	1	"InChI=1S/C14H10Br2N2O2/c1-20-10-4-7-11(12(16)13(10)18)5-2-8(15)9(17)3-6(5)14(7)19/h2-4H,17-18H2,1H3"	COC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C=C32)Br)N)Br)N	UCAXNBVCXYTFQK-UHFFFAOYSA-N
DG51811	"8-methoxy-3,9-dinitro-5H-phenanthridin-6-one"	277067	MLS002919837; NSC125552; CHEMBL2137981; ZINC16926715; NSC-125552; SMR001797437	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125552	.	.	.	.	315.24	C14H9N3O6	130	516	2.1	23	1	6	1	"InChI=1S/C14H9N3O6/c1-23-13-6-10-9(5-12(13)17(21)22)8-3-2-7(16(19)20)4-11(8)15-14(10)18/h2-6H,1H3,(H,15,18)"	COC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C2=C1)[N+](=O)[O-]	BQSWRNVGLGMTFD-UHFFFAOYSA-N
DG51812	NSC125844	277241	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid; 25313-06-8; NSC125844; DTXSID50298753; NSC-125844; DS-005236; 4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; Ethanesulfonic acid--4-[({3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]propyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125844	.	.	.	.	650.1	C24H33ClFN7O7S2	236	1060	.	42	5	9	9	"InChI=1S/C22H27ClFN7O4S.C2H6O3S/c1-13-11-14(5-8-18(13)36(24,33)34)28-21(32)27-9-4-10-35-17-7-6-15(12-16(17)23)31-20(26)29-19(25)30-22(31,2)3;1-2-6(3,4)5/h5-8,11-12H,4,9-10H2,1-3H3,(H2,27,28,32)(H4,25,26,29,30);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F	BXXPJERGGYGDPP-UHFFFAOYSA-N
DG51813	NSC125845	277243	"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid; NSC125845; NSC-125845"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	125845	.	.	.	.	627.5	C21H25Cl2FN6O7S2	224	1020	.	39	4	9	7	"InChI=1S/C19H19Cl2FN6O4S.C2H6O3S/c1-19(2)27-17(23)26-18(24)28(19)10-3-6-15(13(21)7-10)32-9-16(29)25-14-5-4-11(8-12(14)20)33(22,30)31;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	CXPPEAKWJYCICV-UHFFFAOYSA-N
DG51814	"3-[4-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	277387	NSC126228; NSC-126228	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126228	.	.	.	.	541.7	C23H32FN5O5S2	185	867	.	36	3	7	8	"InChI=1S/C21H26FN5O2S.C2H6O3S/c1-21(2)26-19(23)25-20(24)27(21)17-11-5-9-15(13-17)7-3-4-8-16-10-6-12-18(14-16)30(22,28)29;1-2-6(3,4)5/h5-6,9-14H,3-4,7-8H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)S(=O)(=O)F)N)N)C	IJKCUMMCYLPXPS-UHFFFAOYSA-N
DG51815	Diphenyl (hydroxy(phenyl)methyl)phosphonate	277714	52364-32-6; Diphenyl (hydroxy(phenyl)methyl)phosphonate; Diphenyl [hydroxy(phenyl)methyl]phosphonate; NSC126668; MLS001243490; CHEMBL1889696; DTXSID50298874; HMS2221D24; HMS3358I20; NSC-126668; SMR000841551; SR-01000852566; SR-01000852566-2	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126668	.	.	.	.	340.3	C19H17O4P	55.8	386	4	24	1	4	6	"InChI=1S/C19H17O4P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19-20H"	C1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3	LGWPZWRZPMNUGB-UHFFFAOYSA-N
DG51816	3-(Acetyloxy)card-20(22)-enolide	277743	5672-24-2; 3-(acetyloxy)card-20(22)-enolide; NSC126719; DTXSID50972167; NSC-126719	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126719	.	.	.	.	400.5	C25H36O4	52.6	741	5.5	29	0	4	3	"InChI=1S/C25H36O4/c1-15(26)29-18-8-10-24(2)17(13-18)4-5-19-21-7-6-20(16-12-23(27)28-14-16)25(21,3)11-9-22(19)24/h12,17-22H,4-11,13-14H2,1-3H3"	CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)C	KMGWMSOWTCODGN-UHFFFAOYSA-N
DG51817	Dichloroallyl lawsone	277767	"Dichloroallyl lawsone; Dichlorolapachol; Dichloroallyllawsone; Dichlorolawsone; 36417-16-0; Lawsone, dichlorallyl-; NSC 126771; NSC-126771; 2-Hydroxy-3-(3,3-dichloroallyl)-1,4-naphthoquinone; 1,4-Naphthoquinone, 2-(3,3-dichloroallyl)-3-hydroxy-; UNII-ZE2BI297KA; ZE2BI297KA; MLS002701983; CHEMBL1990817; 1,4-Naphthalenedione,2-(3,3-dichloro-2-propen-1-yl)-3-hydroxy-; 1,4-NAPHTHALENEDIONE, 2-(3,3-DICHLORO-2-PROPENYL)-3-HYDROXY-; NSC126771; BRN 1977648; NCIMech_000041; Dichloroallyl lawsone (DCL); 3-(3,3-Dichloroallyl)-2-hydroxy-1,4-naphthoquinone; CHEMBL1702849; SCHEMBL12127298; DTXSID60877371; 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione; BDBM50541634; CCG-35196; ZINC100590201; 1, 2-(3,3-dichloroallyl)-3-hydroxy-; NCI60_000616; SMR001565560; 2-OH NAPHTHOQUINONE,3(33DICLALLYL); 1, 2-(3,3-dichloro-2-propenyl)-3-hydroxy-; 2-(3,3-Dichloro-2-propenyl)-3-hydroxynaphthoquinone; 2-(3,3-dichloroallyl)-3-hydroxy-naphthalene-1,4-dione; 2-(3,3-Dichloro-2-propenyl)-3-hydroxy-1,4-naphthalenedione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126771	.	.	.	.	283.1	C13H8Cl2O3	54.4	447	3	18	1	3	2	"InChI=1S/C13H8Cl2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18/h1-4,6,16H,5H2"	C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O	LWQZLQISFLBSGW-UHFFFAOYSA-N
DG51818	DeazaUrd	277822	"DeazaUrd; MLS002919904; NSC126849; 2,4(1H,3H)-pyridinedione, 1-.beta.-D-ribofuranosyl-; ICN 1007; DAU; 39935-49-4; 1-pentofuranosylpyridine-2,4(1h,3h)-dione; NSC-126849; bmse000731; CHEMBL2004458; NCI60_000618; SMR001797503; 2,3H)-Pyridinedione, 1-.beta.-D-ribofuranosyl-; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126849	.	.	.	.	243.21	C10H13NO6	107	368	-1.6	17	3	6	2	"InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2"	C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O	WIRVQQCUKDPURA-UHFFFAOYSA-N
DG51819	4-methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide	277880	NSC126933; CHEMBL1981221; NSC-126933	.	.	Investigative Drug(s)	Investigative	Small molecular drug	126933	.	.	.	.	335.4	C15H17N3O4S	112	472	2.3	23	2	6	6	"InChI=1S/C15H17N3O4S/c1-12-7-9-14(10-8-12)23(21,22)17-16-15(11-18(19)20)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NNC(C[N+](=O)[O-])C2=CC=CC=C2	YBFMCODRHBETNK-UHFFFAOYSA-N
DG51820	"4-amino-1,3-dibromo-5H-phenanthridin-6-one"	278033	MLS002919924; NSC127128; CHEMBL2143726; ZINC8627886; NSC-127128; SMR001797523	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127128	.	.	.	.	368.02	C13H8Br2N2O	55.1	352	3.2	18	2	2	0	"InChI=1S/C13H8Br2N2O/c14-8-5-9(15)11(16)12-10(8)6-3-1-2-4-7(6)13(18)17-12/h1-5H,16H2,(H,17,18)"	C1=CC=C2C(=C1)C3=C(C(=C(C=C3Br)Br)N)NC2=O	HDFRODLERVAMAX-UHFFFAOYSA-N
DG51821	"6-(1,3-Benzodioxol-5-ylmethyl)benzo[d][2]benzazepine-5,7-dione"	278035	MLS002919925; 27022-18-0; NSC127130; Oprea1_051803; CHEMBL1973190; DTXSID90298959; ZINC1715670; NSC-127130; NCI60_000619; SMR001797524	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127130	.	.	.	.	357.4	C22H15NO4	55.8	559	3.8	27	0	4	2	"InChI=1S/C22H15NO4/c24-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)22(25)23(21)12-14-9-10-19-20(11-14)27-13-26-19/h1-11H,12-13H2"	C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C5=CC=CC=C5C3=O	GBBSJVJKJAPRFA-UHFFFAOYSA-N
DG51822	"3-amino-2,8-dichloro-5H-phenanthridin-6-one"	278044	NSC127140; CHEMBL1977883; ZINC8627889; NSC-127140	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127140	.	.	.	.	279.12	C13H8Cl2N2O	55.1	352	3	18	2	2	0	"InChI=1S/C13H8Cl2N2O/c14-6-1-2-7-8-4-10(15)11(16)5-12(8)17-13(18)9(7)3-6/h1-5H,16H2,(H,17,18)"	C1=CC2=C(C=C1Cl)C(=O)NC3=CC(=C(C=C23)Cl)N	HMNIKNJZNATMSI-UHFFFAOYSA-N
DG51823	"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	278058	"31368-57-7; NSC127157; DTXSID60298966; NSC-127157; Ethanesulfonic acid--3-chloro-4-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127157	.	.	.	.	576.1	C23H31ClFN5O5S2	185	903	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-9-5-7-14(12-16)6-3-4-8-15-10-11-17(13-18(15)22)31(23,29)30;1-2-6(3,4)5/h5,7,9-13H,3-4,6,8H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C	NEPRICDFKCWBJJ-UHFFFAOYSA-N
DG51824	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	278062	"31368-56-6; NSC127159; DTXSID80298968; NSC-127159; Ethanesulfonic acid--4-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127159	.	.	.	.	576.1	C23H31ClFN5O5S2	185	895	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-10-9-15(18(22)13-16)6-4-3-5-14-7-11-17(12-8-14)31(23,29)30;1-2-6(3,4)5/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	GHBCEECNIZMRMK-UHFFFAOYSA-N
DG51825	Flavacol	278143	"FLAVACOL; 495-98-7; 3,6-Diisobutylpyrazin-2(1H)-one; 3,6-bis(2-methylpropyl)-1H-pyrazin-2-one; NSC127442; Pyrazinol,6-diisobutyl-; CHEMBL1965563; SCHEMBL16431613; DTXSID30299001; 2(1H)-Pyrazinone,6-diisobutyl-; 3,6-diisobutyl-2(1h)-pyrazinone; ZINC8627899; NSC-127442; BS-51546; NCI60_000623; 2(1H)-Pyrazinone,6-bis(2-methylpropyl)-; E76980"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127442	.	.	.	.	208.3	C12H20N2O	41.5	301	2.1	15	1	2	4	"InChI=1S/C12H20N2O/c1-8(2)5-10-7-13-11(6-9(3)4)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15)"	CC(C)CC1=CN=C(C(=O)N1)CC(C)C	UYYRKEKHAYEACU-UHFFFAOYSA-N
DG51826	"1-(3-Butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione"	278252	NSC127627; ZINC4830758; NSC-127627	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127627	.	.	.	.	449.5	C25H23NO5S	109	806	5.5	32	2	6	6	"InChI=1S/C25H23NO5S/c1-3-4-13-32(30,31)21-14-16(10-9-15(21)2)26-19-11-12-20(27)23-22(19)24(28)17-7-5-6-8-18(17)25(23)29/h5-12,14,26-27H,3-4,13H2,1-2H3"	CCCCS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)C	SOTNWEUZNKFXGN-UHFFFAOYSA-N
DG51827	"Methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate"	278267	"38288-46-9; methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate; NSC127680; DTXSID20299035; ZINC1716372; NSC-127680"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127680	.	.	.	.	280.27	C17H12O4	44.8	410	4.1	21	0	4	2	"InChI=1S/C17H12O4/c1-19-17(18)13-8-10-4-2-3-5-11(10)15-12(13)6-7-14-16(15)21-9-20-14/h2-8H,9H2,1H3"	COC(=O)C1=CC2=CC=CC=C2C3=C1C=CC4=C3OCO4	IWENRJHTKYJGKC-UHFFFAOYSA-N
DG51828	"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid"	278273	"38288-44-7; phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid; NSC127687; DTXSID40299037; ZINC1716378; NSC-127687"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127687	.	.	.	.	266.25	C16H10O4	55.8	396	3.8	20	1	4	1	"InChI=1S/C16H10O4/c17-16(18)12-7-9-3-1-2-4-10(9)14-11(12)5-6-13-15(14)20-8-19-13/h1-7H,8H2,(H,17,18)"	C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)C(=O)O	DPHBABDLCQBJHS-UHFFFAOYSA-N
DG51829	"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione"	278295	"NSC127712; 28360-61-4; 4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione; NSC 127712; 4-[(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)methyl]piperidine-2,6-dione; CHEMBL2001007; NSC-127712; NCI60_000630"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	127712	.	.	.	.	288.34	C15H20N4O2	98	412	0.7	21	2	5	2	"InChI=1S/C15H20N4O2/c1-8-3-2-4-10-11(17-15(16)19-14(8)10)5-9-6-12(20)18-13(21)7-9/h8-9H,2-7H2,1H3,(H2,16,17,19)(H,18,20,21)"	CC1CCCC2=C(N=C(N=C12)N)CC3CC(=O)NC(=O)C3	OIEQXIBBHRIICG-UHFFFAOYSA-N
DG51830	"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione"	278502	"MLS002919981; 58413-48-2; 2-(4-nitrophenyl)-1,3-dioxane-4,6-dione; NSC128177; SCHEMBL6175110; CHEMBL1904947; DTXSID60299094; ZINC1716754; NSC-128177; SMR001797580"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128177	.	.	.	.	237.17	C10H7NO6	98.4	325	1.4	17	0	6	1	"InChI=1S/C10H7NO6/c12-8-5-9(13)17-10(16-8)6-1-3-7(4-2-6)11(14)15/h1-4,10H,5H2"	C1C(=O)OC(OC1=O)C2=CC=C(C=C2)[N+](=O)[O-]	WEFBPMUAXMHMIL-UHFFFAOYSA-N
DG51831	NSC128186	278507	"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-54-4; NSC128186; DTXSID40299097; NSC-128186; Ethanesulfonic acid--5-chloro-2-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128186	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)16-10-8-13(17(23)12-16)5-3-4-6-14-7-9-15(22)11-18(14)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	FURZNMVXZOZPJF-UHFFFAOYSA-N
DG51832	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid"	278509	NSC128187; NSC-128187	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128187	.	.	.	.	608.1	C23H31ClFN5O7S2	204	932	.	39	3	9	10	"InChI=1S/C21H25ClFN5O4S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)14-5-10-18(17(22)13-14)32-12-4-3-11-31-15-6-8-16(9-7-15)33(23,29)30;1-2-6(3,4)5/h5-10,13H,3-4,11-12H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C	JHXDQJJJAKQCFS-UHFFFAOYSA-N
DG51833	"Dimethyl 2-bromo-2-(1,2,3-tribromo-3-phenylpropyl)propanedioate"	278524	NSC128206; NSC-128206	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128206	.	.	.	.	565.9	C14H14Br4O4	52.6	382	4.8	22	0	4	8	"InChI=1S/C14H14Br4O4/c1-21-12(19)14(18,13(20)22-2)11(17)10(16)9(15)8-6-4-3-5-7-8/h3-7,9-11H,1-2H3"	COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)(C(=O)OC)Br	HYXIJNKPCLPKQG-UHFFFAOYSA-N
DG51834	Aracytidine 5'-O-phenylphosphate	278572	"17489-61-1; Aracytidine 5'-O-phenylphosphate; CHEMBL1969245; DTXSID40938595; NSC128280; NSC-128280; 2(1H)-Pyrimidinone, 4-amino-1-[5-O-(hydroxyphenoxyphosphinyl)-.beta.-D-arabinofuranosyl]-; Cytosinearabinoside 5'-O-phenylphosphate; Cytosine, 5'-(phenyl hydrogen phosphate); NCI60_000643; 1-{5-O-[Hydroxy(phenoxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128280	.	.	.	.	399.29	C15H18N3O8P	164	665	-1.1	27	4	8	6	"InChI=1S/C15H18N3O8P/c16-11-6-7-18(15(21)17-11)14-13(20)12(19)10(25-14)8-24-27(22,23)26-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H2,16,17,21)"	C1=CC=C(C=C1)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O	FQZYOGSMSNNTQL-UHFFFAOYSA-N
DG51835	NSC128571	278692	"2-Chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-51-1; NSC128571; DTXSID00299159; NSC-128571; Ethanesulfonic acid--2-chloro-5-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128571	.	.	.	.	610.6	C23H30Cl2FN5O5S2	185	938	.	38	3	7	8	"InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)15-9-8-14(17(23)12-15)6-4-3-5-13-7-10-16(22)18(11-13)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	LOHXMZMTXDOGRC-UHFFFAOYSA-N
DG51836	1-chloro-2-nitro-5H-phenanthridin-6-one	278740	NSC128635; CHEMBL2003089; ZINC8627963; NSC-128635	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128635	.	.	.	.	274.66	C13H7ClN2O3	74.9	398	2.9	19	1	3	0	"InChI=1S/C13H7ClN2O3/c14-12-10(16(18)19)6-5-9-11(12)7-3-1-2-4-8(7)13(17)15-9/h1-6H,(H,15,17)"	C1=CC=C2C(=C1)C3=C(C=CC(=C3Cl)[N+](=O)[O-])NC2=O	CDVPJXNXZHJRIO-UHFFFAOYSA-N
DG51837	"2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate"	278767	"NSC128687; 25878-33-5; NSC-128687; 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate; CHEMBL1993126; SCHEMBL13183068; DTXSID10948762; NCI60_000651; 6H-Furo[2',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6-imino-2,3,3a,9a-tetrahydro-3-hydroxy-, 3-(dihydrogen phosphate); 6H-Furo[2',5]oxazolo[3,2-a]pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-6-imino-3-(phosphonooxy)-, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128687	.	.	.	.	305.18	C9H12N3O7P	145	544	-4	20	4	8	3	"InChI=1S/C9H12N3O7P/c10-5-1-2-12-8-7(18-9(12)11-5)6(4(3-13)17-8)19-20(14,15)16/h1-2,4,6-8,10,13H,3H2,(H2,14,15,16)"	C1=CN2C3C(C(C(O3)CO)OP(=O)(O)O)OC2=NC1=N	MHEIPMMGYDKOAW-UHFFFAOYSA-N
DG51838	"[1]Benzothieno[3,2-h]isoquinoline"	278923	"[1]Benzothieno[3,2-h]isoquinoline; 23985-83-3; Benzo[4,5]thieno[3,2-h]isoquinoline; NSC128877; CHEMBL2003681; SCHEMBL15903438; DTXSID40946837; ZINC13284391; NSC-128877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128877	.	.	.	.	235.31	C15H9NS	41.1	293	4.5	17	0	2	0	InChI=1S/C15H9NS/c1-2-4-14-11(3-1)12-6-5-10-7-8-16-9-13(10)15(12)17-14/h1-9H	C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CN=C4	DLIRCADEYLIGEJ-UHFFFAOYSA-N
DG51839	"Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro-ethyl)amino]-"	278929	"MLS002920028; Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethyl)amino]-; NSC128887; CHEMBL1891517; ZINC1717234; NSC-128887; SMR001797627"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128887	.	.	.	.	393.3	C21H26Cl2N2O	32.299	374	2.9	26	1	2	11	"InChI=1S/C21H26Cl2N2O/c22-13-15-25(16-14-23)20-11-9-18(10-12-20)7-4-8-21(26)24-17-19-5-2-1-3-6-19/h1-3,5-6,9-12H,4,7-8,13-17H2,(H,24,26)"	C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl	OJZUKCOMYQAOMB-UHFFFAOYSA-N
DG51840	"1-(4-fluorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	278937	NSC128895; Neuro_000063; CHEMBL2001604; ZINC1717244; NSC-128895; NCI60_000655	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128895	.	.	.	.	328.4	C22H17FN2	28.2	524	5.2	25	1	2	1	"InChI=1S/C22H17FN2/c1-13-16-10-11-24-22(14-6-8-15(23)9-7-14)18(16)12-19-17-4-2-3-5-20(17)25-21(13)19/h2-9,12,25H,10-11H2,1H3"	CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)F)C5=CC=CC=C5N2	CXYGJCRYQFSCFA-UHFFFAOYSA-N
DG51841	"N-[3-(4-chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide"	279002	NSC128981; SCHEMBL2599388; CHEMBL1972311; ZINC1870184; NSC-128981; NCI60_000657	.	.	Investigative Drug(s)	Investigative	Small molecular drug	128981	.	.	.	.	357.8	C18H12ClNO3S	88.5	581	3.7	24	1	4	3	"InChI=1S/C18H12ClNO3S/c1-10(21)20-15-16(22)13-4-2-3-5-14(13)17(23)18(15)24-12-8-6-11(19)7-9-12/h2-9H,1H3,(H,20,21)"	CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)Cl	BNMBDUXYBKOILC-UHFFFAOYSA-N
DG51842	"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione"	279093	"92491-19-5; 3-(4-methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione; NSC129266; CHEMBL1982415; DTXSID40919147; ZINC31689031; NSC-129266; NCI60_000661"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129266	.	.	.	.	254.4	C11H14N2OS2	73.1	254	2.8	16	0	4	2	"InChI=1S/C11H14N2OS2/c1-12-7-13(11(15)16-8-12)9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3"	CN1CN(C(=S)SC1)C2=CC=C(C=C2)OC	GPIXDVXNSJYMGF-UHFFFAOYSA-N
DG51843	"(3Ar,4r,4as,8r,8ar,9as)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl acetate"	279214	"Cyclopyrethrosin; 22553-66-8; NSC129518; (3ar,4r,4as,8r,8ar,9as)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl acetate; CHEMBL1986008; DTXSID70299343; NSC-129518; NCI60_000668"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129518	.	.	.	.	306.4	C17H22O5	72.8	565	1.6	22	1	5	2	"InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11-13(9(2)16(20)22-11)15(14(8)17)21-10(3)18/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12+,13+,14+,15-,17-/m0/s1"	CC(=O)O[C@H]1[C@H]2[C@H](C[C@@]3([C@@H]1C(=C)CC[C@H]3O)C)OC(=O)C2=C	IGJIZPZJCAPPBP-YQCBVSTRSA-N
DG51844	"2-Phenylpyrazino[2,3-b]quinoxaline"	279245	"80102-43-8; 2-phenylpyrazino[2,3-b]quinoxaline; NSC129585; CHEMBL1966744; DTXSID80299354; ZINC1870433; NSC-129585"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129585	.	.	.	.	258.279	C16H10N4	51.6	328	2.8	20	0	4	1	InChI=1S/C16H10N4/c1-2-6-11(7-3-1)14-10-17-15-16(20-14)19-13-9-5-4-8-12(13)18-15/h1-10H	C1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N=C2	ILVJSCIBHRYTMB-UHFFFAOYSA-N
DG51845	"2-Chloro-5-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	279319	"31368-59-9; NSC129794; DTXSID00299371; NSC-129794; Ethanesulfonic acid--2-chloro-5-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129794	.	.	.	.	576.1	C23H31ClFN5O5S2	185	903	.	37	3	7	8	"InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-9-5-8-14(12-16)6-3-4-7-15-10-11-17(22)18(13-15)31(23,29)30;1-2-6(3,4)5/h5,8-13H,3-4,6-7H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)N)N)C	FSPCDJMMRJMTRK-UHFFFAOYSA-N
DG51846	Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate	279421	23465-05-6; NSC129922; CHEMBL1971215; DTXSID10946142; NSC-129922; 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-3-[(triphenylmethyl)sulfanyl]propanimidato	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129922	.	.	.	.	598.7	C34H34N2O6S	139	817	5.4	43	3	7	15	"InChI=1S/C34H34N2O6S/c1-41-32(39)29(22-37)35-31(38)30(36-33(40)42-23-25-14-6-2-7-15-25)24-43-34(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30,37H,22-24H2,1H3,(H,35,38)(H,36,40)"	COC(=O)C(CO)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4	URGKCDLCQYUTLA-UHFFFAOYSA-N
DG51847	2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid	279422	NSC129925; CHEMBL1991454; NSC-129925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	129925	.	.	.	.	273.33	C16H19NO3	69.6	332	4.1	20	3	4	5	"InChI=1S/C16H19NO3/c1-10(2)9-13(16(19)20)17-15-12-6-4-3-5-11(12)7-8-14(15)18/h3-8,10,13,17-18H,9H2,1-2H3,(H,19,20)"	CC(C)CC(C(=O)O)NC1=C(C=CC2=CC=CC=C21)O	RBPGXFHOIUGOGZ-UHFFFAOYSA-N
DG51848	NSC130227	279528	"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31368-41-9; NSC130227; DTXSID60953407; NSC-130227; Ethanesulfonic acid--5-chloro-2-{2-[2-chloro-4-(4,6-diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]ethyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130227	.	.	.	.	582.5	C21H26Cl2FN5O5S2	185	907	.	36	3	7	6	"InChI=1S/C19H20Cl2FN5O2S.C2H6O3S/c1-19(2)26-17(23)25-18(24)27(19)14-8-6-11(15(21)10-14)3-4-12-5-7-13(20)9-16(12)30(22,28)29;1-2-6(3,4)5/h5-10H,3-4H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C	XPYCIEZOJIEUKS-UHFFFAOYSA-N
DG51849	"8-Aminoquinoline-5,6-dione"	279596	"8-aminoquinoline-5,6-dione; 49797-49-1; MLS002920059; SMR001797657; 8-Amino-5,6-quinolinedione; NSC130785; 8-azanylquinoline-5,6-dione; SCHEMBL459004; 8-aminoquinoline-5,6-quinone; CHEMBL156174; cid_279596; 8-[Amino]quinoline-5,6-dione; BDBM91515; DTXSID70299444; ZINC100487146; NSC-130785"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130785	.	.	.	.	174.16	C9H6N2O2	73	296	-0.5	13	1	4	0	"InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4H,10H2"	C1=CC2=C(C(=CC(=O)C2=O)N)N=C1	WIPMQCOMGHCENO-UHFFFAOYSA-N
DG51850	2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid	279600	NSC130789; CHEMBL1991194; NSC-130789	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130789	.	.	.	.	352.22	C13H22BrNO5	94.9	265	.	20	2	6	3	"InChI=1S/C11H20BrNO.C2H2O4/c1-13(2)8-9-6-4-3-5-7-10(12)11(9)14;3-1(4)2(5)6/h9-10H,3-8H2,1-2H3;(H,3,4)(H,5,6)"	CN(C)CC1CCCCCC(C1=O)Br.C(=O)(C(=O)O)O	WEBBBOSZQRICEM-UHFFFAOYSA-N
DG51851	7-[(8-Hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol	279605	"NSC130796; 76289-30-0; NSC-130796; 7-[(8-hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol; NCIStruc1_001351; NCIStruc2_001911; CHEMBL1325408; SCHEMBL13856945; DTXSID50299447; ZINC1717575; CCG-37231; NCGC00014299; NCI130796; NCGC00014299-02; NCGC00097408-01; NCI60_000675; 7,7'-methylenebis(5-nitroquinolin-8-ol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130796	.	.	.	.	392.3	C19H12N4O6	158	573	3.3	29	2	8	2	"InChI=1S/C19H12N4O6/c24-18-10(8-14(22(26)27)12-3-1-5-20-16(12)18)7-11-9-15(23(28)29)13-4-2-6-21-17(13)19(11)25/h1-6,8-9,24-25H,7H2"	C1=CC2=C(C=C(C(=C2N=C1)O)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-])[N+](=O)[O-]	IDLYRQLIMDZRHY-UHFFFAOYSA-N
DG51852	2-[[(6-Methoxyquinolin-8-yl)amino]methyl]phenol	279609	MLS000738207; SMR000528574; 2-[[(6-methoxyquinolin-8-yl)amino]methyl]phenol; 2-{[(6-methoxyquinolin-8-yl)amino]methyl}phenol; NSC130801; cid_279609; CHEMBL1477589; BDBM81110; HMS2885P18; ZINC1717579; NSC-130801; 2-[[(6-methoxy-8-quinolyl)amino]methyl]phenol; 2-[[(6-methoxy-8-quinolinyl)amino]methyl]phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130801	.	.	.	.	280.32	C17H16N2O2	54.4	326	3.3	21	2	4	4	"InChI=1S/C17H16N2O2/c1-21-14-9-12-6-4-8-18-17(12)15(10-14)19-11-13-5-2-3-7-16(13)20/h2-10,19-20H,11H2,1H3"	COC1=CC(=C2C(=C1)C=CC=N2)NCC3=CC=CC=C3O	CXGNSWUILAKOTG-UHFFFAOYSA-N
DG51853	5-((Benzylamino)methyl)-8-quinolinol	279623	NSC130830; NSC-130830; NCIStruc1_000652; NCIStruc2_000935; CHEMBL476672; SCHEMBL2514842; CCG-37488; NCGC00014301; NCI130830; ZINC31689272; 5-((benzylamino)methyl)-8-quinolinol; NCGC00014301-02; NCGC00097410-01; NCI60_000677	.	.	Investigative Drug(s)	Investigative	Small molecular drug	130830	.	.	.	.	264.32	C17H16N2O	45.2	291	2.9	20	2	3	4	"InChI=1S/C17H16N2O/c20-16-9-8-14(15-7-4-10-19-17(15)16)12-18-11-13-5-2-1-3-6-13/h1-10,18,20H,11-12H2"	C1=CC=C(C=C1)CNCC2=C3C=CC=NC3=C(C=C2)O	CKFSZNNHRZDPJV-UHFFFAOYSA-N
DG51854	NSC131020	279748	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid; 31000-02-9; NSC131020; DTXSID30299480; NSC-131020; Ethanesulfonic acid--2-chloro-4-{[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl}benzene-1-sulfonyl fluoride (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131020	.	.	.	.	584.5	C20H24Cl2FN5O6S2	195	909	.	36	3	8	6	"InChI=1S/C18H18Cl2FN5O3S.C2H6O3S/c1-18(2)25-16(22)24-17(23)26(18)11-4-5-14(12(19)8-11)29-9-10-3-6-15(13(20)7-10)30(21,27)28;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C	MLGKZNKZCKWMGK-UHFFFAOYSA-N
DG51855	"Tert-butyl 3,3-bis(phenylsulfonyl)propanoate"	279782	"tert-butyl 3,3-bis(phenylsulfonyl)propanoate; MLS002920080; 39837-29-1; SMR001797677; tert-butyl 3,3-bis(benzenesulfonyl)propanoate; NSC131064; cid_279782; CHEMBL1895598; BDBM83851; DTXSID20299494; ZINC1717863; NSC-131064; 3,3-dibesylpropionic acid tert-butyl ester; 3,3-bis(benzenesulfonyl)propanoic acid tert-butyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131064	.	.	.	.	410.5	C19H22O6S2	111	647	3.1	27	0	6	8	"InChI=1S/C19H22O6S2/c1-19(2,3)25-17(20)14-18(26(21,22)15-10-6-4-7-11-15)27(23,24)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3"	CC(C)(C)OC(=O)CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2	YNHBIXOJTJRVCJ-UHFFFAOYSA-N
DG51856	N-[2-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide	279886	NSC131184; CHEMBL1980756; ZINC4962466; NSC-131184	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131184	.	.	.	.	311.22	C13H8F3N3O3	87.8	425	3	22	1	7	2	"InChI=1S/C13H8F3N3O3/c14-13(15,16)9-3-4-10(11(6-9)19(21)22)18-12(20)8-2-1-5-17-7-8/h1-7H,(H,18,20)"	C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	DULNYMNWPPXKON-UHFFFAOYSA-N
DG51857	[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine	279924	MLS002701991; SMR001565568; 27117-06-2; NSC131238; CHEMBL1723919; CHEMBL1974787; DTXSID90421780; cid_45280985; BDBM100260; ZINC16932199; ZINC95548124; NSC-131238; [(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine; N-[(E)-[3-methyl-5-(trifluoromethyl)-4-pyrazolylidene]amino]-4-morpholinamine; N-[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]morpholin-4-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131238	.	.	.	.	263.22	C9H12F3N5O	65.9	305	1.8	18	1	8	2	"InChI=1S/C9H12F3N5O/c1-6-7(8(15-13-6)9(10,11)12)14-16-17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,15)"	CC1=C(C(=NN1)C(F)(F)F)N=NN2CCOCC2	ZCMKKFLZOGVHPV-UHFFFAOYSA-N
DG51858	methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate	279936	NSC131250; CHEMBL1995416; ZINC18205977; ZINC104119153; NSC-131250; NCI60_000687	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131250	.	.	.	.	250.26	C10H14N6O2	107	363	1.2	18	1	7	6	"InChI=1S/C10H14N6O2/c1-7-8(9(13-12-7)10(17)18-3)14-15-16(2)6-4-5-11/h4,6H2,1-3H3,(H,12,13)"	CC1=C(C(=NN1)C(=O)OC)N=NN(C)CCC#N	XZUIPIGSXPBROB-UHFFFAOYSA-N
DG51859	4-(dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide	279947	NSC131261; CHEMBL1991972; ZINC17820935; ZINC104119231; NSC-131261; NCI60_000689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131261	.	.	.	.	224.26	C9H16N6O	99.7	277	1.3	16	2	5	4	"InChI=1S/C9H16N6O/c1-5(2)6-7(13-14-15(3)4)8(9(10)16)12-11-6/h5H,1-4H3,(H2,10,16)(H,11,12)"	CC(C)C1=C(C(=NN1)C(=O)N)N=NN(C)C	CZBJUVCJXXZKSJ-UHFFFAOYSA-N
DG51860	4-(dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide	279948	NSC131262; CHEMBL1978696; ZINC16932306; ZINC104119239; NSC-131262; NCI60_000690	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131262	.	.	.	.	224.26	C9H16N6O	99.7	267	1.3	16	2	5	5	"InChI=1S/C9H16N6O/c1-4-5-6-7(13-14-15(2)3)8(9(10)16)12-11-6/h4-5H2,1-3H3,(H2,10,16)(H,11,12)"	CCCC1=C(C(=NN1)C(=O)N)N=NN(C)C	IIZWDQFXSNNCGH-UHFFFAOYSA-N
DG51861	4-(dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide	279949	NSC131263; CHEMBL1969345; ZINC18192150; ZINC104119241; NSC-131263; NCI60_000691	.	.	Investigative Drug(s)	Investigative	Small molecular drug	131263	.	.	.	.	210.24	C8H14N6O	99.7	254	0.9	15	2	5	4	"InChI=1S/C8H14N6O/c1-4-5-6(12-13-14(2)3)7(8(9)15)11-10-5/h4H2,1-3H3,(H2,9,15)(H,10,11)"	CCC1=C(C(=NN1)C(=O)N)N=NN(C)C	ITDFAZXRTGZMBY-UHFFFAOYSA-N
DG51862	Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate	280453	17272-99-0; methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate; NSC132095; DTXSID70299686; ZINC1719537; NSC-132095	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132095	.	.	.	.	411.3	C19H20Cl2N2O4	67.9	459	4.2	27	1	5	10	"InChI=1S/C19H20Cl2N2O4/c1-26-18(24)14-2-4-15(5-3-14)22-19(25)27-17-8-6-16(7-9-17)23(12-10-20)13-11-21/h2-9H,10-13H2,1H3,(H,22,25)"	COC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl	KSJTZCVYIBPJOW-UHFFFAOYSA-N
DG51863	(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium	280491	"NSC132230; NSC-132230; 26319-80-2; NCIStruc1_001353; NCIStruc2_001688; CHEMBL1396236; DTXSID80299697; NCGC00014316; NCI132230; ZINC104120735; NCGC00014316-02; NCGC00097425-01; NCI60_000710; 1-hydroxy-1,2-bis(7-methoxy-9H-fluoren-2-yl)-15-diazene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132230	.	.	.	.	434.5	C28H22N2O3	59.6	728	6.3	33	0	4	4	"InChI=1S/C28H22N2O3/c1-32-23-5-9-27-19(15-23)11-17-13-21(3-7-25(17)27)29-30(31)22-4-8-26-18(14-22)12-20-16-24(33-2)6-10-28(20)26/h3-10,13-16H,11-12H2,1-2H3"	COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]	RRRRLIBKNAGCTJ-UHFFFAOYSA-N
DG51864	"Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1)"	280518	"MLS002920147; NSC132275; CHEMBL1883266; NSC-132275; SMR001797744; Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1); Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1); Ethanesulfonic acid,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-N-phenylacetamide (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132275	.	.	.	.	511	C21H27ClN6O5S	181	737	.	34	4	6	6	"InChI=1S/C19H21ClN6O2.C2H6O3S/c1-19(2)25-17(21)24-18(22)26(19)13-8-9-15(14(20)10-13)28-11-16(27)23-12-6-4-3-5-7-12;1-2-6(3,4)5/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)Cl)N)N)C	DXYCOKAYFVIPKM-UHFFFAOYSA-N
DG51865	"1-[3-Chloro-4-(2-phenylethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid"	280520	"NSC132276; NSC-132276; Ethanesulfonic acid,6-diamino-1-(3-chloro-4-phenethylphenyl)-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132276	.	.	.	.	466	C21H28ClN5O3S	143	629	.	31	3	4	5	"InChI=1S/C19H22ClN5.C2H6O3S/c1-19(2)24-17(21)23-18(22)25(19)15-11-10-14(16(20)12-15)9-8-13-6-4-3-5-7-13;1-2-6(3,4)5/h3-7,10-12H,8-9H2,1-2H3,(H4,21,22,23,24);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C	PJALPVZOEKEDNL-UHFFFAOYSA-N
DG51866	"Ethanesulfonic acid-4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1)"	280526	"31368-47-5; NSC132279; ethanesulfonic acid- 4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1); CHEMBL1983129; DTXSID60299711; NSC-132279"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132279	.	.	.	.	569.7	C25H36FN5O5S2	185	882	.	38	3	7	10	"InChI=1S/C23H30FN5O2S.C2H6O3S/c1-23(2)28-21(25)27-22(26)29(23)19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(16-12-18)32(24,30)31;1-2-6(3,4)5/h9-16H,3-8H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C	BXJIWPORCRDALH-UHFFFAOYSA-N
DG51867	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione"	280615	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione; 61895-37-2; 7-bromo-6-methoxy-2-methylquinoline-5,8-dione; MLS002920162; NSC132492; UNII-39B2676EQC; 39B2676EQC; SMR001797759; NSC 132492; cid_280615; CHEMBL1707222; BDBM81271; DTXSID80210908; ZINC1719691; NSC-132492; NCI60_000717; 7-bromo-6-methoxy-2-methyl-quinoline-5,8-dione; 7-bromanyl-6-methoxy-2-methyl-quinoline-5,8-dione; 7-bromo-6-methoxy-2-methyl-quinoline-5,8-quinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132492	.	.	.	.	282.09	C11H8BrNO3	56.3	377	2.2	16	0	4	1	"InChI=1S/C11H8BrNO3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,1-2H3"	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Br)OC	XEGBXQGPUKNRNM-UHFFFAOYSA-N
DG51868	"7-Amino-6-methoxy-2-methyl-5,8-quinolinedione"	280616	"61895-38-3; NSC132493; 7-Amino-6-methoxy-2-methyl-5,8-quinolinedione; 7-amino-6-methoxy-2-methylquinoline-5,8-dione; MLS002701994; UNII-GMO1Z5C7GU; GMO1Z5C7GU; SMR001565571; NSC 132493; NCIMech_000081; cid_280616; SCHEMBL5925143; CHEMBL1702473; BDBM81245; DTXSID40210909; 5, 7-amino-6-methoxy-2-methyl-; ZINC4963598; CCG-35197; NSC-132493; NCI60_000718; 7-amino-6-methoxy-2-methyl-quinoline-5,8-dione; 7-azanyl-6-methoxy-2-methyl-quinoline-5,8-dione; SR-01000879488; 7-amino-6-methoxy-2-methyl-quinoline-5,8-quinone; SR-01000879488-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	132493	.	.	.	.	218.21	C11H10N2O3	82.3	375	0.8	16	1	5	1	"InChI=1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3"	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC	FKAAKWCKLUDXOB-UHFFFAOYSA-N
DG51869	"Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	280859	"MLS000738223; NSC133071; CHEMBL1345159; HMS2886F16; CCG-102473; NSC-133071; SMR000528584; Ethanesulfonic acid, compd. with 4,6-diamino-1-[3-chloro-4- (3-phenoxypropoxy)phenyl]-1, 2-dihydro-2,2-dimethyl-s-triazine (1:1); Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133071	.	.	.	.	512	C22H30ClN5O5S	161	682	.	34	3	6	8	"InChI=1S/C20H24ClN5O2.C2H6O3S/c1-20(2)25-18(22)24-19(23)26(20)14-9-10-17(16(21)13-14)28-12-6-11-27-15-7-4-3-5-8-15;1-2-6(3,4)5/h3-5,7-10,13H,6,11-12H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C	FRSSRWCJBPVFBD-UHFFFAOYSA-N
DG51870	"3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-(m-tolyl)propanamide"	280862	"NSC133072; CHEMBL1906845; SCHEMBL16100648; ZINC16951319; Ethanesulfonic acid, compd. with benzenepropanamide der. (1:1); 3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-(m-tolyl)propanamide; Benzenepropanamide, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-(3-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133072	.	.	.	.	378.5	C21H26N6O	109	620	1.9	28	3	2	5	"InChI=1S/C21H26N6O/c1-14-5-4-6-16(13-14)24-18(28)12-9-15-7-10-17(11-8-15)27-20(23)25-19(22)26-21(27,2)3/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,28)(H4,22,23,25,26)"	CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N	VORVOXAAGXTFNZ-UHFFFAOYSA-N
DG51871	"2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol"	280898	"NSC133118; 28279-62-1; MLS002920190; 2-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-beta-D-ribofuranosyl-; NSC-133118; CHEMBL1893228; DTXSID90299840; 2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-; NCI60_000730; SMR001797787; {2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine,} 2--D-ribofuranosyl-; 2H-1,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133118	.	.	.	.	268.23	C9H12N6O4	152	336	-1.7	19	4	9	2	"InChI=1S/C9H12N6O4/c10-7-4-8(12-2-11-7)14-15(13-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H2,10,11,12,14)"	C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O	RDPTWPVOUPSVOZ-UHFFFAOYSA-N
DG51872	"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	280899	"MLS002920191; SMR001797788; 38874-44-1; NSC133119; n,n-dimethyl-3-pentofuranosyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine; cid_280899; CHEMBL1882616; BDBM97035; DTXSID10959651; NSC-133119; 2-[7-(dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-[7-(dimethylamino)-3-triazolo[4,5-d]pyrimidinyl]-5-(hydroxymethyl)oxolane-3,4-diol; 2-[7-(dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-methylol-tetrahydrofuran-3,4-diol; 2-[7-(dimethylamino)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133119	.	.	.	.	296.28	C11H16N6O4	130	375	-1.4	21	3	9	3	"InChI=1S/C11H16N6O4/c1-16(2)9-6-10(13-4-12-9)17(15-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3"	CN(C)C1=NC=NC2=C1N=NN2C3C(C(C(O3)CO)O)O	JHZKUIUDOKIAQC-UHFFFAOYSA-N
DG51873	3-Acetoxymethyl-2-tribromomethylquinoline	281015	NSC133479; 3-Acetoxymethyl-2-tribromomethylquinoline; CHEMBL1971675; ZINC1720191; NSC-133479; [2-(Tribromomethyl)-3-quinolinyl]methyl acetate #	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133479	.	.	.	.	451.94	C13H10Br3NO2	39.2	332	4	19	0	3	3	"InChI=1S/C13H10Br3NO2/c1-8(18)19-7-10-6-9-4-2-3-5-11(9)17-12(10)13(14,15)16/h2-6H,7H2,1H3"	CC(=O)OCC1=CC2=CC=CC=C2N=C1C(Br)(Br)Br	PNKOPSUYMMDTKJ-UHFFFAOYSA-N
DG51874	"2-(3,3-Dichloroprop-2-enoxy)naphthalene-1,4-dione"	281172	NSC133757; ZINC1720835; NSC-133757	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133757	.	.	.	.	283.1	C13H8Cl2O3	43.4	422	3.1	18	0	3	3	"InChI=1S/C13H8Cl2O3/c14-12(15)5-6-18-11-7-10(16)8-3-1-2-4-9(8)13(11)17/h1-5,7H,6H2"	C1=CC=C2C(=C1)C(=O)C=C(C2=O)OCC=C(Cl)Cl	ABFVATXEXMGHDL-UHFFFAOYSA-N
DG51875	"9H-Fluoren-9-one, 2,3-dinitro-"	281255	"NSC133896; NSC-133896; 2,3-dinitro-9H-fluoren-9-one; 500576-09-0; 9H-Fluoren-9-one, 2,3-dinitro-; Compound 133896; NCIStruc1_000842; NCIStruc2_000659; CHEMBL512908; SCHEMBL8738471; BDBM25462; BDBM26612; DTXSID30964505; ZINC3954396; CCG-37530; NCGC00014329; NCI133896; NCGC00014329-02; NCGC00014329-03; NCGC00097438-01; NCGC00097438-02; NCI60_000749; 2,3-bis(hydroxy(oxido)amino)-9H-fluoren-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	133896	.	.	.	.	270.2	C13H6N2O5	109	455	2.9	20	0	5	0	InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H	C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]	BTCGQAJWZRCLRP-UHFFFAOYSA-N
DG51876	3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid	281356	NSC134138; 93327-14-1; SCHEMBL92098; CHEMBL1975376; DTXSID60430627; ZINC4972340; 3-oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid; ZINC104123518; NSC-134138; NCI60_000755; DS-014320	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134138	.	.	.	.	372.4	C17H12N2O6S	145	638	3.4	26	3	8	4	"InChI=1S/C17H12N2O6S/c20-16-14(17(21)22)9-10-3-1-2-4-13(10)15(16)19-18-11-5-7-12(8-6-11)26(23,24)25/h1-9,20H,(H,21,22)(H,23,24,25)"	C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O	NOUGILLUWOKUKU-UHFFFAOYSA-N
DG51877	3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid	281365	NSC134148; NSC-134148; NCIStruc1_001315; NCIStruc2_001795; CHEMBL1551254; CHEMBL1999775; ZINC3954398; CCG-37004; NCGC00014332; NCI134148; ZINC13099120; NCGC00014332-02; NCGC00014332-03; NCGC00097441-01; NCGC00097441-02; NCI60_000758; 3-((4-(aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134148	.	.	.	.	371.4	C17H13N3O5S	151	639	3.2	26	3	8	4	"InChI=1S/C17H13N3O5S/c18-26(24,25)12-7-5-11(6-8-12)19-20-14-9-10-3-1-2-4-13(10)15(16(14)21)17(22)23/h1-9,21H,(H,22,23)(H2,18,24,25)"	C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)O)N=NC3=CC=C(C=C3)S(=O)(=O)N	ROSNSSVBDFGLGW-UHFFFAOYSA-N
DG51878	1-Acetylthio-1-phenyl-2-nitroethane	281443	"NSC134228; 29651-81-8; CHEMBL1968446; DTXSID00299992; 1-Acetylthio-1-phenyl-2-nitroethane; .alpha.-Toluenethiol,acetate (ester); NSC-134228; NCI60_000763; Acetic acid,S-[.alpha.-(nitromethyl)benzyl] ester; Ethanethioic acid,S-(2-nitro-1-phenylethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134228	.	.	.	.	225.27	C10H11NO3S	88.2	233	2	15	0	4	4	"InChI=1S/C10H11NO3S/c1-8(12)15-10(7-11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3"	CC(=O)SC(C[N+](=O)[O-])C1=CC=CC=C1	YPTUXBSIFZOUKX-UHFFFAOYSA-N
DG51879	"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	281451	"NSC134244; NSC-134244; NCIStruc1_001355; NCIStruc2_001755; CHEMBL1452098; ZINC1721006; CCG-36635; NCGC00014336; NCI134244; NCGC00014336-02; NCGC00097445-01; NCI60_000764; 2-naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134244	.	.	.	.	343.3	C21H13NO4	68.6	540	4.4	26	1	5	2	"InChI=1S/C21H13NO4/c23-21(24)16-10-18(22-17-4-2-1-3-15(16)17)13-6-5-12-8-19-20(26-11-25-19)9-14(12)7-13/h1-10H,11H2,(H,23,24)"	C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O	DYQGDBZUUIQJCG-UHFFFAOYSA-N
DG51880	"Alanine, 3-[(alpha,alpha-diphenylpiperonyl)thio]-, L-"	281457	"MLS002920227; 35959-94-5; 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid; Alanine, 3-[(alpha,alpha-diphenylpiperonyl)thio]-, L-; NSC134250; CHEMBL1893085; NSC-134250; SMR001797824; Alanine,.alpha.-diphenylpiperonyl)thio]-, L-; L-Cysteine,3-benzodioxol-5-yldiphenylmethyl)-; Alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, L-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134250	.	.	.	.	407.5	C23H21NO4S	107	529	1.8	29	2	6	7	"InChI=1S/C23H21NO4S/c24-19(22(25)26)14-29-23(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-12-20-21(13-18)28-15-27-20/h1-13,19H,14-15,24H2,(H,25,26)"	C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)SCC(C(=O)O)N	GOAVOFCRODIGFE-UHFFFAOYSA-N
DG51881	S-(2-acetamidoethyl) benzenecarbothioate	281604	"91133-15-2; S-(2-acetamidoethyl) benzenecarbothioate; NSC134459; S-benzoyl-N-acetyl-cysteamine; SCHEMBL9319940; CHEMBL1971917; DTXSID50300042; Acetamide, benzoate (6CI, 7CI); ZINC1721182; NSC-134459; FT-0726800; Thiobenzoic acid S-[2-(acetylamino)ethyl] ester; Benzenecarbothioic acid,S-[2-(acetylamino)ethyl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134459	.	.	.	.	223.29	C11H13NO2S	71.5	225	1.6	15	1	3	5	"InChI=1S/C11H13NO2S/c1-9(13)12-7-8-15-11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13)"	CC(=O)NCCSC(=O)C1=CC=CC=C1	FFSICNPQENQANW-UHFFFAOYSA-N
DG51882	NSC134723	281830	"(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl N-methylcarbamate; CHEMBL2006083; NSC134723; NSC-134723; K-31; NCI60_000772"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134723	.	.	.	.	362.4	C17H22N4O5	114	803	0	26	2	8	4	"InChI=1S/C17H22N4O5/c1-7-11(18)14(23)10-8(6-26-16(24)19-2)17(25-4)15-9(20(15)3)5-21(17)12(10)13(7)22/h8-9,15H,5-6,18H2,1-4H3,(H,19,24)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NC)OC)N4C)N	HDNPUSAWWBZZNX-UHFFFAOYSA-N
DG51883	NSC134725	281832	"(11-amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl N-ethylcarbamate; CHEMBL1968642; NSC134725; NSC-134725; K-33; NCI60_000773"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134725	.	.	.	.	376.4	C18H24N4O5	114	819	0.4	27	2	8	5	"InChI=1S/C18H24N4O5/c1-5-20-17(25)27-7-9-11-13(14(23)8(2)12(19)15(11)24)22-6-10-16(21(10)3)18(9,22)26-4/h9-10,16H,5-7,19H2,1-4H3,(H,20,25)"	CCNC(=O)OCC1C2=C(C(=O)C(=C(C2=O)N)C)N3C1(C4C(C3)N4C)OC	IKZZDSVQVJQNSV-UHFFFAOYSA-N
DG51884	"Mitomycin C, K-35 deriv."	281834	"NSC134727; K-35; Mitomycin C, K-35 deriv.; CHEMBL1984709; NSC-134727; K 35; NCI60_000774; Carbamic acid, (6-amino-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl ester, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-; Carbamic acid, ester with 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methylazirino[2',3':3,4]-pyrrolo[1,2-a]indole-4,7-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134727	.	.	.	.	378.4	C17H22N4O6	153	805	-0.7	27	4	9	6	"InChI=1S/C17H22N4O6/c1-7-11(18)14(24)10-8(6-27-16(25)19-3-4-22)17(26-2)15-9(20-15)5-21(17)12(10)13(7)23/h8-9,15,20,22H,3-6,18H2,1-2H3,(H,19,25)"	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NCCO)OC)N4)N	YIFIDWHAVPVPSD-UHFFFAOYSA-N
DG51885	"2,3-Dibromo-2,3-diphenylcyclopropane-1-carboxylic acid"	281957	NSC134981; CHEMBL2000974; NSC-134981	.	.	Investigative Drug(s)	Investigative	Small molecular drug	134981	.	.	.	.	396.07	C16H12Br2O2	37.3	358	3.8	20	1	2	3	"InChI=1S/C16H12Br2O2/c17-15(11-7-3-1-4-8-11)13(14(19)20)16(15,18)12-9-5-2-6-10-12/h1-10,13H,(H,19,20)"	C1=CC=C(C=C1)C2(C(C2(C3=CC=CC=C3)Br)C(=O)O)Br	OTXLGBBKQMNCTE-UHFFFAOYSA-N
DG51886	Scilliglaucosidin	281990	"Scilliglaucosidin; NSC135036; 510-62-3; Scillaglaucosidin; 3,14-dihydroxy-19-oxobufa-4,20,22-trienolide; Neuro_000065; CHEMBL1982770; DTXSID60965282; NSC-135036; NCI60_000786"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135036	.	.	.	.	398.5	C24H30O5	83.8	840	1.6	29	2	5	2	"InChI=1S/C24H30O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,12-14,17-20,26,28H,3-4,6-11H2,1H3"	CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O	XMFOZWPYGNDNKK-UHFFFAOYSA-N
DG51887	Hypoepistephanine	282017	HYPOEPISTEPHANINE; NSC135070; 33116-41-5; CHEMBL502779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135070	.	.	.	.	592.7	C36H36N2O6	82	988	5.8	44	1	8	3	"InChI=1S/C36H36N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,28,39H,11-16H2,1-4H3"	CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC	FKHCVUFZOFEROS-UHFFFAOYSA-N
DG51888	"Bersaldegenin 1,5-orthoacetate"	282021	"NSC135077; 23044-66-8; BERSALDEGENIN 1,5-ORTHOACETATE; NSC-135077; NCI60_000792"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135077	.	.	.	.	456.5	C26H32O7	91.3	1000	1.7	33	1	7	2	"InChI=1S/C26H32O7/c1-22-8-5-18-19(26(22,29)10-7-17(22)15-3-4-21(28)30-13-15)6-9-24-12-16-11-20(25(18,24)14-27)32-23(2,31-16)33-24/h3-4,13-14,16-20,29H,5-12H2,1-2H3"	CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC56C3(C7CC(C5)OC(O7)(O6)C)C=O	QMZMTFLDQTWANC-UHFFFAOYSA-N
DG51889	"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]"	282082	"MLS002920260; 34166-91-1; SMR001797856; 2-nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]; NSC135168; cid_282082; CHEMBL1892064; SCHEMBL15413682; BDBM94065; DTXSID50300168; NSC-135168; 2-nitro-3-phenylspiro[cyclopropane-1,9''-fluorene]; 2-nitro-3-phenyl-spiro[cyclopropane-1,9''-fluorene]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135168	.	.	.	.	313.3	C21H15NO2	45.8	485	4.7	24	0	2	1	"InChI=1S/C21H15NO2/c23-22(24)20-19(14-8-2-1-3-9-14)21(20)17-12-6-4-10-15(17)16-11-5-7-13-18(16)21/h1-13,19-20H"	C1=CC=C(C=C1)C2C(C23C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-]	LWKKJTAKWDOTEK-UHFFFAOYSA-N
DG51890	Acetylmarinobufagin	282302	"Acetylmarinobufogenin; Acetylmarinobufagin; Marinobufagin, 3-acetyl-; 4029-68-9; 3-(acetyloxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide; Neuro_000067; DTXSID30960724; NSC135687; NSC-135687; 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate; Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-; NCI60_000796; 5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate; 3-.beta.,5-Dihydroxy-14,15-.beta.-epoxy-5-.beta.-bufa-20,22-dienolide 3-acetate; 5-.beta.-Bufa-20,22-dienolide, 3-.beta.,5-dihydroxy-14,15-.beta.-epoxy-, 3-acetate; Bufa-20, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-; 5a-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-7-yl acetate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135687	.	.	.	.	442.5	C26H34O6	85.4	939	3.1	32	1	6	3	"InChI=1S/C26H34O6/c1-15(27)31-17-6-9-23(2)18-7-10-24(3)20(16-4-5-22(28)30-14-16)12-21-26(24,32-21)19(18)8-11-25(23,29)13-17/h4-5,14,17-21,29H,6-13H2,1-3H3"	CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C	SMEFDRPJDZWFRJ-UHFFFAOYSA-N
DG51891	"4-(Diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one"	282323	"4-(diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one; 22950-51-2; NSC135734; SCHEMBL3267061; DTXSID10300260; AKOS024427472; NSC-135734"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135734	.	.	.	.	454.5	C29H27O3P	43.4	630	5.6	33	0	3	9	"InChI=1S/C29H27O3P/c1-32-29(25-16-8-3-9-17-25,28(30)24-14-6-2-7-15-24)22-23-33(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3"	COC(CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4	OIVDQKVHFRFEEQ-UHFFFAOYSA-N
DG51892	"3,4,5,6-Tetramethylphenanthrene-9,10-dione"	282415	"MLS002702000; 17825-40-0; SMR001565577; 3,4,5,6-tetramethylphenanthrene-9,10-dione; NSC135880; cid_282415; SCHEMBL9270298; CHEMBL1698715; DTXSID70300302; BDBM114200; ZINC1722241; NSC-135880; NCI60_000805; 3,4,5,6-tetramethylphenanthrene-9,10-quinone; SR-01000880100; SR-01000880100-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135880	.	.	.	.	264.3	C18H16O2	34.1	387	4.1	20	0	2	0	"InChI=1S/C18H16O2/c1-9-5-7-13-15(11(9)3)16-12(4)10(2)6-8-14(16)18(20)17(13)19/h5-8H,1-4H3"	CC1=C(C2=C(C=C1)C(=O)C(=O)C3=C2C(=C(C=C3)C)C)C	JTMGCXDRWXHOND-UHFFFAOYSA-N
DG51893	"3,4-Dichloro-2h-chromen-2-one"	282447	"3,4-dichloro-2h-chromen-2-one; 5117-56-6; NSC135925; 3,4-dichlorocoumarin; 3,4-dichloro-coumarin; SCHEMBL2540914; DTXSID60300316; ZINC1722296; AKOS016844928; MCULE-7635248092; NSC-135925"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135925	.	.	.	.	215.03	C9H4Cl2O2	26.3	273	3.1	13	0	2	0	InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4H	C1=CC=C2C(=C1)C(=C(C(=O)O2)Cl)Cl	LUXWWAWZBUBXEP-UHFFFAOYSA-N
DG51894	"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one"	282451	"5250-41-9; 3,4,6-trichloro-5,7-dimethyl-2h-chromen-2-one; NSC135929; CHEMBL1966467; DTXSID80300318; ZINC1722299; NSC-135929; NCI60_000807"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135929	.	.	.	.	277.5	C11H7Cl3O2	26.3	353	4.5	16	0	2	0	"InChI=1S/C11H7Cl3O2/c1-4-3-6-7(5(2)8(4)12)9(13)10(14)11(15)16-6/h3H,1-2H3"	CC1=CC2=C(C(=C1Cl)C)C(=C(C(=O)O2)Cl)Cl	GEDSDJKKACCVPG-UHFFFAOYSA-N
DG51895	P-Ara-C	282479	"P-Ara-C; MLS002703013; Palmo-Ara-C; Palmitoyl cytarabine; Palm O-ara-C; NSC135962; Aracytidine 5'-palmitate; Cytosine, 5'-palmitate; 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitoyl ester; CHEMBL65349; DTXSID70953190; NSC-135962; 2(1H)-Pyrimidinone, 4-amino-1-[5-O-(1-oxohexadecyl)-.beta.-D-arabinofuranosyl]-; NCI60_000808; SMR001566821; 1-.beta.-D-Arabinofuranosylcytosine 5'-palmitate; 1-(5-O-Hexadecanoylpentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	135962	.	.	.	.	481.6	C25H43N3O6	135	684	5.6	34	3	6	18	"InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(29)33-18-19-22(30)23(31)24(34-19)28-17-16-20(26)27-25(28)32/h16-17,19,22-24,30-31H,2-15,18H2,1H3,(H2,26,27,32)"	CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O	SHBAKEKBTCPUFI-UHFFFAOYSA-N
DG51896	Antibiotic AT-116	282522	Pentalenolactone; NSC136036; Antibiotic AT-116; CHEMBL1999838; SCHEMBL15413366; NSC-136036; NCI60_000819	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136036	.	.	.	.	276.28	C15H16O5	76.1	603	0.6	20	1	5	1	"InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)"	CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O	NUPNVWUYFVEAIT-UHFFFAOYSA-N
DG51897	"N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide"	282598	"MLS002920361; SMR001797954; NSC136268; cid_282598; CHEMBL1865393; BDBM83283; ZINC1722488; N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide; NSC-136268; N-(3-chloro-1,4-diketo-2-naphthyl)-N-(2-methoxyphenyl)acetamide; N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-(2-methoxyphenyl)acetamide; N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-(2-methoxyphenyl)ethanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136268	.	.	.	.	355.8	C19H14ClNO4	63.7	615	3.4	25	0	4	3	"InChI=1S/C19H14ClNO4/c1-11(22)21(14-9-5-6-10-15(14)25-2)17-16(20)18(23)12-7-3-4-8-13(12)19(17)24/h3-10H,1-2H3"	CC(=O)N(C1=CC=CC=C1OC)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl	NESAYAUVALVXLY-UHFFFAOYSA-N
DG51898	"2,6-Dichlorophenanthridine"	282601	"38052-81-2; 2,6-dichlorophenanthridine; NSC136274; DTXSID20300352; ZINC1722491; NSC-136274"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136274	.	.	.	.	248.1	C13H7Cl2N	12.9	258	5	16	0	1	0	InChI=1S/C13H7Cl2N/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(15)16-12/h1-7H	C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=C2Cl	BTISIQJTOTUWFG-UHFFFAOYSA-N
DG51899	"2-[1,1'-Biphenyl]-4-ylbenzo[g]quinoline-4-carboxylic acid"	282667	"NSC136469; NSC-136469; 500579-00-0; NCIStruc1_001461; NCIStruc2_001746; BIDD:GT0577; CHEMBL1555823; SCHEMBL16292443; DTXSID80300373; ZINC1722557; CCG-36930; NCGC00014349; NCI136469; 2-biphenyl-4-yl-quinoline-4-carboxylic; NCGC00014349-02; NCGC00097458-01; NCI60_000825; 2-[1,1'-biphenyl]-4-ylbenzo[g]quinoline-4-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136469	.	.	.	.	375.4	C26H17NO2	50.2	563	5.9	29	1	3	3	"InChI=1S/C26H17NO2/c28-26(29)23-16-24(19-12-10-18(11-13-19)17-6-2-1-3-7-17)27-25-15-21-9-5-4-8-20(21)14-22(23)25/h1-16H,(H,28,29)"	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=C3)C(=O)O	UKUYQFXKQFWUJO-UHFFFAOYSA-N
DG51900	Dibenzoylfuran deriv	282697	"DIBENZOYLFURAN DERIV; 22600-28-8; NSC136513; UNII-9P5SXX37TS; 9P5SXX37TS; Furan, 3-piperonyloyl-4-(3,4, 5-trimethoxybenzoyl)-; MLS002702007; SMR000528850; NSC 136513; Neuro_000072; MLS000766238; Furan,4,5-trimethoxybenzoyl)-; CHEMBL1368683; SCHEMBL15413352; DTXSID40177124; HMS2883G20; ZINC1722585; NSC-136513; NCGC00246732-01; NCI60_000829; 3-Piperonyloyl-4-(3,4,5-trimethoxybenzoyl)-furan; 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-3-furyl]methanone; Benzo[d][1,3]dioxol-5-yl(4-(3,4,5-trimethoxybenzoyl)furan-3-yl)methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136513	.	.	.	.	410.4	C22H18O8	93.4	610	3.4	30	0	8	7	"InChI=1S/C22H18O8/c1-25-18-7-13(8-19(26-2)22(18)27-3)21(24)15-10-28-9-14(15)20(23)12-4-5-16-17(6-12)30-11-29-16/h4-10H,11H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4	VYYTXYSWNCYNIT-UHFFFAOYSA-N
DG51901	"5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one"	282785	"NSC136720; 5-Ethoxy-7-hydroxy-4a,9-dimethyl-3-methylenedecahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one; CHEMBL1991146; NSC-136720; NCI60_000835; 1-ethoxy-3-hydroxy-5,10a-dimethyl-9-methylene-3,4,4a,5,6,6a,9a,10-octahydro-1H-furo[[ ]:[ ]]cyclohepta[[ ]]pyran-8-one; 14-ethoxy-12-hydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136720	.	.	.	.	310.4	C17H26O5	65	476	2.6	22	1	5	2	"InChI=1S/C17H26O5/c1-5-20-16-17(4)8-11-10(3)15(19)21-13(11)6-9(2)12(17)7-14(18)22-16/h9,11-14,16,18H,3,5-8H2,1-2,4H3"	CCOC1C2(CC3C(CC(C2CC(O1)O)C)OC(=O)C3=C)C	UIFSGDQXHQSWGC-UHFFFAOYSA-N
DG51902	Paucin 3	282787	"PAUCIN 3; CHEMBL1996732; NSC136722; NSC-136722; NCI60_000837; Ambros-11[13]-en-12-oic acid,8.beta.-dihydroxy-4-oxo-, .gamma.-lactone, 2-.beta.-D-glucopyranoside 6'-acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	136722	.	.	.	.	468.5	C23H32O10	149	841	-0.2	33	3	10	5	"InChI=1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15 ,17-,18 ,19 ,20 ,22 ,23-/m1/s1"	C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H](CC3=O)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)C(=C)C(=O)O2	GUDGKGBWXIZDPA-SRSBAEBFSA-N
DG51903	"1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrrole-2,5-dione"	282938	"1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-pyrrole-2,5-dione; 37597-19-6; 1-(3,4-dimethoxyphenethyl)-1H-pyrrole-2,5-dione; 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2,5-dione; MLS002702008; 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione; NSC137049; Cyto8B7; IFLab1_005528; CHEMBL1729789; SCHEMBL14678150; ZINC96637; DTXSID60300452; HMS1427L06; STK324768; AKOS000116731; MCULE-5454720712; NSC-137049; IDI1_010931; NCI60_000841; SMR001565583; CS-0219386; EN300-03869; 1-(3,4-Dimethoxyphenethyl)-3-pyrroline-2,5-dione; F1383-0005; 1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2,5-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137049	.	.	.	.	261.269	C14H15NO4	55.8	362	1	19	0	4	5	"InChI=1S/C14H15NO4/c1-18-11-4-3-10(9-12(11)19-2)7-8-15-13(16)5-6-14(15)17/h3-6,9H,7-8H2,1-2H3"	COC1=C(C=C(C=C1)CCN2C(=O)C=CC2=O)OC	VTEURHGUCFTVGM-UHFFFAOYSA-N
DG51904	"1-Cyclododecyl-1h-pyrrole-2,5-dione"	282944	"1-cyclododecyl-1h-pyrrole-2,5-dione; 1-cyclododecylpyrrole-2,5-dione; 53629-18-8; NSC137055; N-Cyclododecylmaleimide; SCHEMBL1059882; ZINC96663; DTXSID80300454; CCG-53017; AKOS024369825; MCULE-7207247317; NSC-137055; SR-01000642210-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137055	.	.	.	.	263.37	C16H25NO2	37.4	319	4.5	19	0	2	1	"InChI=1S/C16H25NO2/c18-15-12-13-16(19)17(15)14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2"	C1CCCCCC(CCCCC1)N2C(=O)C=CC2=O	MHEFNZSCICKHDS-UHFFFAOYSA-N
DG51905	Kalafungin	283138	"KALAFUNGIN; MLS002920403; NSC137443; Antibiotic U-19,718; SMR001797995; 4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione; cid_283138; U 19718; U-19,718; hydroxy(methyl)[ ]trione; SCHEMBL396216; CHEMBL1988648; DTXSID40864305; BDBM114207; 2H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-; 2H-Furo[3,3-d]pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7-hydroxy-5-methyl-, [3aR-(3a.alpha.,5.alpha.,11b.alpha.)]-; 3,3a,5,11b-Tetrahydro-7-hydroxy-5-methyl-2H-furo[3,2-b]naphtho[2,3-d]pyran-2,6,11-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137443	.	.	.	.	300.26	C16H12O6	89.9	606	1	22	1	6	0	"InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3"	CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O	XUWPJKDMEZSVTP-UHFFFAOYSA-N
DG51906	"2-bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline"	283260	"NSC137633; 33174-93-5; CHEMBL1995472; DTXSID70423520; 2-bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline; ZINC16953677; AKOS003610899; ZINC104128597; NSC-137633; NCI60_000852; DS-013024"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137633	.	.	.	.	297.18	C10H9BrN4S	91.9	263	3.8	16	1	5	2	"InChI=1S/C10H9BrN4S/c1-6-9(16-10(12)13-6)15-14-8-5-3-2-4-7(8)11/h2-5H,1H3,(H2,12,13)"	CC1=C(SC(=N1)N)N=NC2=CC=CC=C2Br	KBPPJJJWOGWJHT-UHFFFAOYSA-N
DG51907	"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	283262	"33175-12-1; NSC137635; CHEMBL1968577; DTXSID40715126; ZINC16953683; ZINC104128606; NSC-137635; (5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137635	.	.	.	.	332.17	C10H7Cl2N5O2S	138	396	4.2	20	1	7	2	"InChI=1S/C10H7Cl2N5O2S/c1-4-9(20-10(13)14-4)16-15-7-2-6(12)8(17(18)19)3-5(7)11/h2-3H,1H3,(H2,13,14)"	CC1=C(SC(=N1)N)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl	BEOGUAZIXAMUJG-UHFFFAOYSA-N
DG51908	"Benzeneacetamide, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenyl-"	283278	"UNII-4JFU223OXO; 4JFU223OXO; Benzeneacetamide, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenyl-; 19188-64-8; NSC137765; Acetanilide, 2-(m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl)-; Acetanilide, 2-[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]-; NSC 137765; CHEMBL1907377; DTXSID40172730; ZINC1723221; 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-phenyl-acetamide; 3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-N-phenylbenzeneacetamide; 1-[3-[2-(Phenylamino)-2-oxoethyl]phenyl]-2,2-dimethyl-4,6-diamino-1,2-dihydro-1,3,5-triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	137765	.	.	.	.	350.4	C19H22N6O	109	579	1.2	26	3	2	4	"InChI=1S/C19H22N6O/c1-19(2)24-17(20)23-18(21)25(19)15-10-6-7-13(11-15)12-16(26)22-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,26)(H4,20,21,23,24)"	CC1(N=C(N=C(N1C2=CC=CC(=C2)CC(=O)NC3=CC=CC=C3)N)N)C	JXPRDUBHFIPHBZ-UHFFFAOYSA-N
DG51909	"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate"	283490	"NSC138333; CHEMBL1989489; NSC-138333; (4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate; NCI60_000864; [4-(1,3-dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxo-tetrahydrofuran-3-yl]methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138333	.	.	.	.	354.4	C19H18N2O5	85.8	595	0.6	26	0	6	4	"InChI=1S/C19H18N2O5/c1-11(22)25-10-15-14(9-26-19(15)24)18(23)21-7-13-6-12-4-2-3-5-16(12)20-17(13)8-21/h2-6,14-15H,7-10H2,1H3"	CC(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2	CYNXEFBQUHGDIH-UHFFFAOYSA-N
DG51910	"4-(2-Chloroacetyl)-6,7-dimethyl-1,3-dihydroquinoxalin-2-one"	283529	NSC138389; MLS002920450; CHEMBL1886450; ZINC4984363; NSC-138389; SMR001798041	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138389	.	.	.	.	252.69	C12H13ClN2O2	49.4	335	1.6	17	1	2	1	"InChI=1S/C12H13ClN2O2/c1-7-3-9-10(4-8(7)2)15(12(17)5-13)6-11(16)14-9/h3-4H,5-6H2,1-2H3,(H,14,16)"	CC1=CC2=C(C=C1C)N(CC(=O)N2)C(=O)CCl	VSDDGURPBRNRLS-UHFFFAOYSA-N
DG51911	"Cytosine, 2',3',5'-tributyrate"	283562	"NSC138429; 34409-15-9; CHEMBL1974042; DTXSID20300711; Cytosine, 2',3',5'-tributyrate; NSC-138429; NCI60_000867; 2(1H)-Pyrimidinone,3,5-tris-O-(1-oxobutyl)-.beta.-D-arabinofuranosyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138429	.	.	.	.	453.5	C21H31N3O8	147	766	1.7	32	1	8	14	"InChI=1S/C21H31N3O8/c1-4-7-15(25)29-12-13-18(31-16(26)8-5-2)19(32-17(27)9-6-3)20(30-13)24-11-10-14(22)23-21(24)28/h10-11,13,18-20H,4-9,12H2,1-3H3,(H2,22,23,28)"	CCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)CCC)OC(=O)CCC	ABSMYRQJATYHGU-UHFFFAOYSA-N
DG51912	"2-((2,4,7-trichloro-9H-fluoren-9-yl)amino)ethanol"	283705	"NSC138756; NSC-138756; NCIStruc1_001625; NCIStruc2_001919; 2-((2,4,7-trichloro-9H-fluoren-9-yl)amino)ethanol; CHEMBL1985821; NCI60_000872"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	138756	.	.	.	.	328.6	C15H12Cl3NO	32.299	343	3.9	20	2	2	3	"InChI=1S/C15H12Cl3NO/c16-8-1-2-10-11(5-8)15(19-3-4-20)12-6-9(17)7-13(18)14(10)12/h1-2,5-7,15,19-20H,3-4H2"	C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)NCCO	DUJIUZARXIXFNP-UHFFFAOYSA-N
DG51913	"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)"	283962	"14141-62-9; 1,2,4,5-tetrazine-3,6-diylbis(phenylmethanone); NSC139235; CHEMBL1971093; DTXSID00300850; NSC-139235; NCI60_000877"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139235	.	.	.	.	290.28	C16H10N4O2	85.7	357	2	22	0	6	4	InChI=1S/C16H10N4O2/c21-13(11-7-3-1-4-8-11)15-17-19-16(20-18-15)14(22)12-9-5-2-6-10-12/h1-10H	C1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=CC=C3	FZZXVLFGIDSYHO-UHFFFAOYSA-N
DG51914	3-benzyl-5-phenyl-1H-pyrazole	283965	"3-benzyl-5-phenyl-1H-pyrazole; 21917-99-7; 5-benzyl-3-phenyl-1H-pyrazole; NSC139240; 1H-Pyrazole,3-phenyl-5-(phenylmethyl)-; CHEMBL1974652; DTXSID20300852; ZINC331497; AKOS024322719; MCULE-5537991573; NSC-139240; 3-PHENYL-5-BENZYL-1H-PYRAZOLE; DS-002991; FT-0616333"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139240	.	.	.	.	234.29	C16H14N2	28.7	242	3.8	18	1	1	3	"InChI=1S/C16H14N2/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,17,18)"	C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3	ZLVBMDHJLBYKFG-UHFFFAOYSA-N
DG51915	"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione"	283978	"2-(aziridin-1-yl)-3-methylnaphthalene-1,4-dione; 49861-16-7; NSC139346; CHEMBL1995822; DTXSID60300856; ZINC5052067; NSC-139346; DS-003904; 2-(1-Aziridinyl)-3-methyl-1,4-naphthoquinone; 2-Aziridin-1-yl-3-methyl-naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	139346	.	.	.	.	213.23	C13H11NO2	37.2	393	1.5	16	0	3	1	"InChI=1S/C13H11NO2/c1-8-11(14-6-7-14)13(16)10-5-3-2-4-9(10)12(8)15/h2-5H,6-7H2,1H3"	CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3	DKRIJMBORYUEEM-UHFFFAOYSA-N
DG51916	"2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid"	284536	"MLS002920511; 50507-91-0; NSC140380; CHEMBL1893299; DTXSID90301013; NSC-140380; SMR001798100; DS-012810; 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-yl-ethanone; Ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]morpholine (1:1) (MF2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140380	.	.	.	.	505	C19H29ClN6O6S	182	725	.	33	3	7	5	"InChI=1S/C17H23ClN6O3.C2H6O3S/c1-17(2)22-15(19)21-16(20)24(17)11-3-4-13(12(18)9-11)27-10-14(25)23-5-7-26-8-6-23;1-2-6(3,4)5/h3-4,9H,5-8,10H2,1-2H3,(H4,19,20,21,22);2H2,1H3,(H,3,4,5)"	CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl)N)N)C	WYHMGODFDCDBHZ-UHFFFAOYSA-N
DG51917	2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide	284708	NSC140873; 106410-13-3; NSC-140873; 2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide; MLS000766105; 2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acetamide; GCPK; NCIStruc1_000814; NCIStruc2_000850; SCHEMBL9851289; CHEMBL1450586; ZINC21557; DTXSID00301064; CCG-38259; NCGC00014365; NCI140873; NCGC00014365-02; NCGC00014365-03; NCGC00014365-04; NCGC00097473-01; NCI60_000895; SMR000528603; MLS000766105-02; MLS000766105-03; 2-Glycineamide-5-chlorophenyl 2-pyrryl ketone; 2-amino-N-(4-chloro-2-(1H-pyrrol-2-ylcarbonyl)phenyl)acetamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140873	.	.	.	.	277.7	C13H12ClN3O2	88	351	1.8	19	3	3	4	"InChI=1S/C13H12ClN3O2/c14-8-3-4-10(17-12(18)7-15)9(6-8)13(19)11-2-1-5-16-11/h1-6,16H,7,15H2,(H,17,18)"	C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN	HEMNVSCJOZIBEQ-UHFFFAOYSA-N
DG51918	"1,1'-Sulfonylbis(3-isothiocyanatobenzene)"	284731	"NSC140911; 40939-76-2; bis(3-Isothiocyanatophenyl)sulphone; 1,1'-sulfonylbis(3-isothiocyanatobenzene); NCIMech_000641; CHEMBL1982931; DTXSID10301075; ZINC1725949; CCG-35744; NSC-140911; 3,3'-sulfonylbis(isothiocyanatobenzene); NCI60_000899; Benzene,1,1-sulfonylbis[3-isothiocyanato-; DS-006724; Isothiocyanic acid, sulfonyldi-m-phenylene ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	140911	.	.	.	.	332.4	C14H8N2O2S3	131	513	5.5	21	0	6	4	"InChI=1S/C14H8N2O2S3/c17-21(18,13-5-1-3-11(7-13)15-9-19)14-6-2-4-12(8-14)16-10-20/h1-8H"	C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S	ATUCPLJJYLRXIH-UHFFFAOYSA-N
DG51919	7-Amino-1-fluorofluoren-9-one	284793	NSC141057; CHEMBL1969489; ZINC1726003; NSC-141057; NCI60_000901	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141057	.	.	.	.	213.21	C13H8FNO	43.1	306	3.1	16	1	3	0	"InChI=1S/C13H8FNO/c14-11-3-1-2-9-8-5-4-7(15)6-10(8)13(16)12(9)11/h1-6H,15H2"	C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)N	OCMPJISNJWIRHA-UHFFFAOYSA-N
DG51920	"1h-Naphth[2,3-d]imidazole-4,9-dione, 1,2-dimethyl-"	284925	"4572-59-2; 1h-naphth[2,3-d]imidazole-4,9-dione, 1,2-dimethyl-; NSC141313; Oprea1_559987; 1,2-dimethyl-1H-naphtho[2,3-d]imidazole-4,9-dione; SCHEMBL2587192; CHEMBL4593672; DTXSID10301131; ZINC184652; STK732196; AKOS005524567; MCULE-6891139668; NSC-141313; EU-0043230; 1,2-dimethyl-1H-naphth[2,3-d]imidazole-4,9-dione; 4,9-dihydro-4,9-dioxo-1,2-dimethyl-1H-naphtho[2,3-d]imidazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141313	.	.	.	.	226.23	C13H10N2O2	52	368	2	17	0	3	0	"InChI=1S/C13H10N2O2/c1-7-14-10-11(15(7)2)13(17)9-6-4-3-5-8(9)12(10)16/h3-6H,1-2H3"	CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O	DSABGXKNIWFVGX-UHFFFAOYSA-N
DG51921	"1-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	284986	NSC141527; CHEMBL1999608; NSC-141527; NCI60_000906	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141527	.	.	.	.	234.29	C16H14N2	28.2	362	3.1	18	1	1	0	"InChI=1S/C16H14N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-5,8-9,18H,6-7H2,1H3"	CC1=NCCC2=CC3=C(C=C12)C4=CC=CC=C4N3	IPFHPGYODRLHBL-UHFFFAOYSA-N
DG51922	Ovalicine subst.	284995	OVALICINE SUBST.; NSC141538; Ovalicin; MLS002920529; Graphinone; (-)-Ovalicin; 4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one; Antibiotic SL 1846; Antibiotic FR 125756; SCHEMBL3857964; CHEMBL1978199; CHEBI:181086; NSC-141538; SL 1846; NCGC00385977-01; 8-hydroxy-7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-one; NCI60_000907; SMR001798118; FR 125756; 4-hydroxy-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-one; NCGC00385977-01_C16H24O5_4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141538	.	.	.	.	296.36	C16H24O5	71.6	497	0.6	21	1	5	4	"InChI=1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3"	CC(=CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O)C	NESRXFGQJARQNM-UHFFFAOYSA-N
DG51923	Dihydroovalicine subst.	284996	"Dihydroovalicine subst.; NSC141539; Dihydroovalicin; OVALICINE, SUBST.; CHEMBL1987389; NSC-141539; NCI60_000908; 4-hydroxy-4-(3-isopentyl-2-methyl-2-oxiranyl)-5-methoxy-1-oxaspiro[2.5]octan-6-one; 8-hydroxy-8-(3-isopentyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	141539	.	.	.	.	298.37	C16H26O5	71.6	450	0.7	21	1	5	5	"InChI=1S/C16H26O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h10,12-13,18H,5-9H2,1-4H3"	CC(C)CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O	HEUGEMJVVOMBIB-UHFFFAOYSA-N
DG51924	"1-methyl-6H-pyrido[4,3-b]carbazole"	285249	"MLS002920539; SMR001798128; NSC142053; 1-methyl-6H-pyrido[4,3-b]carbazole; SCHEMBL9050794; SCHEMBL9050806; CHEMBL1896726; BDBM94981; cid_5382484; ZINC1726591; NSC-142053"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142053	.	.	.	.	232.28	C16H12N2	24.4	558	3.4	18	1	2	0	"InChI=1S/C16H12N2/c1-10-13-9-14-12-4-2-3-5-15(12)18-16(14)8-11(13)6-7-17-10/h2-9,17H,1H3"	CC1=C2C=C3C4=CC=CC=C4N=C3C=C2C=CN1	KEXJRLIZSKRXPC-UHFFFAOYSA-N
DG51925	"1-butyl-5-methyl-2H-pyrido[4,3-b]carbazole"	285250	NSC142055; CHEMBL1972192; SCHEMBL21379777; ZINC1726593; NSC-142055; NCI60_000923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142055	.	.	.	.	288.4	C20H20N2	24.4	643	5.1	22	1	2	3	"InChI=1S/C20H20N2/c1-3-4-8-18-16-12-17-15-7-5-6-9-19(15)22-20(17)13(2)14(16)10-11-21-18/h5-7,9-12,21H,3-4,8H2,1-2H3"	CCCCC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=CN1)C	FZAOIFFHTFFVQJ-UHFFFAOYSA-N
DG51926	"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide"	285364	"34287-98-4; NSC142226; n-[2-(benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide; CHEMBL1976007; DTXSID40955843; ZINC1726684; NSC-142226"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142226	.	.	.	.	326.2	C15H13Cl2NO3	49.8	335	3.6	21	1	3	5	"InChI=1S/C15H13Cl2NO3/c16-14(17)15(19)18(20)12-8-4-5-9-13(12)21-10-11-6-2-1-3-7-11/h1-9,14,20H,10H2"	C1=CC=C(C=C1)COC2=CC=CC=C2N(C(=O)C(Cl)Cl)O	DTRKNNWKWLTQLE-UHFFFAOYSA-N
DG51927	N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea	285402	NSC142269; MLS000766109; NSC-142269; SMR000528606; N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea; NCIStruc1_000894; NCIStruc2_000652; cid_285402; CHEMBL1408238; BDBM95999; 1-(4-methylpyridin-2-yl)-3-(4-methylsulfanylphenyl)urea; HMS2858F15; CCG-38186; NCGC00014372; NCI142269; ZINC37868602; NCGC00014372-02; NCGC00097480-01; NCI60_000925; 1-(4-methyl-2-pyridinyl)-3-[4-(methylthio)phenyl]urea; 1-(4-methyl-2-pyridyl)-3-(4-methylsulfanylphenyl)urea; 1-(4-methyl-2-pyridyl)-3-[4-(methylthio)phenyl]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142269	.	.	.	.	273.36	C14H15N3OS	79.3	292	2.6	19	2	3	3	"InChI=1S/C14H15N3OS/c1-10-7-8-15-13(9-10)17-14(18)16-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H2,15,16,17,18)"	CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC	OYDMDQQQNDFMEE-UHFFFAOYSA-N
DG51928	"7,9-Dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	285494	"90792-64-6; 7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione; NSC142475; DTXSID50301332; ZINC1726820; NSC-142475; J3.628.409I; 3',5'-Dibromospiro[tetrahydrofuran-2,1'-[2,5]cyclohexadiene]-5,4'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142475	.	.	.	.	321.95	C9H6Br2O3	43.4	360	2.3	14	0	3	0	"InChI=1S/C9H6Br2O3/c10-5-3-9(2-1-7(12)14-9)4-6(11)8(5)13/h3-4H,1-2H2"	C1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O	UWFJJLVMISJSHR-UHFFFAOYSA-N
DG51929	"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione"	285581	"93733-07-4; 2-methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione; NSC142587; CHEMBL4441110; DTXSID50301357; NSC-142587"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	142587	.	.	.	.	254.28	C15H14N2O2	52	396	2.9	19	0	3	2	"InChI=1S/C15H14N2O2/c1-3-8-17-9(2)16-12-13(17)15(19)11-7-5-4-6-10(11)14(12)18/h4-7H,3,8H2,1-2H3"	CCCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C	QMYKJMRDHQMLOS-UHFFFAOYSA-N
DG51930	"3,3'-(Methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]"	285728	"33024-35-0; 3,3'-(methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]; NSC143147; CHEMBL12409; CHEMBL3250441; DTXSID70301410; ZINC5085344; trans-Methylenedi(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea); NSC-143147; Urea, 1,1'-methylenedi(1,4-cyclohexylene)bis(3-(2-chloroethyl)-3-nitroso-, (E,E)-; 60324-95-0; NCI60_000950; DS-007955; 1,1-CYCLOHEXYLENE)BIS[3-(2-CHLOROETHYL)]-3-NITROSOUREA; Urea,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chloroethyl)-3-nitroso-; 1-(2-chloroethyl)-3-[4-[[4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexyl]methyl]cyclohexyl]-1-nitroso-urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143147	.	.	.	.	479.4	C19H32Cl2N6O4	124	548	4.1	31	2	6	8	"InChI=1S/C19H32Cl2N6O4/c20-9-11-26(24-30)18(28)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(29)27(25-31)12-10-21/h14-17H,1-13H2,(H,22,28)(H,23,29)"	C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O	CHRJZHUVRKHISQ-UHFFFAOYSA-N
DG51931	"Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate"	285758	"NSC143241; 7630-72-0; MLS002703015; Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate; UNII-A6RRX7C99W; A6RRX7C99W; SMR001566823; Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1,2,9,10-tetramethoxy-, ethyl ester; Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate; NSC 143241; Neuro_000076; cid_285758; CHEMBL1711578; ethyl tetramethoxy[ ]carboxylate; BDBM96135; DTXSID20227176; Quinoline-6-carboxylic acid der.; N-(Ethoxycarbonyl)dehydronorglaucine; ZINC1727151; NSC-143241; NCI60_000951; DS-010757; Dibenzo[de, 4,5-dihydro- 1,2,9,10-tetramethoxy-, ethyl ester; Ethyl 1,2,9,10-tetramethoxy-4H-dibenzo[de,g]quinoline-6(5H)-carboxylate; 1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid ethyl ester; Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro-1,2,9, 10-tetramethoxy-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143241	.	.	.	.	411.4	C23H25NO6	66.5	602	4.5	30	0	6	6	"InChI=1S/C23H25NO6/c1-6-30-23(25)24-8-7-13-10-19(28-4)22(29-5)21-15-12-18(27-3)17(26-2)11-14(15)9-16(24)20(13)21/h9-12H,6-8H2,1-5H3"	CCOC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC	UBNQMQAKEHACQS-UHFFFAOYSA-N
DG51932	"Diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	285815	"diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 35929-79-4; CHEMBL1825006; NSC143346; Oprea1_170773; Oprea1_600666; SCHEMBL3030945; DTXSID80957341; ZINC640421; BDBM50074016; STK387357; AKOS000296841; MCULE-7958042671; NSC-143346; 3,5-diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; NCI60_000953; DS-001240; CS-0298836; EU-0068543; VU0120417-2; SR-01000403185; SR-01000403185-1; Z57724605; F0265-0656; 1,4-Dihydro-2,6-dimethyl-4-(4-chlorophenyl)pyridine-3,5-dicarboxylic acid diethyl ester; diethyl 4-(4-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate; diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate; diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxyla te"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143346	.	.	.	.	363.8	C19H22ClNO4	64.599	548	4	25	1	5	7	"InChI=1S/C19H22ClNO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-7-9-14(20)10-8-13/h7-10,17,21H,5-6H2,1-4H3"	CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C(=O)OCC)C)C	TXVRICWGWBIUAG-UHFFFAOYSA-N
DG51933	Bis(2-methoxy-4-methylphenyl)methanone	285885	NSC143532; ZINC1727312; NSC-143532	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143532	.	.	.	.	270.32	C17H18O3	35.5	298	3.9	20	0	3	4	"InChI=1S/C17H18O3/c1-11-5-7-13(15(9-11)19-3)17(18)14-8-6-12(2)10-16(14)20-4/h5-10H,1-4H3"	CC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)C)OC)OC	MURHDPXRYLOCLY-UHFFFAOYSA-N
DG51934	"Calotropin (6CI, 8CI)"	286106	"Calotropin (6CI, 8CI); NSC143925; NSC-143925; NCI60_000961; Card-20(22)-enolide,3-[(tetrahydro-3,4-dihydroxy- 6-methyl-2H-pyran-3,2-diyl)bis(oxy)]-, [2.alpha.(2S,3S,4S,6R),3.beta.,5.alpha.]-; Card-20(22)-enolide,3-[[(2S,3S,4S,6R)-tetrahydro- 3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-,(2.alpha.,3.beta.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	143925	.	.	.	.	532.6	C29H40O9	140	1040	1.1	38	3	9	4	"InChI=1S/C29H40O9/c1-15-9-21(31)25(34)26(37-15)38-23-11-17-3-4-20-19(28(17,14-30)12-22(23)32)5-7-27(2)18(6-8-29(20,27)35)16-10-24(33)36-13-16/h10,14-15,17-23,26,31-32,35H,3-9,11-13H2,1-2H3/t15 ,17-,18 ,19-,20+,21 ,22+,23+,26 ,27+,28+,29-/m0/s1"	CC1CC(C(=O)C(O1)O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C=O)CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)O	ZVXUSUPIDOSPHB-UATTZVLQSA-N
DG51935	"2-(naphthalen-1-yl)-1H-1,3-benzodiazole"	286183	"2562-81-4; 2-(naphthalen-1-yl)-1H-1,3-benzodiazole; 2-(1-naphthyl)-1h-benzimidazole; 2-naphthalen-1-yl-1H-benzimidazole; MLS002920612; 1H-Benzimidazole, 2-(1-naphthalenyl)-; 2-(Naphthalen-1-yl)-1H-benzo[d]imidazole; NSC144033; 2-(1-naphthalenyl)-1H-Benzimidazole; SCHEMBL784353; CHEMBL1996259; DTXSID40301528; ZINC970106; CAA56281; AKOS003029396; 2-(naphthalen-1-yl)-1H-benzimidazole; MCULE-4045208994; NSC-144033; DA-28769; SMR001798199; FT-0729895; EN300-82125; Z50129856"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144033	.	.	.	.	244.29	C17H12N2	28.7	316	4.5	19	1	1	1	"InChI=1S/C17H12N2/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17/h1-11H,(H,18,19)"	C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4N3	PAOHHYDZFURJKA-UHFFFAOYSA-N
DG51936	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-"	286252	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-; 3298-87-1; 6-chloro-2,3-bis(iodomethyl)quinoxaline; NSC144163; Quinoxaline,3-bis(iodomethyl)-; DTXSID10301550; ZINC5085863; NSC-144163; DS-012430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144163	.	.	.	.	444.44	C10H7ClI2N2	25.8	218	3.9	15	0	2	2	"InChI=1S/C10H7ClI2N2/c11-6-1-2-7-8(3-6)15-10(5-13)9(4-12)14-7/h1-3H,4-5H2"	C1=CC2=C(C=C1Cl)N=C(C(=N2)CI)CI	JUSSMMAJIDPHPB-UHFFFAOYSA-N
DG51937	3-(Bromomethyl)-2-quinoxalinol	286254	"62235-61-4; 3-Bromomethylquinoxalin-2-one; 3-(Bromomethyl)-2-quinoxalinol; 3-(bromomethyl)quinoxalin-2-ol; 3-(bromomethyl)-1H-quinoxalin-2-one; NSC144168; MFCD02660613; 2(1H)-Quinoxalinone, 3-(bromomethyl)-; NSC 144168; 3-(Bromomethyl)quinoxaline-2(1H)-one; SCHEMBL681084; CHEMBL1973412; DTXSID70211287; 3-(BROMOMETHYL)QUINOXALINE; STK887678; ZINC16955532; 3-(bromomethyl)-2(1h)-quinoxalinone; AKOS001416032; AKOS002338749; MCULE-3162543408; NSC-144168; 2(1H)-Quinoxalinone,3-(bromomethyl)-; 3-(Bromomethyl) Quinoxaline-2(1H)-One; AS-37049; NCI60_000965; 2-bromomethyl-3-oxo-3,4-dihydroquinoxaline; FT-0646395; Y9641; 3-(Bromomethyl)quinoxaline-2(1H)-one, 90%; EN300-28768; 10.14272/SOTAKCFOTFCVSS-UHFFFAOYSA-N.1; A833659; AN-829/25059007; doi:10.14272/SOTAKCFOTFCVSS-UHFFFAOYSA-N.1; J-510830"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144168	.	.	.	.	239.07	C9H7BrN2O	41.5	252	1.5	13	1	2	1	"InChI=1S/C9H7BrN2O/c10-5-8-9(13)12-7-4-2-1-3-6(7)11-8/h1-4H,5H2,(H,12,13)"	C1=CC=C2C(=C1)NC(=O)C(=N2)CBr	SOTAKCFOTFCVSS-UHFFFAOYSA-N
DG51938	"2,3-Bis(iodomethyl)-6-methoxyquinoxaline"	286257	"2,3-Bis(iodomethyl)-6-methoxyquinoxaline; 32602-08-7; NSC144173; 2,3-bis(iodomethyl)-6-methoxy-quinoxaline; NSC 144173; CHEMBL2002117; DTXSID00186297; ZINC5085866; NSC-144173; 6-Methoxy-2,3-bis(iodomethyl)quinoxaline; NCI60_000966; Quinoxaline,3-bis(iodomethyl)-6-methoxy-; DS-003490; Quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-; 2,3-Bis(iodomethyl)-6-quinoxalinyl methyl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144173	.	.	.	.	440.02	C11H10I2N2O	35	230	3.3	16	0	3	3	"InChI=1S/C11H10I2N2O/c1-16-7-2-3-8-9(4-7)15-11(6-13)10(5-12)14-8/h2-4H,5-6H2,1H3"	COC1=CC2=C(C=C1)N=C(C(=N2)CI)CI	LILYPRLZBGZTJF-UHFFFAOYSA-N
DG51939	"Quinoxaline, 2-chloro-3-(iodomethyl)-"	286258	"Quinoxaline, 2-chloro-3-(iodomethyl)-; 32601-92-6; 2-chloro-3-(iodomethyl)quinoxaline; NSC144177; DTXSID50301554; ZINC1727742; NSC-144177; DS-013106"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144177	.	.	.	.	304.51	C9H6ClIN2	25.8	179	3.2	13	0	2	1	"InChI=1S/C9H6ClIN2/c10-9-8(5-11)12-6-3-1-2-4-7(6)13-9/h1-4H,5H2"	C1=CC=C2C(=C1)N=C(C(=N2)Cl)CI	LUQLSNWURHZKSL-UHFFFAOYSA-N
DG51940	"Furazan, di-p-anisoyl-, 2-oxide"	286532	"40499-78-3; furazan,di-p-anisoyl-,2-oxide; Furazan, di-p-anisoyl-, 2-oxide; 3,4-Bis(4-methoxybenzoyl)-1,2,5-oxadiazole 2-oxide; MLS000079127; CHEMBL1325877; [4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanone; SMR000038404; Methanone, (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-methoxyphenyl)-; NSC144988; cid_286532; SCHEMBL2117370; BDBM35494; DTXSID60301621; HMS2310H12; 3,4-di(4-meth-oxybenzoyl)furoxan; ZINC1728124; BDBM50532918; MFCD00365476; AKOS028108660; NSC-144988; NCGC00064079-02; AS-59668; A923709; BIS(4-METHOXYBENZOYL)-1,2,5-OXADIAZOL-2-IUM-2-OLATE; (4-methoxyphenyl)-(5-oxido-4-p-anisoyl-furazan-5-ium-3-yl)methanone; (4-methoxyphenyl)-[4-(4-methoxyphenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone; (4-methoxyphenyl)-[4-[(4-methoxyphenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	144988	.	.	.	.	354.3	C18H14N2O6	104	500	3.3	26	0	7	6	"InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3"	COC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OC)[O-]	FSLCSENNTORBKX-UHFFFAOYSA-N
DG51941	"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]"	286557	"21443-48-1; (2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]; Furazan, monooxide; NSC145016; 3,2,5-oxadiazole N-oxide; DTXSID80301628; ZINC1728153; bis(p-chloro-benzoyl)furazan N-oxide; NSC-145016; 3,4-bis(4-chlorobenzoyl)-1,2,5-oxadiazole 2-oxide; Methanone,4-furazandiylbis[(4-chlorophenyl)-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145016	.	.	.	.	363.1	C16H8Cl2N2O4	85.6	477	4.6	24	0	5	4	InChI=1S/C16H8Cl2N2O4/c17-11-5-1-9(2-6-11)15(21)13-14(20(23)24-19-13)16(22)10-3-7-12(18)8-4-10/h1-8H	C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)Cl)[O-])Cl	BZZJOJCPQADALQ-UHFFFAOYSA-N
DG51942	Pentalenopyran-5-carboxylic acid deriv	286636	"NSC145150; U 36699; 70857-52-2; MLS002920651; PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV; 6,7-Dimethyl-4-methylene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno(1,6a-c)pyran-9-carboxylic acid; 6,7-Dimethyl-4-methylene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid; NSC 145150; 6,7-dimethyl-4-methylidene-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid; CHEMBL1886641; DTXSID10991132; NSC-145150; NCI60_000978; SMR001798238; Pentalenopyran-5-carboxylic acid derivative; Pentaleno[1, 1,2,4,4a,6a,7-hexahydro-7,8-dimethyl-1-methylene-2-oxo-; 7,8-dimethyl-1-methylene-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145150	.	.	.	.	260.279	C15H16O4	63.6	569	1.6	19	1	4	1	"InChI=1S/C15H16O4/c1-7-5-15-9(3)14(18)19-6-12(15)10(13(16)17)4-11(15)8(7)2/h4-5,8,11-12H,3,6H2,1-2H3,(H,16,17)"	CC1C2C=C(C3C2(C=C1C)C(=C)C(=O)OC3)C(=O)O	CRWVSJINJPKGIZ-UHFFFAOYSA-N
DG51943	"Maleimide, N-(1-hydroxyacetonyl)-"	286651	"Maleimide, N-(1-hydroxyacetonyl)-; NSC145168; 66234-84-2; 1-(1-Hydroxy-2-oxopropyl)-1H-pyrrole-2,5-dione; NSC 145168; 1-(1-hydroxy-2-oxo-propyl)pyrrole-2,5-dione; SCHEMBL8723931; CHEMBL2002910; NSC-145168; NCI60_000980; 1H-Pyrrole-2, 1-(1-hydroxy-2-oxopropyl)-; 1H-Pyrrole-2,5-dione, 1-(1-hydroxy-2-oxopropyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145168	.	.	.	.	169.13	C7H7NO4	74.7	263	-0.8	12	1	4	2	"InChI=1S/C7H7NO4/c1-4(9)7(12)8-5(10)2-3-6(8)11/h2-3,7,12H,1H3"	CC(=O)C(N1C(=O)C=CC1=O)O	INYVLMMCYHZEIB-UHFFFAOYSA-N
DG51944	"1,2,5-Triphenylpentane-1,5-dione"	286676	"MLS002920691; 1,2,5-triphenylpentane-1,5-dione; NSC145219; 58337-98-7; SCHEMBL9066704; CHEMBL2135242; AKOS024322959; MCULE-3694768798; NSC-145219; SMR001798278; 1,2,5-TRIPHENYL-PENTANE-1,5-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145219	.	.	.	.	328.4	C23H20O2	34.1	423	4.9	25	0	2	7	"InChI=1S/C23H20O2/c24-22(19-12-6-2-7-13-19)17-16-21(18-10-4-1-5-11-18)23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2"	C1=CC=C(C=C1)C(CCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3	HKGOVXWRWWAJDE-UHFFFAOYSA-N
DG51945	"2-(Naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one"	286701	"31785-60-1; 2-(naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one; NSC145669; NSC-145669; MLS002702022; 2-(NAPHTHALEN-1-YL)-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE; NCIMech_000201; Oprea1_707982; 2-Naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one; CHEMBL191611; SCHEMBL7686343; DTXSID90875007; AKOS001291355; AKOS016872271; MCULE-1373178198; NCI60_000986; SMR001565597; 1-naphthalen-1-yl-2,3-dihydroquinazolin-4-one; 4(1H)-Quinazolinone,3-dihydro-2-(1-naphthyl)-; U-27409; 4(1H)-QUINAZOLINONE, 2,3-DIHYDRO-2-(1-NAPHTHALEN"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145669	.	.	.	.	274.3	C18H14N2O	41.1	397	3.8	21	2	2	1	"InChI=1S/C18H14N2O/c21-18-15-9-3-4-11-16(15)19-17(20-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17,19H,(H,20,21)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=CC=CC=C4C(=O)N3	XKEIBCWTOUEGSH-UHFFFAOYSA-N
DG51946	Ivalbin	286755	"IVALBIN; NSC145904; 7544-65-2; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta(b)furan-2-one; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one; NSC 145904; CHEMBL1978414; DTXSID80996891; NSC-145904; NCI60_000989; 6-(1,3-dihydroxybutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one; 6-(1,3-Dihydroxybutyl)-7-methyl-3-methylidene-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	145904	.	.	.	.	266.33	C15H22O4	66.8	412	1.3	19	2	4	3	"InChI=1S/C15H22O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h4,8-9,12-14,16-17H,3,5-7H2,1-2H3"	CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2	TVKYSIIBPQZNFW-UHFFFAOYSA-N
DG51947	"2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-"	287004	"13605-66-8; 2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-; 3-Chloro-2-oxopropylidene triphenylphosphorane; 1-Chloro-3-(triphenylphosphoranylidene)propan-2-one; 1-chloro-3-(triphenylphosphoranylidene)acetone; 1-chloro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one; NSC146374; chloroacetylmethylenetriphenylphosphorane; SCHEMBL2574392; DTXSID80301784; HTS028540; MFCD04038921; STL145045; ZINC95682181; AKOS005746362; AT23046; MCULE-7179578674; NSC-146374; 2-Oxo-3-chloropropylidenetriphenylphosphorane; chloromethylcarbonylmethylenetriphenyl phosphorane; A903854; 1-chloro-3-(triphenylphosphanylidene)-propane-2-one; 1-chloro-3-(triphenyl phosphoranylidene)propan-2-one; 1-chloro-3-(triphenyl-lambda~5~-phosphanylidene)propan-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146374	.	.	.	.	352.8	C21H18ClOP	17.1	402	4.2	24	0	1	5	"InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2"	C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3	NYAMPFDYTBDISG-UHFFFAOYSA-N
DG51948	"N-[4-(4-bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide"	287145	MLS000766129; NSC146557; CHEMBL3196313; HMS2850J05; ZINC13146928; ZINC100367069; NSC-146557; SMR000528617	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146557	.	.	.	.	481.4	C24H18BrFN2OS	58	691	6.9	30	0	3	3	"InChI=1S/C24H18BrFN2OS/c1-15-7-8-16(2)21(13-15)28-22(17-9-11-18(25)12-10-17)14-30-24(28)27-23(29)19-5-3-4-6-20(19)26/h3-14H,1-2H3"	CC1=CC(=C(C=C1)C)N2C(=CSC2=NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)Br	GVWMBCLHJIYYIV-UHFFFAOYSA-N
DG51949	3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid	287272	"30880-72-9; 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid; 3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid; BENZOIC ACID,3-[(2-CHLORO-4-NITROPHENOXY)METHYL]-; NSC146848; DTXSID40953061; ZINC1728963; MFCD03421912; AKOS000308427; DS-8588; NSC-146848; 3-[(2-Chloro-4-nitrophenoxy)methyl]benzoato; Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	146848	.	.	.	.	307.68	C14H10ClNO5	92.4	386	3.4	21	1	5	4	"InChI=1S/C14H10ClNO5/c15-12-7-11(16(19)20)4-5-13(12)21-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)"	C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl	VMWNQMAQVXLDIL-UHFFFAOYSA-N
DG51950	"6,7-Dimethoxyisoquinoline-1-carbaldehyde"	287724	"6,7-dimethoxyisoquinoline-1-carbaldehyde; 71046-35-0; MLS002920743; NSC147811; CHEMBL1906558; SCHEMBL10973291; DTXSID50301993; ZINC1729425; NSC-147811; SMR001798329; 6,7-dimethoxyisoquinoline-1-carboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	147811	.	.	.	.	217.22	C12H11NO3	48.4	246	1.8	16	0	4	3	"InChI=1S/C12H11NO3/c1-15-11-5-8-3-4-13-10(7-14)9(8)6-12(11)16-2/h3-7H,1-2H3"	COC1=C(C=C2C(=C1)C=CN=C2C=O)OC	UHZKUBULBNDNTD-UHFFFAOYSA-N
DG51951	"2-[[4-(2-Bromoacetyl)-1,6-dimethyl-2-oxopyridin-3-yl]methyl]isoindole-1,3-dione"	288059	NSC148484; CHEMBL1966115; ZINC1683127; NSC-148484	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148484	.	.	.	.	403.2	C18H15BrN2O4	74.8	701	1.4	25	0	4	4	"InChI=1S/C18H15BrN2O4/c1-10-7-13(15(22)8-19)14(16(23)20(10)2)9-21-17(24)11-5-3-4-6-12(11)18(21)25/h3-7H,8-9H2,1-2H3"	CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)CBr	ZXQJUYHXMDUVBN-UHFFFAOYSA-N
DG51952	"2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione"	288087	"83293-77-0; 2-[(2-Hydroxyethyl)sulfanyl]naphthalene-1,4-Dione; 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione; NSC148596; SCHEMBL2599403; CHEMBL4475735; DTXSID80302094; 1, 2-[(2-hydroxyethyl)thio]-; ZINC1729754; NSC-148596; Q27463908"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148596	.	.	.	.	234.27	C12H10O3S	79.7	335	1.4	16	1	4	3	"InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2"	C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCO	IBLOZMPODBITIK-UHFFFAOYSA-N
DG51953	"16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide"	288101	"16-(acetyloxy)-3,14-dihydroxycard-20(22)-enolide; MLS002702028; NSC148790; [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate; 465-15-6; OLENDRIGENIN; Oprea1_850530; DTXSID60963586; NSC-148790; NCI60_001020; SMR001565601; Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148790	.	.	.	.	432.5	C25H36O6	93.1	821	1.9	31	2	6	3	"InChI=1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3"	CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O	IWCNCUVTGOMGKG-UHFFFAOYSA-N
DG51954	"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-"	288216	"37076-68-9; (R)-Tegafur; UNII-5317337V7V; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-; 5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione; CHEMBL235993; NSC148958; 5317337V7V; NSC 148958; (R)-Ftorafur; Ftorafur, (R)-; Tegafur, (R)-; C8H9FN2O3; 2,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-; FT-207 (NSC 148958); R-1-(Tetrahydrofuran-2-yl)-5-fluorouracil; 2-Cyclohexene-1-one  ; NCIMech_000223; SCHEMBL4553; Uracil, 5-fluoro-1-(tetrahydro-2-furyl)-, (R)-; DTXSID8021305; ZINC119895; 2124AH; BDBM50247894; CCG-35341; CCG-36092; NSC200695; s1300; AKOS024306980; NSC-200695; NCGC00386138-01; BT166256; NCI60_001026; Tegafur (FT-207, NSC 148958); F0635; SW220241-1; 5-Fluoro-1-[(R)-tetrahydrofuran-2-yl]uracil; AB01566812_01; 076F689; A823522; 5-fluoro-1-[(2R)-2-oxolanyl]pyrimidine-2,4-dione; Q27261036; 5-fluoranyl-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione; UNII-1548R74NSZ component WFWLQNSHRPWKFK-ZCFIWIBFSA-N; 5-Fluoro-1-(R)-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione; 5-fluoro-1-(R)-tetrahydro-furan-2-yl-1H-pyrimidine-2,4-dione, AldrichCPR; 5-fluoro-1-[(2R)-oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	148958	.	.	.	.	200.17	C8H9FN2O3	58.6	316	-0.3	14	1	4	1	"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)/t6-/m1/s1"	C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F	WFWLQNSHRPWKFK-ZCFIWIBFSA-N
DG51955	"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one"	288480	NSC149692; CHEMBL2001603; NSC-149692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149692	.	.	.	.	472.6	C30H16O2S2	90.6	680	.	34	0	4	0	InChI=1S/2C15H8OS/c16-14-12-6-2-4-9-3-1-5-10(13(9)12)11-7-8-17-15(11)14;16-14-10-5-1-3-9-4-2-6-11(13(9)10)15-12(14)7-8-17-15/h2*1-8H	C1=CC2=C3C(=C1)C4=C(C(=O)C3=CC=C2)SC=C4.C1=CC2=C3C(=C1)C4=C(C=CS4)C(=O)C3=CC=C2	ZISGANMARTVHNR-UHFFFAOYSA-N
DG51956	Methyl 4-amino-4-oxobut-2-ynoate	288678	63424-58-8; methyl 4-amino-4-oxobut-2-ynoate; NSC149967; SCHEMBL7146408; CHEMBL2001725; DTXSID70302285; ZINC1744474; AKOS006361970; NSC-149967; NCI60_001037	.	.	Investigative Drug(s)	Investigative	Small molecular drug	149967	.	.	.	.	127.1	C5H5NO3	69.4	195	-0.2	9	1	3	1	"InChI=1S/C5H5NO3/c1-9-5(8)3-2-4(6)7/h1H3,(H2,6,7)"	COC(=O)C#CC(=O)N	AQKCWIBXLHFMFV-UHFFFAOYSA-N
DG51957	"2-(1,3-Dimethylhexahydro-2-pyrimidinyl)-4-(hydroxy(oxido)amino)phenol"	288749	"NSC150080; NSC-150080; NCIStruc1_000858; NCIStruc2_000694; CHEMBL1448121; CCG-38258; NCGC00014398; NCI150080; ZINC19319661; NCGC00014398-02; NCGC00097505-01; NCI60_001039; 2-(1,3-dimethylhexahydro-2-pyrimidinyl)-4-(hydroxy(oxido)amino)phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150080	.	.	.	.	251.28	C12H17N3O3	72.5	297	1.5	18	1	5	1	"InChI=1S/C12H17N3O3/c1-13-6-3-7-14(2)12(13)10-8-9(15(17)18)4-5-11(10)16/h4-5,8,12,16H,3,6-7H2,1-2H3"	CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C	KYDMEEVGQIIUIW-UHFFFAOYSA-N
DG51958	2-(4-Morpholinylmethyl)quinuclidin-3-one	288759	"2-(4-Morpholinylmethyl)quinuclidin-3-one; NSC150094; 41971-48-6; NSC 150094; CHEMBL1991511; SCHEMBL13238753; 2-(morpholinomethyl)quinuclidin-3-one; NSC-150094; NCI60_001040; A825882; 2-(morpholinomethyl)quinuclidin-3-one;1-Benzylimidazole; 1-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150094	.	.	.	.	224.3	C12H20N2O2	32.8	268	0	16	0	4	2	"InChI=1S/C12H20N2O2/c15-12-10-1-3-14(4-2-10)11(12)9-13-5-7-16-8-6-13/h10-11H,1-9H2"	C1CN2CCC1C(=O)C2CN3CCOCC3	IICSZVOVTPCORP-UHFFFAOYSA-N
DG51959	2-(Morpholin-4-yl)-4-oxo-4-phenylbutanoic acid	288825	2-(morpholin-4-yl)-4-oxo-4-phenylbutanoic acid; NSC150169; 21813-61-6; 2-morpholin-4-yl-4-oxo-4-phenylbutanoic acid; NSC-150169; CBMicro_028526; CHEMBL1964529; SCHEMBL15599303; DTXSID80302312; BBL000848; MFCD00607961; STK862478; AKOS000545466; MCULE-6541360292; 2-Morpholino-4-oxo-4-phenylbutanoic acid; NCI60_001043; VS-00781; BIM-0028570.P001; CS-0336399; 2-(4-morpholinyl)-4-oxo-4-phenylbutanoic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150169	.	.	.	.	263.29	C14H17NO4	66.8	319	-1.4	19	1	5	5	"InChI=1S/C14H17NO4/c16-13(11-4-2-1-3-5-11)10-12(14(17)18)15-6-8-19-9-7-15/h1-5,12H,6-10H2,(H,17,18)"	C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)O	DHQOIHCQRDTAFZ-UHFFFAOYSA-N
DG51960	"2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone"	288920	"NSC150289; NSC-150289; CHEMBL469203; 2,3-dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone; SCHEMBL8738861; BDBM50262190; NCI60_001045"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150289	.	.	.	.	464.1	C18H12Br2N2O3	75.8	491	4.8	25	0	4	4	"InChI=1S/C18H12Br2N2O3/c19-16(14-9-10-21-15-4-2-1-3-13(14)15)17(20)18(23)11-5-7-12(8-6-11)22(24)25/h1-10,16-17H"	C1=CC=C2C(=C1)C(=CC=N2)C(C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)Br	OVEVOPGYRGCOMR-UHFFFAOYSA-N
DG51961	"2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one"	288969	"15982-54-4; NSC150347; 2-[(tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one; DTXSID70302346; NSC-150347"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150347	.	.	.	.	333.5	C23H27NO	29.1	519	5.7	25	1	2	4	"InChI=1S/C23H27NO/c1-22(2,3)24-20(16-11-7-6-8-12-16)18-15-23(4,5)19-14-10-9-13-17(19)21(18)25/h6-15,20,24H,1-5H3"	CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)NC(C)(C)C)C	UAZPYFWXSMGWHR-UHFFFAOYSA-N
DG51962	"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	289018	"NSC150412; MLS002702031; SMR001565604; 52443-15-9; NSC-150412; cid_289018; CHEMBL1892685; BDBM97030; DTXSID90302348; 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; NCI60_001048; 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(3-methylbut-2-enylamino)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile; 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methylbut-2-enylamino)-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene-7-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150412	.	.	.	.	359.4	C17H21N5O4	136	575	0.5	26	4	8	5	"InChI=1S/C17H21N5O4/c1-9(2)3-4-19-15-12-10(5-18)6-22(16(12)21-8-20-15)17-14(25)13(24)11(7-23)26-17/h3,6,8,11,13-14,17,23-25H,4,7H2,1-2H3,(H,19,20,21)"	CC(=CCNC1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)C#N)C	TXNNQVGUHWYSSM-UHFFFAOYSA-N
DG51963	2-((2-Chloro-4-(hydroxy(oxido)amino)-6-phenanthridinyl)amino)ethanol	289037	NSC150432; MLS000766155; NSC-150432; NCIStruc1_001711; NCIStruc2_000989; SCHEMBL2386644; CHEMBL1406307; CCG-37054; NCGC00014405; NCI150432; ZINC22912001; NCGC00014405-02; NCGC00097512-01; NCI60_001049; SMR000528632; 2-((2-chloro-4-(hydroxy(oxido)amino)-6-phenanthridinyl)amino)ethanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150432	.	.	.	.	317.72	C15H12ClN3O3	91	406	3.5	22	2	5	3	"InChI=1S/C15H12ClN3O3/c16-9-7-12-10-3-1-2-4-11(10)15(17-5-6-20)18-14(12)13(8-9)19(21)22/h1-4,7-8,20H,5-6H2,(H,17,18)"	C1=CC=C2C(=C1)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])N=C2NCCO	VSWCCNDGUZELDO-UHFFFAOYSA-N
DG51964	Formocortal	289085	"FORMOCORTAL; Fluderma; Cutisterol; Fluoroformylon; Fluoroformylone; Deflamene; 2825-60-7; Cortocin F; Formoftil; FI 6341; UNII-8E21R0Z4M5; Formocortalum; Deflamin; 8E21R0Z4M5; NSC-150527; [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate; Cortocin-F; Formocortalum [INN-Latin]; NSC 150527; Formocortal [USAN:INN:BAN]; NSC150527; Deflamene (TN); EINECS 220-584-2; Formocortal (USAN/INN); SCHEMBL4353; CHEMBL1989587; DTXSID00895059; CHEBI:135834; ZINC4216336; DB13664; FI-6341; 3-(2'-Chloroethoxy)-6-formyl-9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-3,5-diene-20-one 16,17-acetonide, 21-acetate; 3-(2-Chloroethoxy)-6-formyl-9alpha-fluoropregna-3,5-diene-11beta,16alpha,17,21-tetrol-20-one 21-acetate; 3-(2-Chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-pregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate; 3-(2-Chloroethoxy)-9alpha-fluoro-6-formyl-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-3,5-dien-20-one; NCI60_001051; Pregna-3,5-diene-6-carboxaldehyde, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-20-oxo-, (11beta,16alpha)-; D04244; J-017020; 3-(2-Chloroethoxy)-9-fluoro-11.beta.,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11.beta.,16.alpha.)-; Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate; Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate (8CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	150527	.	.	.	.	569.1	C29H38ClFO8	108	1150	3.8	39	1	9	8	"InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1"	CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C	QNXUUBBKHBYRFW-QWAPGEGQSA-N
DG51965	Dihydrogeiparvarim	289493	CHEMBL1995684; 16850-99-0; Dihydrogeiparvarim; NSC151655; DTXSID80302498; BDBM50428436; NSC-151655; NCI60_001062	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151655	.	.	.	.	328.4	C19H20O5	61.8	574	3.3	24	0	5	5	"InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3"	CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C	GXTVQAPXQFZGLW-UHFFFAOYSA-N
DG51966	7-Methoxy-2-phenyl-quinolin-4-ol	289743	"7-Methoxy-2-phenyl-quinolin-4-ol; 7-methoxy-2-phenylquinolin-4-ol; 20430-72-2; 189816-04-4; 7-Methoxy-2-phenyl-1H-quinolin-4-one; 7-methoxy-2-phenyl-4-quinolinol; 4-hydroxy-7-methoxy-2-phenylquinoline; 7-methoxy-2-phenylquinolin-4(1H)-one; 4-hydroxy-7-methoxy-2-phenyl quinoline; CHEMBL15831; 4-hydroxy-2-phenyl-7-methoxyquinoline; F3308-2809; 4-Quinolinol, 7-methoxy-2-phenyl-; NSC151980; Lithiumtrifluoroacetate; 7-methoxy-2-phenyl-4(1H)-Quinolinone; SCHEMBL743975; 2-phenyl-7-methoxy-4-quinolinol; BDBM50044962; MFCD08274987; MFCD09057748; ZINC12647602; 7-methoxy-4-hydroxy-2-phenylquinoline; AKOS002367692; AKOS025402459; AC-9306; MCULE-8975252119; NSC-151980; SB68895; 2-phenyl-4-hydroxy-7-methoxy-quinoline; 4-hydroxy-7-methoxy -2-phenylquinoline; 4-hydroxy-2-phenyl -7-methoxyqui noline; AS-32993; CS-0172649; 4-Hydroxy-7-methoxy-2-phenylquinoline AldrichCPR; A814546; A918988; AE-562/43287039; 4-Hydroxy-7-methoxy-2-phenylquinoline, AldrichCPR; A1-04932"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151980	.	.	.	.	251.28	C16H13NO2	38.3	371	3.2	19	1	3	2	"InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)"	COC1=CC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3	JZVUAOCDNFNSGQ-UHFFFAOYSA-N
DG51967	2-[[2-(4-Chlorophenyl)-6-methoxyquinolin-8-yl]amino]cyclohexan-1-ol	289745	MLS000766166; NSC151982; CHEMBL1329726; REGID_for_CID_289745; HMS2868C09; NSC-151982; SMR000528641	.	.	Investigative Drug(s)	Investigative	Small molecular drug	151982	.	.	.	.	382.9	C22H23ClN2O2	54.4	471	5.1	27	2	4	4	"InChI=1S/C22H23ClN2O2/c1-27-17-12-15-8-11-18(14-6-9-16(23)10-7-14)25-22(15)20(13-17)24-19-4-2-3-5-21(19)26/h6-13,19,21,24,26H,2-5H2,1H3"	COC1=CC(=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)Cl)NC4CCCCC4O	CGOLNLWHMQSTSZ-UHFFFAOYSA-N
DG51968	Acoschimperoside P	289842	"Neritaloside; Acoschimperoside P; [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate; 639-01-0; 465-13-4; Stropeside, 7CI, 8CI); NSC152153; NSC707149; NSC-152153; NSC-707149; Card-20(22)-enolide,(3.beta.,5.beta.,16.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	707149	.	.	.	.	592.7	C32H48O10	141	1110	1.4	42	3	10	6	"InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16 ,19-,20+,21+,22-,23+,25+,26 ,27 ,28 ,29 ,30+,31-,32+/m1/s1"	CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O	UZQOZJNEDXAJEZ-WAIGGTDDSA-N
DG51969	"6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-"	290108	"NSC152731; Neuro_000083; CHEMBL1999998; NSC-152731; NCI60_001077; 6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	152731	.	.	.	.	302.4	C20H18N2O	30.4	455	4.4	23	0	2	2	"InChI=1S/C20H18N2O/c1-12-17-9-21-8-7-15(17)13(2)20-19(12)16-5-3-4-6-18(16)22(20)10-14-11-23-14/h3-9,14H,10-11H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC5CO5)C	DNUNVFXDBUOVBS-UHFFFAOYSA-N
DG51970	"2,4-Dichloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine"	290234	"40277-35-8; 2,4-dichloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine; 2,4-DICHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE; NSC153325; SCHEMBL5777811; DTXSID10302749; ZINC1560365; AKOS000280065; AB07325; NSC-153325; 2,4-Dichloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine; 2,4-dichloro-5,6,7,8-tetrahydro-[1]-benzothieno-[2,3-d]-pyrimidine; 2,4-Dichloro-5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidine 95+%; 2,4-dichloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153325	.	.	.	.	259.149	C10H8Cl2N2S	54	254	4.7	15	0	3	0	InChI=1S/C10H8Cl2N2S/c11-8-7-5-3-1-2-4-6(5)15-9(7)14-10(12)13-8/h1-4H2	C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)Cl	CPWQCJFDDILDOU-UHFFFAOYSA-N
DG51971	"3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine"	290348	"NSC153625; 30589-45-8; NSC-153625; 3-phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine; CHEMBL1985916; DTXSID80302791; NCI60_001088"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	153625	.	.	.	.	311.4	C21H17N3	27.6	482	5	24	1	3	1	"InChI=1S/C21H17N3/c1-2-8-15(9-3-1)19-14-24-20-13-7-6-11-17(20)16-10-4-5-12-18(16)21(24)23-22-19/h1-13,21,23H,14H2"	C1C(=NNC2N1C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5	FAYPZHNTUGZDIX-UHFFFAOYSA-N
DG51972	"Akt Inhibitor V, Triciribine"	290486	"Akt Inhibitor V, Triciribine; NSC154020; MLS002702033; API-2;NSC 154020;TCN; 2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; NSC-154020; Akt inhibitor V; tricyclic nucleoside (TCN); SCHEMBL61269; GTPL5920; CHEMBL1892348; CHEBI:91697; HMS3229A09; HMS3268N05; HMS3654C06; HSCI1_000386; CCG-206732; SB14594; NCI60_001091; SMR001565606; Akt/protein kinase B signaling inhibitor-2; DB-048898; FT-0639291; BRD-A42649439-001-01-0; BRD-A42649439-001-02-8; Q27089024; 1,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl; 1,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-; 1,5,6,8-Pentaazaacennaphthylen-3-amine, 1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-; (2R,3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.0^{4,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2S,3S,4S,5S)-2-(5-Amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 2-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,8,10-pentaen-2-yl}-5-(hydroxymethyl)oxolane-3,4-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154020	.	.	.	.	320.3	C13H16N6O4	142	507	-1.6	23	4	8	2	"InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)"	CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N	HOGVTUZUJGHKPL-UHFFFAOYSA-N
DG51973	"Methanesulfon-m-anisidide, monomethanesulfonate"	290525	"NSC154318; NSC-154318; Methanesulfon-m-anisidide, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154318	.	.	.	.	554	C23H24ClN3O7S2	161	798	.	36	3	10	6	"InChI=1S/C22H20ClN3O4S.CH4O3S/c1-29-19-6-4-5-16-21(15-9-7-13(23)11-18(15)25-22(16)19)24-17-10-8-14(12-20(17)30-2)26-31(3,27)28;1-5(2,3)4/h4-12,26H,1-3H3,(H,24,25);1H3,(H,2,3,4)"	COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O	ZMEYIYCLMKYQNO-UHFFFAOYSA-N
DG51974	"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol"	290548	"NSC154572; MLS003106405; 34315-37-2; NSC-154572; 4-(2-(((6-bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol; NCIStruc1_001795; NCIStruc2_000991; CHEMBL1330957; DTXSID40302838; CCG-37080; NCGC00014419; NCI154572; ZINC31719558; AKOS010486995; NCGC00014419-02; NCGC00097524-01; NCI60_001093; SMR001821311"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154572	.	.	.	.	350.21	C16H16BrNO3	50.7	323	3.4	21	2	4	5	"InChI=1S/C16H16BrNO3/c17-14-8-16-15(20-10-21-16)7-12(14)9-18-6-5-11-1-3-13(19)4-2-11/h1-4,7-8,18-19H,5-6,9-10H2"	C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br	QZNVRCIXEYLABT-UHFFFAOYSA-N
DG51975	"Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-"	290653	"NSC154751; ZINC1872923; NSC-154751; Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154751	.	.	.	.	273.12	C10H10Cl2N4O	61	302	2.3	17	2	2	1	"InChI=1S/C10H10Cl2N4O/c1-16(2)10(17)15-9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,1-2H3,(H2,13,14,15,17)"	CN(C)C(=O)NC1=NC2=CC(=C(C=C2N1)Cl)Cl	CSGVYPZRFHMAMW-UHFFFAOYSA-N
DG51976	"4(1H)-quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-"	290655	"MLS002702034; NSC154756; Neuro_000085; CHEMBL1903253; NCI60_001097; SMR001565607; 4(1H)-quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-; 4(1H)-Quinazolinone,3-dihydro-2-(4-methoxy-2,5-dimethylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154756	.	.	.	.	282.34	C17H18N2O2	50.4	387	3.3	21	2	3	2	"InChI=1S/C17H18N2O2/c1-10-9-15(21-3)11(2)8-13(10)16-18-14-7-5-4-6-12(14)17(20)19-16/h4-9,16,18H,1-3H3,(H,19,20)"	CC1=CC(=C(C=C1OC)C)C2NC3=CC=CC=C3C(=O)N2	GHUXDCRYHKWJLP-UHFFFAOYSA-N
DG51977	Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate	290763	NSC154966; NSC-154966; CHEMBL1328286; aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate; CCG-37905; NCGC00014422; NCI154966; NCGC00014422-02; NCGC00097527-01; NCI60_001100	.	.	Investigative Drug(s)	Investigative	Small molecular drug	154966	.	.	.	.	416.3	C16H18BrNO5S	115	373	.	24	2	6	5	"InChI=1S/C9H10BrNO2.C7H8O3S/c10-8-3-1-7(2-4-8)5-9(12)13-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,11H2;2-5H,1H3,(H,8,9,10)"	CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br	MYPWTNXKXQLTLU-UHFFFAOYSA-N
DG51978	"7-Chloro-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile"	291072	"NSC155595; MLS000766191; 7-Chloro-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile; NCIMech_000043; CHEMBL1568140; HMS2886G20; NSC-155595; NCI60_001106; SMR000528655"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	155595	.	.	.	.	283.75	C16H14ClN3	47.8	371	4	20	2	3	1	"InChI=1S/C16H14ClN3/c17-12-6-7-14-16(8-12)20-15(9-13(10-18)19-14)11-4-2-1-3-5-11/h1-8,13,15,19-20H,9H2"	C1C(NC2=C(C=C(C=C2)Cl)NC1C3=CC=CC=C3)C#N	JUEAFDHIWLJVJJ-UHFFFAOYSA-N
DG51979	"1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione"	291365	"MLS000766195; NSC156565; 71335-86-9; SMR000528657; 1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione; cid_291365; CHEMBL1509338; REGID_for_CID_291365; SCHEMBL13370284; DTXSID20303085; BDBM114547; ZINC5124960; NSC-156565; MLS000766195-02; 1-hydroxy-4-[4-(2-hydroxyethyl)anilino]-9,10-anthraquinone; 1-[[4-(2-hydroxyethyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione; 1-Hydroxy-4-((4-(2-hydroxyethyl)phenyl)amino)anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	156565	.	.	.	.	359.4	C22H17NO4	86.6	557	4.7	27	3	5	4	"InChI=1S/C22H17NO4/c24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h1-10,23-25H,11-12H2"	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO	HEIUNTCQZMXSDO-UHFFFAOYSA-N
DG51980	Nybomycin acetate	291663	"Nybomycin acetate; NSC157004; UNII-Q0R283XR4M; 35982-88-8; Q0R283XR4M; 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-pyrido(3,2-g)quinoline-1(2H)-carboxaldehyde, monoacetate; 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-pyrido[3,2-g]quinoline-1(2H)-carboxaldehyde, monoacetate; NSC 157004; 2H,4H-Oxazolo[5,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(acetyloxy)methyl]-6,11-dimethyl-; NCIMech_000464; Neuro_000089; CHEMBL1996883; DTXSID40957408; ZINC1583359; CCG-35881; [dimethyl(dioxo)[ ]yl]methyl acetate; AKOS030241278; NSC-157004; NCI60_001130; Q27286862; 2H,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(acetyloxy)methyl]-6,11-dimethyl-; Pyrido[3, 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-, monoacetate; (6,11-Dimethyl-4,10-dioxo-10,11-dihydro-2H,4H-[1,3]oxazolo[5,4,3-ij]pyrido[3,2-g]quinolin-8-yl)methyl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157004	.	.	.	.	340.3	C18H16N2O5	76.2	712	0.1	25	0	5	3	"InChI=1S/C18H16N2O5/c1-9-4-15(23)20-8-25-18-16-13(6-12(9)17(18)20)11(7-24-10(2)21)5-14(22)19(16)3/h4-6H,7-8H2,1-3H3"	CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4COC(=O)C)C	XYJPAUAINJQUMT-UHFFFAOYSA-N
DG51981	Benzyl 2-phenylhydrazinecarboxylate	291832	"40887-05-6; benzyl 2-phenylhydrazinecarboxylate; MLS002920660; N'-Phenyl(benzyloxy)carbohydrazide; Hydrazinecarboxylicacid, 2-phenyl-, phenylmethyl ester; benzyl N-anilinocarbamate; NSC157381; SCHEMBL4908338; CHEMBL2140044; Hydrazinecarboxylic acid, 2-phenyl-, phenylmethyl ester; DTXSID90303214; 3-Phenylcarbazic acid benzyl ester; ZINC1596918; AKOS024333829; MCULE-2131588228; NSC-157381; Phenylmethyl 2-Phenylhydrazinecarboxylate; SMR001798247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157381	.	.	.	.	242.27	C14H14N2O2	50.4	246	3.3	18	2	3	5	"InChI=1S/C14H14N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)"	C1=CC=C(C=C1)COC(=O)NNC2=CC=CC=C2	AOCSTDDQEMIYAG-UHFFFAOYSA-N
DG51982	"2,2'-Oxybis(1,3,2-benzodioxarsole)"	291833	"23886-57-9; 2,2'-oxybis(1,3,2-benzodioxarsole); NSC157382; Pyrocatechol, cyclic arsenite; SCHEMBL2682512; DTXSID50303215; AKOS024430196; MCULE-9219439121; NSC-157382"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157382	.	.	.	.	382.03	C12H8As2O5	46.2	273	.	19	0	5	2	InChI=1S/C12H8As2O5/c1-2-6-10-9(5-1)15-13(16-10)19-14-17-11-7-3-4-8-12(11)18-14/h1-8H	C1=CC=C2C(=C1)O[As](O2)O[As]3OC4=CC=CC=C4O3	OSBURWQDSIHTRB-UHFFFAOYSA-N
DG51983	"2-Tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol"	291903	"NSC157469; NSC-157469; 15459-04-8; NCIStruc1_001501; NCIStruc2_001652; 2-tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol; CHEMBL1741892; DTXSID30303238; ZINC1596968; CCG-37324; NCGC00014430; NCI157469; AKOS024429848; MCULE-7521715115; ALPHA2,ALPHA'2-(2,3,5,6-TETRAMETHYL-1,4-PHENYLENE)BIS(6-TERT-BUTYL-2,4-XYLENOL); NCGC00014430-02; NCGC00097535-01; NCI60_001144; 6,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bis(2-tert-butyl-4-methylphenol)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157469	.	.	.	.	486.7	C34H46O2	40.5	625	10.6	36	2	2	6	"InChI=1S/C34H46O2/c1-19-13-25(31(35)29(15-19)33(7,8)9)17-27-21(3)23(5)28(24(6)22(27)4)18-26-14-20(2)16-30(32(26)36)34(10,11)12/h13-16,35-36H,17-18H2,1-12H3"	CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C	DSJCTVARYPWIFZ-UHFFFAOYSA-N
DG51984	"N-(4-Chlorophenyl)-2,4,6-trinitroaniline"	291920	"N-(4-Chlorophenyl)-2,4,6-trinitroaniline; MLS002920666; 34749-63-8; 4'-Chloro-2,4,6-trinitrodiphenylamine; SMR001798253; N-(4-chlorophenyl)-2,4,6-trinitro-aniline; NSC157487; (4-chlorophenyl)-picryl-amine; cid_291920; SCHEMBL2681112; CHEMBL1889401; BDBM91446; DTXSID20956232; ZINC72137932; NSC-157487; 4-chlorophenyl (2,4,6-trinitrophenyl)amine; N-(4-Chlorophenyl)-2,4,6-trinitroaniline #; A822488"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157487	.	.	.	.	338.66	C12H7ClN4O6	150	444	4.1	23	1	7	2	"InChI=1S/C12H7ClN4O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H"	C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl	BVQWERYAWIDLFA-UHFFFAOYSA-N
DG51985	"2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid"	292106	"NSC157725; MLS000756282; NSC-157725; NCIStruc1_001357; NCIStruc2_001071; CHEMBL1572184; HMS2885H15; ZINC1601483; CCG-37081; NCGC00014432; NCI157725; NCGC00014432-02; NCGC00097537-01; NCI60_001146; SMR000528660; 2-[7-chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid; (7-chloro-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetic acid; (7-Chloro-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157725	.	.	.	.	329.74	C16H12ClN3O3	82.9	511	2.1	23	1	5	3	"InChI=1S/C16H12ClN3O3/c17-10-4-5-13-11(7-10)16(12-3-1-2-6-18-12)19-8-14(21)20(13)9-15(22)23/h1-7H,8-9H2,(H,22,23)"	C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=N3)CC(=O)O	OXHHEQHYXVTMEF-UHFFFAOYSA-N
DG51986	2-Formylphenylboronic acid	292189	"2-Formylphenylboronic acid; 40138-16-7; (2-formylphenyl)boronic acid; 2-Formylbenzeneboronic acid; Boronic acid, (2-formylphenyl)-; Benzaldehyde-2-boronic Acid; MFCD00151822; 2-(Dihydroxyboryl)benzaldehyde; o-formylphenylboronic acid; 2-benzaldehyde boronic acid; 2-formylphenyl boronic acid; CHEMBL139725; (2-Formylphenyl)boronic-10B acid; 269727-10-8; 2-Boronobenzaldehyde; 2-Formylphenylboronicacid; 2-Formylphenyl-Boronic Acid; 2-formylboronic acid; 2-formyl phenylboronic acid; 2-formyl-phenylboronic acid; 2-formyl benzeneboronic acid; 2-formyl phenyl boronic acid; 2-formyl-phenyl-boronic acid; 2-Formylphenylboronic acid #; 2-formyl benzene boronic acid; SCHEMBL233987; ACT04732; ALBB-006095; BCP27349; 2-FORMYLBENZENE BORONIC ACID; Boronic acid, B-(2-formylphenyl)-; BBL104402; BDBM50067904; NSC157839; STK503703; VT1189; AKOS000264852; ZINC169743254; AB03992; AC-5349; AS-2515; CS-W007320; LS00094; NSC-157839; 2-Formylphenylboronic acid, >=95.0%; SY010671; DB-010446; A6709; AM20040404; FT-0612460; EN300-40906; 138F167; A825090; J-509539; F0001-1132; (2-formylphenyl)boronic acid;2,5-Dimethylphenyl isocyanate; 2-Boronobenzaldehyde; 2-(Dihydroxyboryl)benzaldehyde;2-Formylphenylboronic acid; (2-Formylphenyl)boronic acid;2-Boronobenzaldehyde;Benzaldehyde-2-boronic Acid;2-(Dihydroxyboryl)benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	157839	.	.	.	.	149.94	C7H7BO3	57.5	138	.	11	2	3	2	"InChI=1S/C7H7BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,10-11H"	B(C1=CC=CC=C1C=O)(O)O	DGUWACLYDSWXRZ-UHFFFAOYSA-N
DG51987	"2-Methyl-1,2-benzothiazole-3(2h)-thione"	292326	"2-methyl-1,2-benzothiazole-3-thione; 2-methyl-1,2-benzothiazole-3(2h)-thione; 15871-24-6; 2-methyl-1,2-benzisothiazole-3(2H)-thione; NSC158036; CHEMBL1968829; DTXSID50303371; ZINC4823373; AKOS024339779; MCULE-3117629365; NSC-158036; NCI60_001157; AO-435/13038168"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158036	.	.	.	.	181.3	C8H7NS2	60.6	181	2.1	11	0	2	0	"InChI=1S/C8H7NS2/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3"	CN1C(=S)C2=CC=CC=C2S1	RHJDOWRMOQVRAU-UHFFFAOYSA-N
DG51988	2-(Phenethylthio)acetic acid	292540	"2-(phenethylthio)acetic acid; 99186-25-1; 2-[(2-phenylethyl)sulfanyl]acetic acid; NSC158362; [(2-phenylethyl)thio]acetic acid; [(2-phenylethyl)sulfanyl]acetic acid; 2-(2-phenylethylsulfanyl)acetic acid; NSC-158362; ((2-phenylethyl)thio)acetic acid; Maybridge3_005416; NCIStruc1_000004; NCIStruc2_000185; (2-phenylethylthio)acetic acid; SCHEMBL4574068; CHEMBL1742075; DTXSID20303444; HMS1446G04; ZINC1605957; CCG-38119; NCGC00014434; NCI158362; STK360616; AKOS000264354; MCULE-5406855931; IDI1_016803; Acetic acid, 2-[(2-phenylethyl)thio]-; NCGC00014434-02; NCGC00097539-01; NCI60_001159; CS-0244221; EN300-27369; Z228588554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158362	.	.	.	.	196.27	C10H12O2S	62.6	153	2.4	13	1	3	5	"InChI=1S/C10H12O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)"	C1=CC=C(C=C1)CCSCC(=O)O	KLWBFPUIFBSIJV-UHFFFAOYSA-N
DG51989	"2-(2,4-Dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	292555	"MLS002702038; NSC158382; CHEMBL1877184; 2-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; AKOS001308949; MCULE-5063160197; NSC-158382; NCI60_001161; SMR001565611; J3.516.250J; 4(1H)-Quinazolinone,4-dimethylphenyl)-2,3-dihydro-; Z48978208; 1,2-DIHYDRO-2-(2,4-XYLYL)-4(3H)-QUINAZOLINONE; 2-(2,4-Dimethylphenyl)-2,3-dihydroquinazoline-4(1H)-one; 173555-79-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158382	.	.	.	.	252.31	C16H16N2O	41.1	344	3.3	19	2	2	1	"InChI=1S/C16H16N2O/c1-10-7-8-12(11(2)9-10)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)"	CC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)C	FVVLOAVPINWXMY-UHFFFAOYSA-N
DG51990	"2-(2,5-Dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one"	292556	"NSC158383; 83800-95-7; 2-(2,5-dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one; MLS000756289; 2-(2,5-dimethylphenyl)-2,3-dihydro-4(1H)-quinazolinone; NSC-158383; Neuro_000092; CHEMBL1611670; 1,2-DIHYDRO-2-(2,5-XYLYL)-4(3H)-QUINAZOLINONE; DTXSID10303453; AKOS001279057; AKOS016872602; MCULE-5156104477; NCI60_001162; SMR000528664; 4(1H)-Quinazolinone,5-dimethylphenyl)-2,3-dihydro-; 4(1H)-Quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158383	.	.	.	.	252.31	C16H16N2O	41.1	344	3.3	19	2	2	1	"InChI=1S/C16H16N2O/c1-10-7-8-11(2)13(9-10)15-17-14-6-4-3-5-12(14)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)"	CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2	YJPGBNWVIDVAHH-UHFFFAOYSA-N
DG51991	"2-(3-Methylphenyl)-2,3-dihydroquinazolin-4(1h)-one"	292559	"83800-93-5; MLS002702039; 2-(m-Tolyl)-2,3-dihydroquinazolin-4(1H)-one; 2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1h)-one; NSC158388; Oprea1_502428; 2-(3-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; CHEMBL1876574; 1,2-DIHYDRO-2-(META-TOLYL)-4(3H)-QUINAZOLINONE; AKOS001310105; MCULE-8912408205; NSC-158388; NCI60_001163; SMR001565612; 4(1H)-Quinazolinone,3-dihydro-2-(3-methylphenyl)-; Z48978191; 2-(3-Methylphenyl)-1,2,3,4-tetrahydroquinazoline-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158388	.	.	.	.	238.28	C15H14N2O	41.1	318	2.9	18	2	2	1	"InChI=1S/C15H14N2O/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)"	CC1=CC(=CC=C1)C2NC3=CC=CC=C3C(=O)N2	IZRZUJFPYGNHRH-UHFFFAOYSA-N
DG51992	"2-(2-Ethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	292560	"MLS002702040; NSC-158389; NSC158389; Neuro_000093; CHEMBL192626; 2-(2-ethoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one; AKOS001302169; MCULE-3411893622; NCI60_001164; SMR001565613; Z48978391; 173555-81-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158389	.	.	.	.	268.31	C16H16N2O2	50.4	347	2.9	20	2	3	3	"InChI=1S/C16H16N2O2/c1-2-20-14-10-6-4-8-12(14)15-17-13-9-5-3-7-11(13)16(19)18-15/h3-10,15,17H,2H2,1H3,(H,18,19)"	CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2	DQLSLPJRMDWSKV-UHFFFAOYSA-N
DG51993	"2-(Naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol"	292561	"MLS003106477; NSC158390; Oprea1_157534; CHEMBL1996197; STK382844; AKOS001316111; AKOS005451809; AKOS016872279; MCULE-3301362077; NSC-158390; NCI60_001165; SMR001821379; 2-(naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol; 2-(2-Naphthyl)-1,2-dihydroquinazoline-4(3H)-one; 1,2-DIHYDRO-2-(2-NAPHTHYL)-4(3H)-QUINAZOLINONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158390	.	.	.	.	274.3	C18H14N2O	41.1	397	3.8	21	2	2	1	"InChI=1S/C18H14N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17,19H,(H,20,21)"	C1=CC=C2C=C(C=CC2=C1)C3NC4=CC=CC=C4C(=O)N3	FPWOVEKUXZJCTE-UHFFFAOYSA-N
DG51994	"2-(2,6-Dichlorophenyl)-2,3-dihydroquinazolin-4(1h)-one"	292562	"83800-94-6; 2-(2,6-dichlorophenyl)-2,3-dihydroquinazolin-4(1h)-one; NSC158391; CHEMBL2000876; 2-(2,6-DICHLOROPHENYL)-1,2-DIHYDRO-4(3H)-QUINAZOLINONE; AKOS001291356; AKOS016872588; MCULE-1331372128; NSC-158391; NCI60_001166; Z48978407; 2-(2,6-dichlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158391	.	.	.	.	293.1	C14H10Cl2N2O	41.1	342	3.8	19	2	2	1	"InChI=1S/C14H10Cl2N2O/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7,13,17H,(H,18,19)"	C1=CC=C2C(=C1)C(=O)NC(N2)C3=C(C=CC=C3Cl)Cl	XNEJBORZTLAGGQ-UHFFFAOYSA-N
DG51995	N-(4-Methylbenzyl)-4-bromoaniline	292569	CHEMBL1993147; NSC158399; ZINC505995; 4-bromo-N-(4-methylbenzyl)aniline; N-(4-Methylbenzyl)-4-bromoaniline; BDBM50489076; AKOS000241129; NSC-158399; NCI60_001167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	158399	.	.	.	.	276.17	C14H14BrN	12	191	4.5	16	1	1	3	"InChI=1S/C14H14BrN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-9,16H,10H2,1H3"	CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br	WJKFEXKYOWOJPT-UHFFFAOYSA-N
DG51996	"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate"	292969	NSC159242; MLS003106504; CHEMBL1868219; SCHEMBL15413528; ZINC1610392; NSC-159242; SMR001821405	.	.	Investigative Drug(s)	Investigative	Small molecular drug	159242	.	.	.	.	462.5	C28H30O6	71.1	629	5.9	34	0	6	10	"InChI=1S/C28H30O6/c1-17-7-9-22(19(3)11-17)24-13-21(33-26(29)15-31-5)14-25(28(24)34-27(30)16-32-6)23-10-8-18(2)12-20(23)4/h7-14H,15-16H2,1-6H3"	CC1=CC(=C(C=C1)C2=CC(=CC(=C2OC(=O)COC)C3=C(C=C(C=C3)C)C)OC(=O)COC)C	BMWURCBFBVQLJI-UHFFFAOYSA-N
DG51997	"5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate"	293131	"105201-55-6; 5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate; [3,8-diacetyloxy-6-methyl-4-propan-2-yl-7-(1,6,7-triacetyloxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)naphthalen-2-yl] acetate; (+)-Apogossypol Hexaacetate; NSC159451; (-)-Apogossypol Hexaacetate; APOGOSSYPOL HEXAACETATE; Racemic Apogossypol Hexaacetate; DTXSID90303633; ZINC4533741; NSC732804; NSC732805; NSC734247; NSC-159451; NSC-732804; NSC-732805; NSC-734247"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	732805	.	.	.	.	714.8	C40H42O12	158	1240	7.5	52	0	12	15	"InChI=1S/C40H42O12/c1-17(2)33-27-13-19(5)35(37(49-23(9)43)29(27)15-31(47-21(7)41)39(33)51-25(11)45)36-20(6)14-28-30(38(36)50-24(10)44)16-32(48-22(8)42)40(52-26(12)46)34(28)18(3)4/h13-18H,1-12H3"	CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C	MBTWPLWRPAVISC-UHFFFAOYSA-N
DG51998	5-F-Anhydro-ara-C hydrochloride	293603	"5-Fluorocyclocytidine; 5'-Fluorocyclocytidine; Anhydro-arabinosyl-5-fluoro-cytosine hydrochloride; MLS002702049; 5-F-Anhydro-ara-C hydrochloride; NSC166641; Cyclo cytidine, 5-fluoro-, hydrochloride; O2,2'-Cyclocytidine, 5-fluoro-, monohydrochloride; CHEMBL1732521; NCI60_001309; SMR001565621; MLS002702049-02; 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride; 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1); 7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol; 7-fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[ ]:[ ]]oxazolo[[ ]]pyrimidin-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166641	.	.	.	.	243.19	C9H10FN3O4	98.4	438	-2.1	17	3	6	1	"InChI=1S/C9H10FN3O4/c10-3-1-13-8-6(5(15)4(2-14)16-8)17-9(13)12-7(3)11/h1,4-6,8,11,14-15H,2H2"	C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F	PAYBYKKERMGTSS-UHFFFAOYSA-N
DG51999	"[methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate"	293865	"NSC161128; CHEMBL1988821; [methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate; ZINC1619344; NSC-161128; NCI60_001198; Urea, N-[[(dimethylamino)thioxomethyl]thio]-N-methyl-N'-phenyl-; ((((((Dimethylamino)carbothioyl)thio)(methyl)amino)carbonyl)amino)benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	161128	.	.	.	.	269.4	C11H15N3OS2	93	278	1.9	17	1	3	3	"InChI=1S/C11H15N3OS2/c1-13(2)11(16)17-14(3)10(15)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,15)"	CN(C)C(=S)SN(C)C(=O)NC1=CC=CC=C1	DKRAKKBEWHKUMN-UHFFFAOYSA-N
DG52000	NSC162047	294096	"1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-; NSC162047; CHEMBL1976836; NSC-162047; NCI60_001205; 1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162047	.	.	.	.	702.3	C21H12F18O6	112	1010	5.1	45	3	24	9	"InChI=1S/C21H12F18O6/c22-16(23,24)13(43,17(25,26)27)6-10(40)9-2-7(4-11(41)14(44,18(28,29)30)19(31,32)33)1-8(3-9)5-12(42)15(45,20(34,35)36)21(37,38)39/h1-3,43-45H,4-6H2"	C1=C(C=C(C=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)CC(=O)C(C(F)(F)F)(C(F)(F)F)O	HGUWWQSCJRFGHZ-UHFFFAOYSA-N
DG52001	"2-Oxazolamine,3-dihydro-1H-inden-5-yl)-4,5-dihydro-"	294117	"NSC162083; CHEMBL388354; SCHEMBL2798318; ZINC1623476; NSC-162083; NCI60_001207; 2-Oxazolamine,3-dihydro-1H-inden-5-yl)-4,5-dihydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162083	.	.	.	.	202.25	C12H14N2O	33.6	264	2	15	1	2	2	"InChI=1S/C12H14N2O/c1-2-9-4-5-11(8-10(9)3-1)14-12-13-6-7-15-12/h4-5,8H,1-3,6-7H2,(H,13,14)"	C1CC2=C(C1)C=C(C=C2)NC3=NCCO3	WFWKKOBZBLAREI-UHFFFAOYSA-N
DG52002	"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone"	294204	"NSC162215; 34844-36-5; NSC-162215; 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone; CHEMBL1998349; DTXSID10303812; NCI60_001210"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162215	.	.	.	.	320.25	C11H10F6O2S	65.5	351	3.9	20	1	9	4	"InChI=1S/C11H10F6O2S/c1-2-6(8(18)7-4-3-5-20-7)9(19,10(12,13)14)11(15,16)17/h3-6,19H,2H2,1H3"	CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O	NYGZGAZDWNXLMT-UHFFFAOYSA-N
DG52003	3-Chloro-10-methylacridin-9(10h)-one	294452	"3-chloro-10-methylacridin-9(10h)-one; 58658-41-6; MLS003106547; 9-Acridanone, 3-chloro-10-methyl-; 3-chloro-10-methylacridin-9-one; NSC162887; CHEMBL1881614; SCHEMBL11374483; DTXSID10303857; ZINC5010498; NSC-162887; 3-Chloro-10-methylacridine-9(10H)-one; NCI60_001217; SMR001821446"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	162887	.	.	.	.	243.69	C14H10ClNO	20.3	319	3.7	17	0	2	0	"InChI=1S/C14H10ClNO/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)16/h2-8H,1H3"	CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl	IBBMWCKISGYFMK-UHFFFAOYSA-N
DG52004	Diketocoriolin B	294475	"Diketocoriolin B; NSC163027; 34864-30-7; CHEMBL1965894; DTXSID00956351; ZINC73311935; NSC-163027; NCI60_001220; 3a,5,5-trimethyl-2,7-dioxooctahydro-3ah-spiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3,2'-oxiran]-4-yl octanoate; Octanoic acid,3.beta.,3a.beta.,3b.alpha.,4.alpha.,6a.alpha.,7aR*))-octahydro-3a,5,5-trimethyl-2,7-dioxospiro(cyclopenta[4,5]pentaleno[1,6a-b]-oxirene-3(3aH),2'-oxiran)-4-yl ester; Octanoic acid,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-yl ester, [1aS-(1a.alpha.,3.beta.,3a.beta.,3b.alpha.,4.alpha.,6a.beta.,7aR*)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163027	.	.	.	.	404.5	C23H32O6	85.5	788	3.6	29	0	6	8	"InChI=1S/C23H32O6/c1-5-6-7-8-9-10-14(24)28-18-15-13(11-20(18,2)3)16(25)23-19(29-23)17(26)22(12-27-22)21(15,23)4/h13,15,18-19H,5-12H2,1-4H3/t13-,15-,18+,19+,21+,22-,23+/m1/s1"	CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@@]34[C@@]2([C@@]5(CO5)C(=O)[C@@H]3O4)C	WEFMOIXWHANDPP-BAPOVYBWSA-N
DG52005	"2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate"	294609	"NSC163443; MLS000756315; NSC-163443; NCIMech_000426; NCIStruc1_001343; NCIStruc2_001926; CHEMBL1374334; SCHEMBL20526838; 2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-6-yl)ethyl benzoate; ZINC1635676; CCG-35930; CCG-36916; NCGC00014455; NCI163443; NCGC00014455-02; NCGC00014455-03; NCGC00097560-01; NCGC00097560-02; NCI60_001239; SMR000528676"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163443	.	.	.	.	394.5	C26H22N2O2	44.1	604	5.7	30	0	3	5	"InChI=1S/C26H22N2O2/c1-17-22-16-27-13-12-20(22)18(2)25-24(17)21-10-6-7-11-23(21)28(25)14-15-30-26(29)19-8-4-3-5-9-19/h3-13,16H,14-15H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCOC(=O)C5=CC=CC=C5)C	PPANGFXMJDUHNG-UHFFFAOYSA-N
DG52006	Acivicin	294641	"acivicin; 42228-92-2; Antibiotic AT 125; AT-125; Acivicine; Acivicino; Acivicinum; AT 125; NSC-163501; ACIA; NSC 163501; NSC163501; (2S)-2-Amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; UNII-O0X60K76I6; U 42126; U-42,126; U-42126; (alphaS,5S)-alpha-Amino-3-chloro-2-isoxazoline-5-acetic acid; CHEBI:74545; (S)-2-Amino-2-((S)-3-chloro-4,5-dihydroisoxazol-5-yl)acetic acid; O0X60K76I6; (alpha-S,5S)-alpha-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; U 42,126; (2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid; Acivicin [USAN:INN]; Acivicine [INN-French]; Acivicinum [INN-Latin]; Acivicino [INN-Spanish]; C5H7ClN2O3; NCGC00095996-01; BRN 1074648; Spectrum_000343; Acivicin (USAN/INN); Spectrum3_001857; Spectrum4_000902; Spectrum5_001706; NCIMech_000028; SCHEMBL4159; DSSTox_CID_26010; DSSTox_RID_81286; DSSTox_GSID_46010; BSPBio_003274; KBioGR_001364; KBioSS_000823; DivK1c_000672; SPECTRUM1502002; Acivicin, >=98% (HPLC); CHEMBL1231101; DTXSID0046010; GTPL11402; HMS502B14; KBio1_000672; KBio2_000823; KBio2_003391; KBio2_005959; KBio3_002775; NINDS_000672; AT125; 76898-56-1; ZINC3871381; Tox21_111545; (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; (alphaS,5S)-alpha-Amino-3-chlor-4,5-dihydro-5-isoxazolylessigsaeure; (S-(R*,R*))-4,5-Dihydro-alpha-amino-3-chloro-5-isoxazoleacetic acid; CCG-35436; MFCD00866432; AKOS027327575; L-(alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; CS-W017302; HY-W016586; IDI1_000672; NCGC00178172-01; AS-56028; NCI60_001241; CAS-42228-92-2; X6878; D02755; A825818; Q4674217; 5-Isoxazoleacetic acid,5-dihydro-, [S-(R*,R*)]-; BRD-K11632748-001-02-5; (2S)-amino[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]ethanoic acid; (a-S, 5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid; (alphaS,5S)-alpha-amino-3-chloro- 4,5-dihydro-5-isoxazol-acetic acid; (alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazol-acetic acid; (alphaS,5S)-alpha-amino-3-chloro-4,5-dihydro-5-isoxazole acetic acid; .alpha.-Amino-3-chloro-4,5-dihydro-[S-(R*,R*)]-5-isoxazoleacetatic acid; 5-Isoxazoleacetic acid, alpha-amino-3-chloro-4,5-dihydro-, (S-(R*,R*))-; 5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-alpha-AMINO-3-CHLORO-, (S-(R*,R*))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163501	.	.	.	.	178.57	C5H7ClN2O3	84.9	206	-2.7	11	2	5	2	"InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1"	C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N	QAWIHIJWNYOLBE-OKKQSCSOSA-N
DG52007	(2-Dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane	294741	"51678-00-3; NSC163664; DTXSID20303949; (2-dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane; NSC-163664; Arsinothious acid, 2,4-pyrimidinediyl ester; DIMETHYLARSINOTHIOUS ACID,4-PYRIMIDINEDIYL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163664	.	.	.	.	352.2	C8H14As2N2S2	76.4	169	.	14	0	4	4	"InChI=1S/C8H14As2N2S2/c1-9(2)13-7-5-6-11-8(12-7)14-10(3)4/h5-6H,1-4H3"	C[As](C)SC1=NC(=NC=C1)S[As](C)C	MDWJHUUGASJAGQ-UHFFFAOYSA-N
DG52008	"N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline"	294848	"MLS000756325; 6731-01-7; NSC163910; N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitroaniline; CHEMBL1413007; DTXSID50304020; HMS2885I06; ZINC17465965; AKOS024429067; MCULE-8931451221; NSC-163910; SMR000528681"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	163910	.	.	.	.	441.3	C18H11N5O9	205	708	4.9	32	1	10	4	"InChI=1S/C18H11N5O9/c24-20(25)12-3-7-15(16(9-12)22(28)29)19-11-1-5-14(6-2-11)32-18-8-4-13(21(26)27)10-17(18)23(30)31/h1-10,19H"	C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]	CMNWVSMJEYBPCQ-UHFFFAOYSA-N
DG52009	"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole"	294879	NSC164018; CHEMBL2005002; ZINC13281455; NSC-164018; NCI60_001251	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164018	.	.	.	.	364.9	C23H25ClN2	17.8	456	6.7	26	0	1	6	"InChI=1S/C23H25ClN2/c1-16-20-15-25-13-11-18(20)17(2)23-22(16)19-9-5-6-10-21(19)26(23)14-8-4-3-7-12-24/h5-6,9-11,13,15H,3-4,7-8,12,14H2,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCCl)C	QXRJZUMTRPUNTN-UHFFFAOYSA-N
DG52010	N-(3-chloro-4-methylphenyl)-2-(4-chlorophenoxy)acetamide	295211	N-(3-chloro-4-methylphenyl)-2-(4-chlorophenoxy)acetamide; NSC164371; Oprea1_264915; Oprea1_423006; CHEMBL1979025; ZINC399573; STK209839; AKOS001402750; CCG-348414; MCULE-8713150472; NSC-164371; 3'-CHLORO-2-(4-CHLOROPHENOXY)-4'-METHYLACETANILIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164371	.	.	.	.	310.2	C15H13Cl2NO2	38.3	319	5	20	1	2	4	"InChI=1S/C15H13Cl2NO2/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)"	CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl)Cl	NAJZUPOKXMXWBW-UHFFFAOYSA-N
DG52011	"2-[(3,5-Dibromo-2-ethoxyphenyl)methylidene]propanedinitrile"	295572	"NSC164970; CHEMBL1981601; 2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]propanedinitrile; ZINC640458; MCK103032; AKOS024430252; MCULE-2311085014; NSC-164970; NCI60_001262; Propanedinitrile,5-dibromo-2-ethoxyphenyl)methylene]-; (3,5-DIBROMO-2-ETHOXYBENZYLIDENE)-MALONONITRILE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164970	.	.	.	.	356.01	C12H8Br2N2O	56.8	372	3.7	17	0	3	3	"InChI=1S/C12H8Br2N2O/c1-2-17-12-9(3-8(6-15)7-16)4-10(13)5-11(12)14/h3-5H,2H2,1H3"	CCOC1=C(C=C(C=C1Br)Br)C=C(C#N)C#N	STZBTXRTNMNVGJ-UHFFFAOYSA-N
DG52012	"3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione"	295583	"3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione; 93429-24-4; NSC164981; UNII-73JC4A352T; 73JC4A352T; NSC 164981; 3-benzyl-5-propan-2-yl-1,3,5-thiadiazinane-2-thione; ChemDiv3_012881; Oprea1_449153; MLS000683003; CHEMBL1400005; DTXSID50239424; HMS1509J11; HMS2714B03; CCG-34013; ZINC23153917; AKOS024582680; MCULE-5109094821; NSC-164981; NCGC00246605-01; NCI60_001263; SMR000323065; SR-01000571327; SR-01000571327-1; BRD-K21062423-001-01-7; F0547-0157; 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(1-methylethyl)-3-(phenylmethyl)-; 2H-1,5-Thiadiazine-2-thione, tetrahydro-5-(1-methylethyl)-3-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164981	.	.	.	.	266.4	C13H18N2S2	63.9	262	3.6	17	0	3	3	"InChI=1S/C13H18N2S2/c1-11(2)15-9-14(13(16)17-10-15)8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3"	CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2	UNAZWQQECWZDDN-UHFFFAOYSA-N
DG52013	"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione"	295591	MLS000756343; NSC164991; Oprea1_770419; CHEMBL1325880; HMS2885N08; MCULE-8395055326; NSC-164991; SMR000528689	.	.	Investigative Drug(s)	Investigative	Small molecular drug	164991	.	.	.	.	367.2	C16H12Cl2N2O2S	88.7	479	3.6	23	1	4	3	"InChI=1S/C16H12Cl2N2O2S/c17-10-6-5-9(7-11(10)18)20-15(21)8-14(16(20)22)23-13-4-2-1-3-12(13)19/h1-7,14H,8,19H2"	C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=C3N	GJEPFNGOMIWOHX-UHFFFAOYSA-N
DG52014	"2-Amino-6-chloropyridine-3,5-dicarbonitrile"	295901	"2-amino-6-chloropyridine-3,5-dicarbonitrile; 51768-01-5; 2-Amino-6-chloro-3,5-dicyanopyridine; 2-amino-6-chloro-3,5-pyridinedicarbonitrile; NSC165528; 3, 2-amino-6-chloro-; SCHEMBL3369289; CHEMBL1973945; DTXSID90304367; MFCD00204019; ZINC26894918; AKOS006345212; NSC-165528; QC-6498; 2-Amino-6-chloro-3,5-dicyanopyridine ; NCGC00188748-01; NCI60_001268; DB-082242; 2-Chloro-6-aminopyridine-3,5-dicarbonitrile; AM20061274; CS-0237838; FT-0691550; Z2500; 2-amino-6-chloropyridine-3,5-dicarbo-nitrile; E70466; J-507984"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165528	.	.	.	.	178.58	C7H3ClN4	86.5	259	1.5	12	1	4	0	"InChI=1S/C7H3ClN4/c8-6-4(2-9)1-5(3-10)7(11)12-6/h1H,(H2,11,12)"	C1=C(C(=NC(=C1C#N)Cl)N)C#N	OKTHXARAGRKGBQ-UHFFFAOYSA-N
DG52015	Deoxynyboquinone	295934	"Deoxynyboquinone; 96748-86-6; NSC165572; 1,4,6-Trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetraone; 1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone; Deoxynyboqionone; CHEMBL1972926; SCHEMBL14873825; 1,4,6-trimethyl-9H-pyrido[3,2-g]quinoline-2,5,8,10-tetrone; NSC-165572; NCI60_001271; HY-108992; CS-0033907; Pyrido[3,5,8,10(1H,9H)-tetrone, 1,4,6-trimethyl-; 8-hydroxy-1,4,6-trimethyl-pyrido[3,2-g]quinoline-2,5,10-trione; {Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone,} 1,4,6-trimethyl-; 8-Hydroxy-1,4,6-trimethylpyrido[3,2-g]quinoline-2,5,10(1H)-trione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165572	.	.	.	.	284.27	C15H12N2O4	83.6	778	-0.7	21	1	4	0	"InChI=1S/C15H12N2O4/c1-6-4-8(18)16-12-10(6)14(20)11-7(2)5-9(19)17(3)13(11)15(12)21/h4-5H,1-3H3,(H,16,18)"	CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C	KJYPAIRTXRKKHG-UHFFFAOYSA-N
DG52016	S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate	296105	"NSC165897; 40448-85-9; S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate; MLS002703021; 2-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOIC ACID, S-ETHYL ESTER; NSC 165897; S-ethyl 2-cyano-6-methoxy-2H-quinoline-1-carbothioate; NCIMech_000243; CHEMBL1706468; NSC-165897; NCI60_001281; SMR001566829; 1(2H)Quinolinecarbothioic acid, S-ethyl ester; 1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester; 1(2H)Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	165897	.	.	.	.	274.34	C14H14N2O2S	78.6	415	2.9	19	0	4	3	"InChI=1S/C14H14N2O2S/c1-3-19-14(17)16-11(9-15)5-4-10-8-12(18-2)6-7-13(10)16/h4-8,11H,3H2,1-2H3"	CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N	RRBZCSKOQKCQJF-UHFFFAOYSA-N
DG52017	4-Thiocyanato-benzenesulfonamide	296284	4-Thiocyanato-benzenesulfonamide; CHEMBL363086; NSC166291; SCHEMBL16407107; ZINC1655602; BDBM50155502; NSC-166291; NCI60_001289	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166291	.	.	.	.	214.3	C7H6N2O2S2	118	303	1.2	13	1	5	2	"InChI=1S/C7H6N2O2S2/c8-5-12-6-1-3-7(4-2-6)13(9,10)11/h1-4H,(H2,9,10,11)"	C1=CC(=CC=C1SC#N)S(=O)(=O)N	JAOXYZVWRQDPGB-UHFFFAOYSA-N
DG52018	"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-"	296321	"NSC166381; NCIMech_000475; CHEMBL1989048; CCG-35721; ZINC102933803; NSC-166381; NCI60_001294; 9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166381	.	.	.	.	383.5	C21H25N3O2S	81.1	512	1.8	27	2	6	5	"InChI=1S/C21H25N3O2S/c1-23-10-12-24(13-11-23)9-8-22-17-7-6-15(14-25)21-19(17)20(26)16-4-2-3-5-18(16)27-21/h2-7,22,25H,8-14H2,1H3"	CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O	ZBTCQRIBGXSGEE-UHFFFAOYSA-N
DG52019	"Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-"	296462	"NSC166624; CHEMBL1990169; NSC-166624; NCI60_001306; Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-; Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-, hydrate (4:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166624	.	.	.	.	346.34	C16H18N4O5	124	585	1.1	25	3	5	4	"InChI=1S/C16H18N4O5/c1-9-2-4-10(5-3-9)14(23)18-15-17-8-20(16(24)19-15)13-6-11(22)12(7-21)25-13/h2-5,8,11-13,21-22H,6-7H2,1H3,(H,18,19,23,24)"	CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=N2)C3CC(C(O3)CO)O	CQWYJPHRKVKMEU-UHFFFAOYSA-N
DG52020	"5,6-dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	296473	"NSC166637; MLS003106612; NSC-166637; NCIStruc1_001559; NCIStruc2_001958; CHEMBL1489359; CCG-36945; NCGC00014472; NCI166637; ZINC31719790; NCGC00014472-02; NCGC00097577-01; NCI60_001307; SMR001821505; 5,6-dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166637	.	.	.	.	384.18	C13H14Cl2F3N5O	56.1	427	2.8	24	0	8	4	"InChI=1S/C13H14Cl2F3N5O/c14-8-9(15)20-11-10(19-8)21-12(13(16,17)18)23(11)3-1-2-22-4-6-24-7-5-22/h1-7H2"	C1COCCN1CCCN2C3=C(N=C(C(=N3)Cl)Cl)N=C2C(F)(F)F	SEVICFAAJPXUER-UHFFFAOYSA-N
DG52021	"ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	296474	"NSC166638; MLS002702048; NSC-166638; NCIStruc1_001599; NCIStruc2_001950; CHEMBL1532319; ZINC1659789; CCG-37167; NCGC00014473; NCI166638; NCGC00014473-02; NCGC00097578-01; NCI60_001308; SMR001565620; ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	166638	.	.	.	.	343.09	C10H7Cl2F3N4O2	69.9	401	3.2	21	0	8	4	"InChI=1S/C10H7Cl2F3N4O2/c1-2-21-4(20)3-19-8-7(16-5(11)6(12)17-8)18-9(19)10(13,14)15/h2-3H2,1H3"	CCOC(=O)CN1C2=C(N=C(C(=N2)Cl)Cl)N=C1C(F)(F)F	GPUPKROWDMLUBY-UHFFFAOYSA-N
DG52022	"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	296636	"NSC167063; CHEMBL1986220; ZINC1659965; NSC-167063; NCI60_001319; Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167063	.	.	.	.	222.5	C6H2Cl3N3	49.6	200	1.9	12	0	3	1	"InChI=1S/C6H2Cl3N3/c7-5(8)4-2-11-3(1-10)6(9)12-4/h2,5H"	C1=C(N=C(C(=N1)C#N)Cl)C(Cl)Cl	GYBZCEWRLOKTNT-UHFFFAOYSA-N
DG52023	2-Bromo-2-methyl-1-indanone	296770	"2-Bromo-2-methyl-1-indanone; NSC167249; 5728-91-6; NSC 167249; 2-bromo-2-methyl-indan-1-one; CHEMBL1972380; SCHEMBL10909881; 1H-Inden-1-one,3-dihydro-2-methyl-; NSC-167249; NCI60_001322; 1H-Inden-1-one, 2-bromo-2,3-dihydro-2-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167249	.	.	.	.	225.08	C10H9BrO	17.1	214	2.7	12	0	1	0	"InChI=1S/C10H9BrO/c1-10(11)6-7-4-2-3-5-8(7)9(10)12/h2-5H,6H2,1H3"	CC1(CC2=CC=CC=C2C1=O)Br	RECHMHWGWSZYCV-UHFFFAOYSA-N
DG52024	"4,8,9,9-Tetracarbonitrile, 3a,4,7,7a-tetrahydro-"	296973	"NSC167550; CHEMBL1972033; NSC-167550; NCI60_001326; 4,8,9,9-tetracarbonitrile, 3a,4,7,7a-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	167550	.	.	.	.	246.27	C15H10N4	95.2	672	0.9	19	0	4	0	"InChI=1S/C15H10N4/c16-6-14(7-17)12-4-5-13(15(14,8-18)9-19)11-3-1-2-10(11)12/h1-2,4-5,10-13H,3H2"	C1C=CC2C1C3C=CC2C(C3(C#N)C#N)(C#N)C#N	CYSTZUCLHDKJNU-UHFFFAOYSA-N
DG52025	"5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester)"	297252	"NSC168221; MLS003106691; NCIMech_000005; CHEMBL1905641; ZINC1669237; CCG-35211; NSC-168221; NCI60_001333; SMR001821583; 5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester); 5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168221	.	.	.	.	286.4	C15H14N2O2S	67.7	353	2.6	20	0	5	4	"InChI=1S/C15H14N2O2S/c1-11(18)19-9-8-17-12-4-2-3-5-14(12)20-15-10-16-7-6-13(15)17/h2-7,10H,8-9H2,1H3"	CC(=O)OCCN1C2=C(C=NC=C2)SC3=CC=CC=C31	OFVSUBFHWAFLLQ-UHFFFAOYSA-N
DG52026	"5,3,3-Trifluoro-2-trifluoromethyl)propyl]benzoxazole"	297305	"NSC168415; NCIMech_000399; CHEMBL1973730; ZINC1669309; CCG-35925; NSC-168415; NCI60_001335; 5,3,3-trifluoro-2-trifluoromethyl)propyl]benzoxazole; Benzoxazole,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168415	.	.	.	.	309.21	C13H9F6NO	26	400	5.2	21	0	8	1	"InChI=1S/C13H9F6NO/c1-6-3-8-9(4-7(6)2)21-11(20-8)5-10(12(14,15)16)13(17,18)19/h3-5H,1-2H3"	CC1=CC2=C(C=C1C)OC(=N2)C=C(C(F)(F)F)C(F)(F)F	LVXLMKQEGJQKKG-UHFFFAOYSA-N
DG52027	"Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester"	297307	"6768-20-3; Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester; NSC168418; Malonic acid, (o-chlorobenzylidene)-, diethyl ester; CHEMBL1991082; SCHEMBL11781170; DTXSID60304935; ZINC1669311; NSC-168418; NCI60_001336; Diethyl 2-(2-chlorobenzylidene)malonate #; (o-Chlorobenzylidene)malonic acid diethyl ester; [(2-Chlorophenyl)methylene]propanedioic acid, diethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168418	.	.	.	.	282.72	C14H15ClO4	52.6	331	3.1	19	0	4	7	"InChI=1S/C14H15ClO4/c1-3-18-13(16)11(14(17)19-4-2)9-10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3"	CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)OCC	OJWGHOBMLQZGJO-UHFFFAOYSA-N
DG52028	"2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene"	297389	"UNII-EO9Y3CZ0PC; NSC168516; EO9Y3CZ0PC; 20306-76-7; 2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene; NSC 168516; CHEMBL1966767; DTXSID60174195; 2,2',5,5'-Tetramethoxy-bibenzyl; ZINC1673675; NSC-168516; NCI60_001341; Benzene,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-; Benzene, {1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-}; 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethoxy-benzene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	168516	.	.	.	.	302.4	C18H22O4	36.9	280	4	22	0	4	7	"InChI=1S/C18H22O4/c1-19-15-7-9-17(21-3)13(11-15)5-6-14-12-16(20-2)8-10-18(14)22-4/h7-12H,5-6H2,1-4H3"	COC1=CC(=C(C=C1)OC)CCC2=C(C=CC(=C2)OC)OC	PJPONKMXDCEBRP-UHFFFAOYSA-N
DG52029	"2-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione"	297961	"MLS002702056; SMR001565628; 1621-85-8; NSC169517; cid_297961; CHEMBL1730762; BDBM80758; DTXSID40305162; NSC-169517; 2-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione; NCI60_001357; p-Benzoquinone,7-dihydroxy-4-oxo-2-chromanyl)- 5-methoxy-; 2-(5,7-dihydroxy-4-keto-chroman-2-yl)-5-methoxy-p-benzoquinone; 2-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione; 2-[5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-2-yl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169517	.	.	.	.	316.26	C16H12O7	110	618	1	23	2	7	2	"InChI=1S/C16H12O7/c1-22-14-5-9(18)8(4-10(14)19)13-6-12(21)16-11(20)2-7(17)3-15(16)23-13/h2-5,13,17,20H,6H2,1H3"	COC1=CC(=O)C(=CC1=O)C2CC(=O)C3=C(C=C(C=C3O2)O)O	LALMIDHSHXJNPR-UHFFFAOYSA-N
DG52030	"(S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione"	298076	"24613-06-7; Razoxane, (R)-; ICRF-186; UNII-GGX7PSE8Z2; NSC169779; GGX7PSE8Z2; (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE; NSC-169779; (R)-4,4'-(propane-1,2-diyl)bis(piperazine-2,6-dione); Levrazoxane; NCIMech_000085; NCIMech_000121; ICRF 186; SCHEMBL3339694; CHEMBL1231714; DTXSID50305214; 2, 4,4'-propylenedi-, (-)-; 2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (R)-; 4-[(2R)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione; CCG-35198; CCG-35213; ZINC87515510; NCI60_001366; (R)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 2, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (R)-; (R)-(-)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane; 4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione; Q27458761; UNII-5AR83PR647 component BMKDZUISNHGIBY-SSDOTTSWSA-N; 2,6-Piperazinedione, 4,4'-((1R)-1-methyl-1,2-ethanediyl)bis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	169779	.	.	.	.	268.27	C11H16N4O4	98.8	404	-1.4	19	2	6	3	"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1"	C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	BMKDZUISNHGIBY-SSDOTTSWSA-N
DG52031	"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene"	298141	"MLS003106734; CHEMBL1094498; 5320-36-5; 1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene; NSC170006; cid_298141; DTXSID40305243; ZINC1678641; BDBM50316629; NSC-170006; SMR001821624"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170006	.	.	.	.	384.4	C22H24O6	55.4	460	4.6	28	0	6	7	"InChI=1S/C22H24O6/c1-23-17-11-15(12-18(24-2)21(17)27-5)13-7-8-14-10-19(25-3)22(28-6)20(26-4)16(14)9-13/h7-12H,1-6H3"	COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C(=C(C=C3C=C2)OC)OC)OC	HGKHSTXOENHPFT-UHFFFAOYSA-N
DG52032	2-Nitroacridine	298500	2-Nitroacridine; 29808-81-9; 7-nitroacridine; NSC170669; POTASSIUMACRYLATE; CHEMBL2005055; DTXSID60305402; ZINC5011171; MFCD07776937; NSC-170669; AS-56603; CS-0359347; D93049	.	.	Investigative Drug(s)	Investigative	Small molecular drug	170669	.	.	.	.	224.21	C13H8N2O2	58.7	302	3.1	17	0	3	0	InChI=1S/C13H8N2O2/c16-15(17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H	C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)[N+](=O)[O-]	VAPQAGMSICPBKJ-UHFFFAOYSA-N
DG52033	"(1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]"	298782	"20743-79-7; NSC171111; CHEMBL1984617; DTXSID60305563; NSC-171111; NCI60_001383; (1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	171111	.	.	.	.	318.3	C18H14N4O2	85.7	404	2.7	24	0	6	4	"InChI=1S/C18H14N4O2/c1-11-3-7-13(8-4-11)15(23)17-19-21-18(22-20-17)16(24)14-9-5-12(2)6-10-14/h3-10H,1-2H3"	CC1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=C(C=C3)C	PISDYKCQRFNUMI-UHFFFAOYSA-N
DG52034	"3-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide"	298930	"MLS000756380; 64724-88-5; CHEMBL1492532; 3-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide; NSC171303; Oprea1_372108; SCHEMBL11149506; DTXSID10305634; ZINC5064462; BDBM50392857; NSC-171303; SMR000528705; 3-nitro-N-(5-nitro-2-thiazolyl)benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	171303	.	.	.	.	294.25	C10H6N4O5S	162	409	2.8	20	1	7	2	"InChI=1S/C10H6N4O5S/c15-9(6-2-1-3-7(4-6)13(16)17)12-10-11-5-8(20-10)14(18)19/h1-5H,(H,11,12,15)"	C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)[N+](=O)[O-]	QFPGKQYYQDTOFV-UHFFFAOYSA-N
DG52035	"4-amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	299517	"22256-94-6; NSC172599; Probes1_000330; Probes2_000478; SCHEMBL6471469; DTXSID50305911; NSC-172599; DS-009216; 4-amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-hydrazino-7-b-d-ribofuranosyl-(8ci,9ci)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172599	.	.	.	.	321.29	C12H15N7O4	189	487	-1.5	23	6	10	3	"InChI=1S/C12H15N7O4/c13-1-4-6-9(14)16-3-17-11(6)19(10(4)18-15)12-8(22)7(21)5(2-20)23-12/h3,5,7-8,12,18,20-22H,2,15H2,(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N	LYPULEQVVXPJJR-UHFFFAOYSA-N
DG52036	"9H-Purin-2-amine, 9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	299525	"NSC172614; MLS002702059; 61552-41-8; 61552-42-9; SCHEMBL13742861; DTXSID40977121; NSC172613; NSC-172613; NCI60_001395; SMR001565630; 9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3,9-dihydro-2H-purin-2-imine; 9H-Purin-2-amine, {9-(2-deoxy--D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1} H-imidazol-5-yl)thio\\]-; 9H-Purin-2-amine, 9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-; 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172614	.	.	.	.	408.4	C14H16N8O5S	208	586	0.8	28	3	11	4	"InChI=1S/C14H16N8O5S/c1-20-4-17-11(22(25)26)13(20)28-12-9-10(18-14(15)19-12)21(5-16-9)8-2-6(24)7(3-23)27-8/h4-8,23-24H,2-3H2,1H3,(H2,15,18,19)"	CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-]	VQKNUOXJMSCJLJ-UHFFFAOYSA-N
DG52037	Brusatol	299645	"Brusatol; MLS002702060; NSC172924; 14907-98-3; SMR001565631; methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate; cid_299645; CHEMBL1702665; BDBM93927; NSC-172924; NCI60_001399; FT-0697720; methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6.0^{2,17.0^{8,13]nonadec-9-ene-17-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172924	.	.	.	.	520.5	C26H32O11	166	1150	0.9	37	3	11	5	"InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3"	CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O	ZZZYHIMVKOHVIH-UHFFFAOYSA-N
DG52038	3-Desmethylcolchicine	299664	"3-Desmethylcolchicine; 3-Demethylcolchicine; 7336-33-6; 3-Demethyl Colchicine; (-)-3-demethylcolchicine; 3-O-Demethylcolchicine; UNII-C939KS8QEL; NSC172946; 3-DESMETHYLCOLCHICIN; C939KS8QEL; CHEMBL1081; N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Colchicine, O(3)-demethyl-; O3-Demethylcolchicine; Desmethylcolchicine; O3-Demethyl colchicine; Colchiciine, 3-desmethyl-; Colchicine, O(sup 3)-demethyl-; MLS002703022; COLCHICINE,3-DESMETHYL; NSC 50164; NSC 172946; COLCHICINE, 3-O-DEMETHYL-; Benzoheptalen-9(5H)-one, 7-acetamido-6,7-dihydro-, L-; Acetamide, N-(5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S); cid_494161; 3-O-DEMETHYL COLCHICINE; SCHEMBL12246871; DTXSID30223604; ZINC4212843; BDBM50014866; Colchicine, O(3)-demethyl- (8CI); HY-W021267; NSC-172946; AS-83238; NCI60_001400; Q27275337; N-(3-Hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide; Acetamide, N-(5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- (9CI); Acetamide,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-; N-(5,6,7,9-Tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide (S)- (9CI); N-[(7S,12aRa)-3-Hydroxy-1,2,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide (3-O-Demethylcolchicine)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	172946	.	.	.	.	385.4	C21H23NO6	94.1	724	0.7	28	2	6	4	"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1"	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O	JRRUSQGIRBEMRN-HNNXBMFYSA-N
DG52039	"Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester"	299925	"NSC173904; MLS002702061; CHEMBL128304; NSC-173904; NCI60_001408; SMR001565632; Benzyl 1-(((1-benzyl-3-chloro-2-oxopropyl)amino)carbonyl)-3-methylbutylcarbamate; benzyl N-[1-[(1-benzyl-3-chloro-2-oxo-propyl)carbamoyl]-3-methyl-butyl]carbamate; Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173904	.	.	.	.	444.9	C24H29ClN2O4	84.5	572	4.9	31	2	4	12	"InChI=1S/C24H29ClN2O4/c1-17(2)13-21(27-24(30)31-16-19-11-7-4-8-12-19)23(29)26-20(22(28)15-25)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,29)(H,27,30)"	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)OCC2=CC=CC=C2	UUJYJBKBCDBZBV-UHFFFAOYSA-N
DG52040	"Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-"	299926	"NSC173905; MLS002702062; CHEMBL1702155; NSC-173905; NCI60_001409; SMR001565633; 2-(Acetylamino)-N-(1-benzyl-3-chloro-2-oxopropyl)-4-methylpentanamide; 2-acetamido-N-(1-benzyl-3-chloro-2-oxo-propyl)-4-methyl-pentanamide; Pentanamide, {2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl} -; Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	173905	.	.	.	.	352.9	C18H25ClN2O3	75.3	434	3	24	2	3	9	"InChI=1S/C18H25ClN2O3/c1-12(2)9-16(20-13(3)22)18(24)21-15(17(23)11-19)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,20,22)(H,21,24)"	CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)C	BDCWQOMLWHXEAK-UHFFFAOYSA-N
DG52041	"2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester"	299982	"NSC174005; CHEMBL1987233; NSC-174005; NCI60_001414; 2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174005	.	.	.	.	323.73	C15H14ClNO5	80.8	468	1.5	22	0	5	7	"InChI=1S/C15H14ClNO5/c1-22-15(21)12(7-6-9(18)8-16)17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,12H,6-8H2,1H3"	COC(=O)C(CCC(=O)CCl)N1C(=O)C2=CC=CC=C2C1=O	OYKOYIWBGZHTMK-UHFFFAOYSA-N
DG52042	"1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide"	300190	"MLS003106820; 40028-35-1; NSC174518; CHEMBL1901535; DTXSID10306166; ZINC1711386; NSC-174518; NCI60_001425; SMR001821707; 1,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide; 1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-diphenyl-, 4,4-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174518	.	.	.	.	344.4	C16H16N4O3S	83	553	2.7	24	0	5	4	"InChI=1S/C16H16N4O3S/c1-19(13-9-5-3-6-10-13)15-17-24(21,22)18-16(23-15)20(2)14-11-7-4-8-12-14/h3-12H,1-2H3"	CN(C1=CC=CC=C1)C2=NS(=O)(=O)N=C(O2)N(C)C3=CC=CC=C3	GRVATEUMRUOCGH-UHFFFAOYSA-N
DG52043	Elesclomol	300471	"Elesclomol; 488832-69-5; STA-4783; Elesclomol (STA-4783); N'1,N'3-dimethyl-N'1,N'3-di(phenylcarbonothioyl)malonohydrazide; UNII-6UK191M53P; CHEBI:79369; Propanedioic acid, bis[2-methyl-2-(phenylthioxomethyl)hydrazide]; 6UK191M53P; 1,3-Bis[2-methyl-2-(phenylthioxomethyl)hydrazide]propanedioic acid; 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; 1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide; C19H20N4O2S2; Elesclomol [USAN:INN]; elesclomolum; N'1,N'3-dimethyl-N'1,N'3-bis(phenylcarbonothioyl)propanedihydrazide; Propanedioic acid, bis(2-methyl-2-(phenylthioxomethyl)hydrazide); STA4783; STA 4783; Elesclomol (USAN); NSC174939; MLS006011164; SCHEMBL313745; CHEMBL1972860; DTXSID2042642; SCHEMBL10131773; EX-A602; HMS3654M11; HMS3868I03; BCP00247; GSK-842879A; ZINC1716098; 1750AH; 2394AH; MFCD12911784; s1052; AKOS005145783; BCP9000639; CCG-264795; CS-0192; DB05719; GSK-842879; NSC-174939; SB17208; NCGC00183656-01; NCGC00183656-02; NCGC00183656-09; NCGC00183656-11; AS-56232; HY-12040; NCI60_001429; SMR004702933; FT-0700480; SW219775-1; EC-000.2312; A23836; D08909; H11160; 832E695; J-503879; N-malonyl-bis (N'-methyl-N'-thiobenzoyl hydrazide); Q5359460; BRD-K82135108-001-01-9; N,N'-Bis[methyl[phenyl(thiocarbonyl)]amino]malonamide; N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis(phenylcarbonothioyl)malonohydrazide; STA-4783; ; ; 1-N',3-N'-Bis(benzenecarbonothioyl)-1-N',3-N'-dimethylpropanedihydrazide; 1-N'-benzenecarbothioyl-3-(2-benzene carbothioyl-2-methylhydrazinyl)-N'-methyloxopropanehydrazidide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174939	.	.	.	.	400.5	C19H20N4O2S2	129	510	2.9	27	2	4	4	"InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)"	CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2	BKJIXTWSNXCKJH-UHFFFAOYSA-N
DG52044	"Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]"	300472	"NSC174940; SCHEMBL12153965; NSC-174940; N,N'-Bis[methyl[4-chlorophenyl(thiocarbonyl)]amino]malonamide; Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174940	.	.	.	.	469.4	C19H18Cl2N4O2S2	129	569	4.1	29	2	4	4	"InChI=1S/C19H18Cl2N4O2S2/c1-24(18(28)12-3-7-14(20)8-4-12)22-16(26)11-17(27)23-25(2)19(29)13-5-9-15(21)10-6-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)"	CN(C(=S)C1=CC=C(C=C1)Cl)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)Cl	LYWWILDQHVTJKY-UHFFFAOYSA-N
DG52045	"Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]"	300473	"NSC174941; SCHEMBL10074989; ZINC1716100; NSC-174941; N,N'-Bis[methyl[4-methoxyphenyl(thiocarbonyl)]amino]malonamide; Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	174941	.	.	.	.	460.6	C21H24N4O4S2	147	593	2.8	31	2	6	6	"InChI=1S/C21H24N4O4S2/c1-24(20(30)14-5-9-16(28-3)10-6-14)22-18(26)13-19(27)23-25(2)21(31)15-7-11-17(29-4)12-8-15/h5-12H,13H2,1-4H3,(H,22,26)(H,23,27)"	CN(C(=S)C1=CC=C(C=C1)OC)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)OC	VSOAZRNZKXYWDG-UHFFFAOYSA-N
DG52046	"4-(Dipropylamino)-3,5-dinitrobenzamide"	300481	"36317-95-0; 4-(dipropylamino)-3,5-dinitrobenzamide; NSC175074; CHEMBL310500; DTXSID40306290; AKOS032970873; NSC-175074; 3,5-Dinitro-4-(dipropylamino)benzamide; NCI60_001430"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175074	.	.	.	.	310.31	C13H18N4O5	138	390	3.3	22	1	6	6	"InChI=1S/C13H18N4O5/c1-3-5-15(6-4-2)12-10(16(19)20)7-9(13(14)18)8-11(12)17(21)22/h7-8H,3-6H2,1-2H3,(H2,14,18)"	CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]	XFDXNBOTTKUHKE-UHFFFAOYSA-N
DG52047	[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate	300500	NSC175203; CHEMBL1968545; ZINC31720402; NSC-175203	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175203	.	.	.	.	390.3	C19H20BrNO3	38.8	392	3.4	24	0	4	6	"InChI=1S/C19H20BrNO3/c20-18-7-5-15(6-8-18)19(22)24-14-17-4-2-1-3-16(17)13-21-9-11-23-12-10-21/h1-8H,9-14H2"	C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Br	LLPCLDKDKJVBFA-UHFFFAOYSA-N
DG52048	6-Aminotoyocamycin	300567	"MLS002702064; 57071-61-1; 6-Aminotoyocamycin; NSC175630; Toyocamycin, 6-amino-; CHEMBL16288; DTXSID90306326; ZINC01716251; NSC-175630; SMR001565635"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175630	.	.	.	.	306.28	C12H14N6O4	177	472	-1.4	22	5	9	2	"InChI=1S/C12H14N6O4/c13-1-4-6-9(14)16-3-17-11(6)18(10(4)15)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2,15H2,(H2,14,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N	GPEPWIICLLUDAS-UHFFFAOYSA-N
DG52049	"2-(2-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one"	300570	"MLS002702065; 13324-80-6; CHEMBL1580791; 2-(2-chlorophenyl)-2,3-dihydroquinazolin-4(1H)-one; F3098-8803; 2-(2-Chloro-phenyl)-2,3-dihydro-1H-quinazolin-4-one; SMR000014949; 2-(2-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one; NSC175633; Maybridge1_003456; Oprea1_103083; MLS000027113; HMS551F02; DTXSID50306327; DSHS 00663; HMS2366I05; BDBM50104299; MFCD00121790; STK917818; AKOS000538361; AKOS016313882; CCG-242476; MCULE-6218679491; NSC-175633; NCI60_001436; Z48978313; 1,2-Dihydro-2-(2-chlorophenyl)quinazoline-4(3H)-one; 2-(2-chlorophenyl)-1,2,3,4-tetrahydroquinazolin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175633	.	.	.	.	258.7	C14H11ClN2O	41.1	323	3.2	18	2	2	1	"InChI=1S/C14H11ClN2O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8,13,16H,(H,17,18)"	C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)Cl	YTAHHRUYKJSTCG-UHFFFAOYSA-N
DG52050	"2-(5-methylthiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one"	300571	"NSC175634; NCIMech_000245; Oprea1_248253; MLS000060389; CHEMBL1604106; SCHEMBL15648835; HMS2178O23; STL256878; AKOS005273248; MCULE-6204698671; NSC-175634; NCI60_001437; SMR000066006; SR-01000031175; SR-01000031175-1; Z48978200; 4(1H)-Quinazolinone,3-dihydro-2-(5-methyl-2-thienyl)-; 2-(5-methylthiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one; 2-(5-methylthiophen-2-yl)-1,2,3,4-tetrahydroquinazolin-4-one; 380209-42-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175634	.	.	.	.	244.31	C13H12N2OS	69.4	310	2.7	17	2	3	1	"InChI=1S/C13H12N2OS/c1-8-6-7-11(17-8)12-14-10-5-3-2-4-9(10)13(16)15-12/h2-7,12,14H,1H3,(H,15,16)"	CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2	SMZMLCNTHXBCBB-UHFFFAOYSA-N
DG52051	"2-(3-Benzyloxyphenyl)-1,2-dihydro-4(3H)-quinazolinone"	300572	"MLS002702066; CHEMBL1900376; NSC175635; Oprea1_379670; 2-(3-BENZYLOXYPHENYL)-1,2-DIHYDRO-4(3H)-QUINAZOLINONE; BDBM50104292; AKOS005273510; MCULE-8057383261; NSC-175635; 173555-78-7; NCI60_001438; SMR001565636; 2,3-Dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline; 2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one; 4(1H)-Quinazolinone,3-dihydro-2-[3-(phenylmethoxy)phenyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175635	.	.	.	.	330.4	C21H18N2O2	50.4	449	4	25	2	3	4	"InChI=1S/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)"	C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3	UFQXXOKTNXKMSO-UHFFFAOYSA-N
DG52052	"6-chloro-2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one"	300573	"NSC175636; 34934-08-2; MLS002702067; 6-Chloro-2,3-dihydro-2-(1-naphthalenyl)-4(1H)-quinazolinone; 6-chloro-2-naphthalen-1-yl-2,3-dihydro-1H-quinazolin-4-one; NCIMech_000474; CHEMBL1717747; DTXSID10306328; EX-A5267; NSC-175636; NCI60_001439; SMR001565637"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175636	.	.	.	.	308.8	C18H13ClN2O	41.1	429	4.5	22	2	2	1	"InChI=1S/C18H13ClN2O/c19-12-8-9-16-15(10-12)18(22)21-17(20-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,20H,(H,21,22)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3	ZGIFEPWYKKDPTK-UHFFFAOYSA-N
DG52053	"2-[4-(diethylamino)phenyl]-2,3-dihydroquinazolin-4(1H)-one"	300574	"MLS002702068; 2-[4-(diethylamino)phenyl]-2,3-dihydroquinazolin-4(1H)-one; NSC175637; Oprea1_042005; CHEMBL1734478; STK677116; AKOS005273300; MCULE-5885359382; NSC-175637; NCI60_001440; SMR001387037; SR-01000452119; SR-01000452119-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175637	.	.	.	.	295.4	C18H21N3O	44.4	375	3.4	22	2	3	4	"InChI=1S/C18H21N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12,17,19H,3-4H2,1-2H3,(H,20,22)"	CCN(CC)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2	HNXVXXIPESJDSF-UHFFFAOYSA-N
DG52054	"2-(2-Methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one"	300576	"MLS002702069; NSC175639; Oprea1_018551; CHEMBL1708022; AKOS001346503; AKOS016872276; MCULE-1717717987; NSC-175639; NCI60_001441; SMR001565638; Z48978380; 4(1H)-Naphthalenone,3-dihydro-2-(2-methoxy-1-naphthalenyl)-; 4(1H)-Quinazolinone,3-dihydro-2-(2-methoxy-1-naphthalenyl)-; 2-(2-methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one; 173555-77-6"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	175639	.	.	.	.	304.3	C19H16N2O2	50.4	441	3.8	23	2	3	2	"InChI=1S/C19H16N2O2/c1-23-16-11-10-12-6-2-3-7-13(12)17(16)18-20-15-9-5-4-8-14(15)19(22)21-18/h2-11,18,20H,1H3,(H,21,22)"	COC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C(=O)N3	YVJMAMMDKUHGQD-UHFFFAOYSA-N
DG52055	9-Chloroellipticine	300858	"9-Chloroellipticine; NSC176326; Ellipticine, 9-chloro-; Neuro_000101; CHEMBL71129; ZINC13281556; NSC-176326; NCI60_001452; 6H-Pyrido[4, 9-chloro-5,11-dimethyl-; 5,11-Dimethyl-9-chloro-6H-pyrido[4,3-b]carbazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176326	.	.	.	.	280.7	C17H13ClN2	28.7	374	5.4	20	1	1	0	"InChI=1S/C17H13ClN2/c1-9-14-8-19-6-5-12(14)10(2)17-16(9)13-7-11(18)3-4-15(13)20-17/h3-8,20H,1-2H3"	CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C	FNYVRIAEQQSFQU-UHFFFAOYSA-N
DG52056	4-Bromo-2-[(cyclohexylimino)methyl]phenol	300886	"NSC176368; 78987-54-9; 4-bromo-2-[(cyclohexylimino)methyl]phenol; 4-bromo-2-(N-cyclohexylcarboximidoyl)phenol; CHEMBL1981576; DTXSID00419870; 4-bromo-6-[(cyclohexylamino)methylidene]cyclohexa-2,4-dien-1-one; STL026631; ZINC17004763; AKOS003409794; ZINC100236874; MCULE-5497660074; NSC-176368; NCI60_001456; DS-005294; 4-bromo-2-[(E)-(cyclohexylimino)methyl]phenol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176368	.	.	.	.	282.18	C13H16BrNO	32.6	238	3.6	16	1	2	2	"InChI=1S/C13H16BrNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h6-9,12,16H,1-5H2"	C1CCC(CC1)N=CC2=C(C=CC(=C2)Br)O	PFZHELSOOJVETI-UHFFFAOYSA-N
DG52057	"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one"	300906	"60246-72-2; 3-(2-aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one; NSC176389; DTXSID30306441; MCULE-1739989134; NSC-176389; DS-008661; 1-PROPANONE,3-[(2-AMINOPHENYL)THIO]-3-(2,6-DICHLOROPHENYL)-1-PHENYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176389	.	.	.	.	402.3	C21H17Cl2NOS	68.4	447	5.9	26	1	3	6	"InChI=1S/C21H17Cl2NOS/c22-15-9-6-10-16(23)21(15)20(26-19-12-5-4-11-17(19)24)13-18(25)14-7-2-1-3-8-14/h1-12,20H,13,24H2"	C1=CC=C(C=C1)C(=O)CC(C2=C(C=CC=C2Cl)Cl)SC3=CC=CC=C3N	OENCHEBBVZSWKN-UHFFFAOYSA-N
DG52058	"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-"	300936	"NSC176632; ZINC195774085; NSC-176632; NCI60_001464; Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-; 35777-92-5"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	176632	.	.	.	.	326.1	C8H17NOS2Sn	69.9	187	.	13	0	3	2	"InChI=1S/C5H9NOS2.3CH3.Sn/c8-5(9)6-1-3-7-4-2-6;;;;/h1-4H2,(H,8,9);3*1H3;/q;;;;+1/p-1"	C[Sn](C)(C)SC(=S)N1CCOCC1	BPWWYWORPYMYIC-UHFFFAOYSA-M
DG52059	Versimide	301117	"VERSIMIDE; NSC177377; CHEMBL1983472; KHFBUINXBGUEQW-UHFFFAOYSA-; methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)prop-2-enoate; NSC-177377; NCI60_001480; methyl alpha-(methyl-succinimido)-acrylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177377	.	.	.	.	197.19	C9H11NO4	63.7	321	0.3	14	0	4	3	"InChI=1S/C9H11NO4/c1-5-4-7(11)10(8(5)12)6(2)9(13)14-3/h5H,2,4H2,1,3H3"	CC1CC(=O)N(C1=O)C(=C)C(=O)OC	KHFBUINXBGUEQW-UHFFFAOYSA-N
DG52060	"2-Bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone"	301256	"NSC177845; CHEMBL1993520; ZINC5190740; NSC-177845; 2-bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone; {7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane,} 3, 11-bis(bromoacetyl)-; 3,11-Bis(bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadecane; 7,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3,11-bis(bromoacetyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	177845	.	.	.	.	504.3	C14H20Br2N2O2S3	117	437	2.8	23	0	5	2	InChI=1S/C14H20Br2N2O2S3/c15-9-11(19)17-5-1-13(2-6-17)21-14(23-22-13)3-7-18(8-4-14)12(20)10-16/h1-10H2	C1CN(CCC12SC3(CCN(CC3)C(=O)CBr)SS2)C(=O)CBr	CKAKUWCYKQVESI-UHFFFAOYSA-N
DG52061	"ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate"	301367	"NSC178002; CHEMBL1996824; ZINC17005639; NSC-178002; NCI60_001496; Pyrrolo[2, 2,4,5,6-tetrahydro-6,8-dimethyl-, ethyl ester; Ethyl 6,8-dimethyl-2,4,5,6-tetrahydropyrrolo[2,3-g]indazole-7-carboxylate; ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate; {Pyrrolo[2,3-g]indazole-7-carboxylic} acid, 2,4,5,6-tetrahydro-6, 8-dimethyl-, ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178002	.	.	.	.	259.3	C14H17N3O2	59.9	363	1.9	19	1	3	3	"InChI=1S/C14H17N3O2/c1-4-19-14(18)13-8(2)11-10(17(13)3)6-5-9-7-15-16-12(9)11/h7H,4-6H2,1-3H3,(H,15,16)"	CCOC(=O)C1=C(C2=C(N1C)CCC3=C2NN=C3)C	WOCBKWVOZPLPPG-UHFFFAOYSA-N
DG52062	"5-Chloro-8-hydroxynaphthalene-1,4-dione"	301371	"5-chloro-8-hydroxynaphthalene-1,4-dione; 52431-59-1; NSC178010; NAPHTHALENEDIONE, 5-CHLORO-8-HYDROXY-; 1, 5-chloro-8-hydroxy-; CHEMBL362506; SCHEMBL17265619; DTXSID70306642; ZINC1725263; NSC-178010; 5-Chloro-8-hydroxy-[1,4]naphthoquinone; NCI60_001497; 5-chloro-8-hydroxy-naphthalene-1,4-dione; DS-001514"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178010	.	.	.	.	208.6	C10H5ClO3	54.4	311	2.3	14	1	3	0	"InChI=1S/C10H5ClO3/c11-5-1-2-7(13)10-8(14)4-3-6(12)9(5)10/h1-4,13H"	C1=CC(=C2C(=O)C=CC(=O)C2=C1O)Cl	GJLFRAOUTIXEIN-UHFFFAOYSA-N
DG52063	L-Chlorozotocin	301389	"L-Chlorozotocin; DCNU; NSC 178248; CHEMBL363082; CHLZ; NSC291322; NCI-178248; 1-(2-chloroethyl)-1-nitroso-3-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)urea; 54749-90-5; NSC178248; D-Glucopyranose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-; D-Glucopyranose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; 1-(2-Chloroethyl)-3-(D-glucopyranos-2-yl)-1-nitrosourea; Chlorozotocine; 2-(3-(2-Chloroethyl)-3-nitrosoureido)-2-deoxy-D-glucosopyranose; 2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-D-glucose; D-Glucose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-; Glucopyranose, 2-deoxy-2-(3-(2-chloroethyl)-3-nitrosoureido)-, D-; D-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; BDBM50154463; L-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; NSC-291322; NCI60_001500; N-(2-chloroethyl)-N''''-(1-formyl-2,3,4,5-tetrahydroxypentyl)-N-nitrosourea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	178248	.	.	.	.	313.69	C9H16ClN3O7	160	333	-2.6	20	5	8	8	"InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)"	C(CCl)N(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O	MKQWTWSXVILIKJ-UHFFFAOYSA-N
DG52064	"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate"	301457	"54785-18-1; NSC179201; (3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) acetate; DTXSID40306674; NSC-179201"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179201	.	.	.	.	461.4	C25H19NO8	118	815	3.7	34	0	9	8	"InChI=1S/C25H19NO8/c1-12(27)31-21-7-16-5-6-18-19-9-23(33-14(3)29)22(32-13(2)28)8-17(19)11-26-25(18)20(16)10-24(21)34-15(4)30/h5-11H,1-4H3"	CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)OC(=O)C	PSZGYLBXZNOKSU-UHFFFAOYSA-N
DG52065	Withanolide E	301751	"WITHANOLIDE E; 38254-15-8; NSC179834; SCHEMBL2231888; CHEMBL1097107; DTXSID10959191; BDBM50437341; NSC-179834; 14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione; Ergosta-2, 5,6-epoxy-14,17,20,22-tetrahydroxy-1-oxo-, .gamma.-lactone; Ergosta-2, 5,6-epoxy-14,17,20,22-tetrahydroxy-1-oxo-, .gamma.-lactone, (5.beta.,6.beta.,17.alpha.,22R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179834	.	.	.	.	486.6	C28H38O7	117	1090	1.7	35	3	7	2	"InChI=1S/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1"	CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@@]2(CC[C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6)C)O5)C)O)O)O)C	RUVPNJSJTWTANE-LFCBYZEKSA-N
DG52066	"[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium"	301772	"7171-68-8; 1H-Pyrazole-1-ethanol,4'-azoxybis(3,5-dimethyl-; 1H-Pyrazole-1-ethanol,4'-azoxybis[3,5-dimethyl-; NSC179945; DTXSID40306811; ZINC104154549; NSC-179945; [1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	179945	.	.	.	.	322.36	C14H22N6O3	117	423	-0.1	23	2	6	6	"InChI=1S/C14H22N6O3/c1-9-13(11(3)18(15-9)5-7-21)17-20(23)14-10(2)16-19(6-8-22)12(14)4/h21-22H,5-8H2,1-4H3"	CC1=C(C(=NN1CCO)C)N=[N+](C2=C(N(N=C2C)CCO)C)[O-]	PJVSLEAQHXBIJR-UHFFFAOYSA-N
DG52067	Trigilletine	301935	"Trigilletine; NSC181486; MLS000756410; SMR000528718; NSC626656; NSC-181486; CHEMBL1488591; HMS2270J11; NCI60_001516; 6,12'-Dimethoxy-2-methyl-6',7-epoxyoxyacanthan; SR-01000778728; SR-01000778728-2"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	181486	.	.	.	.	562.7	C35H34N2O5	61.4	929	5.9	42	1	7	2	"InChI=1S/C35H34N2O5/c1-37-13-11-23-18-32(39-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38-2)14-26-25-19-31(42-35)30(41-34)17-22(25)10-12-36-26/h4-9,16-19,26-27,36H,10-15H2,1-3H3"	CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC	DJAWTLHBPPQMPV-UHFFFAOYSA-N
DG52068	"9-(4,5-Dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione"	302071	"NSC184398; Aquaymycin; CHEMBL1996599; DTXSID40948932; 9-(Tetrahydro-4',5'-dihydroxy-6'-methyl-2'H-pyran-2'-yl)-3,4,4a,12b-tetrahydro-3,4a,8,12b-tetrahydroxy-3-methyl-benz(a)anthracene-1,7,12(2H)-trione; BS-1171; NSC-184398; 9-(4,5-dihydroxy-6-methyloxan-2-yl)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; NCI60_001534; 1,5-Anhydro-2,6-dideoxy-1-(3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl)hexitol; 1,5-Anhydro-2,6-didesoxy-1-(3,4a,8,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octah"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	184398	.	.	.	.	486.5	C25H26O10	182	1050	-1.2	35	6	10	1	"InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3"	CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O	KCOULPRVOZDQEL-UHFFFAOYSA-N
DG52069	"6-Chlorotetrazolo[1,5-b]pyridazine"	302231	"6-Chlorotetrazolo[1,5-b]pyridazine; 21413-15-0; 6-Chloro-[1,2,3,4]tetrazolo[1,5-b]pyridazine; Tetrazolo[1,5-b]pyridazine, 6-chloro-; 6-Chlorotetrazolo[4,5-b]pyridazine; MFCD00462761; Tetrazolo[1,5-b]pyridazine,6-chloro-; NSC185169; 6-Chloro-tetrazolo[1,5-b]pyridazine; Tetrazolo[1, 6-chloro-; SCHEMBL11783762; DTXSID00307001; ALBB-032486; WAA41315; ZINC1435441; 6-Chlorotetrazolo[1.5--b]pyridazin; BBL028654; STK042017; AKOS001275913; MCULE-5859342356; NSC-185169; 6-Chlorotetraazolo[1,5-b]pyridazine #; Tetrazolo[1,5-b]pyridazine, 6-cloro-; DA-36201; VS-08890; EU-0084426; FT-0728942; V4339; EN300-24776; A903011; J-518667; F1967-1754; W41"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	185169	.	.	.	.	155.54	C4H2ClN5	56	131	0.8	10	0	4	0	InChI=1S/C4H2ClN5/c5-3-1-2-4-6-8-9-10(4)7-3/h1-2H	C1=CC(=NN2C1=NN=N2)Cl	RRBQGBYFXZPPAH-UHFFFAOYSA-N
DG52070	NSC221659	302371	"(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one; 66568-82-9; NSC221659; DTXSID00985166; NSC186308; NSC-186308; NSC-221659; Benzo[a]heptalen-9(5H)-one,7-dihydro-7-(.beta.-D-mannopyranosylamino)-1,2,3-trimethoxy-10-(methylthio)-, (S)-; N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexopyranosylamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221659	.	.	.	.	535.6	C26H33NO9S	172	924	-0.2	37	5	11	7	"InChI=1S/C26H33NO9S/c1-33-17-9-12-5-7-15(27-26-23(32)22(31)21(30)18(11-28)36-26)14-10-16(29)19(37-4)8-6-13(14)20(12)25(35-3)24(17)34-2/h6,8-10,15,18,21-23,26-28,30-32H,5,7,11H2,1-4H3/t15-,18 ,21 ,22 ,23 ,26 /m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC	ACIAPWKOTHFOAA-XQMHFWANSA-N
DG52071	(5-Nitro-2-phenylphenyl)arsonic acid	302501	MLS000756422; SMR000528721; NSC187675; (5-nitro-2-phenylphenyl)arsonic acid; cid_302501; CHEMBL1573007; ANTINEOPLASTIC-187675; BDBM52007; HMS2886D08; (5-nitro-2-phenyl-phenyl)arsonic acid; NSC-187675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	187675	.	.	.	.	323.13	C12H10AsNO5	103	371	.	19	2	5	2	"InChI=1S/C12H10AsNO5/c15-13(16,17)12-8-10(14(18)19)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)"	C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[As](=O)(O)O	CCGNSPSMYWVAMG-UHFFFAOYSA-N
DG52072	SMA-491 (free base of NSC D742838)	302576	"NSC188491; NSC-188491; CHEMBL1974671; SCHEMBL12284814; NCI60_001569; SMA-491 (free base of NSC D742838); {7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide,} 4-amino-6-hydrazino-7--D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	188491	.	.	.	.	339.31	C12H17N7O5	208	485	-2.3	24	7	10	4	"InChI=1S/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)"	C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N	XCAQHWQRKUEFKS-UHFFFAOYSA-N
DG52073	"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate"	303610	"MLS003107001; NSC192737; SMR001821882; cid_303610; CHEMBL1883309; BDBM93523; (acetyl-dimethyl-oxo-[ ]yl) acetate; NSC-192737; 4-Acetyl-3a,12a-dimethyl-2-oxo-1,3a,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-tetradecahydro-2H-cyclopenta[b]naphtho[2,1-d]oxepin-10-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	192737	.	.	.	.	388.5	C23H32O5	69.7	739	3.5	28	0	5	3	"InChI=1S/C23H32O5/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)20(17)12-21(26)28-23(18,19)4/h7,15-17,19-20H,5-6,8-12H2,1-4H3"	CC(=O)C1=CCC2C1(OC(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C	RZDJJWQUCPCDTP-UHFFFAOYSA-N
DG52074	Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)	303617	51801-27-5; NSC192744; CHEMBL2004283; DTXSID60307567; NSC-192744; Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	192744	.	.	.	.	570.7	C26H50O13	235	522	.	39	9	13	20	"InChI=1S/C14H28O2.C12H22O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2-13H2,1H3,(H,15,16);1,4-12,14-21H,2-3H2"	CCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O	YQWORSHOGLRIKL-UHFFFAOYSA-N
DG52075	2-(methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride	303792	NSC193457; NCIStruc1_000709; NCIStruc2_001790; ZINC8034772; ZINC13099144; NCI60_001616; 2-(methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride; N-[1-Chloro-2-(methylamino)ethylidene]-4-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	193457	.	.	.	.	260.74	C10H13ClN2O2S	66.9	340	2.1	16	1	4	4	"InChI=1S/C10H13ClN2O2S/c1-8-3-5-9(6-4-8)16(14,15)13-10(11)7-12-2/h3-6,12H,7H2,1-2H3"	CC1=CC=C(C=C1)S(=O)(=O)N=C(CNC)Cl	KPTLQKCMVDTPPR-UHFFFAOYSA-N
DG52076	1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol	304284	NSC195922; CHEMBL1987777; NSC-195922	.	.	Investigative Drug(s)	Investigative	Small molecular drug	195922	.	.	.	.	306.4	C20H22N2O	38	363	3.5	23	1	2	5	"InChI=1S/C20H22N2O/c1-3-19-21-14-18(20(2,23)17-12-8-5-9-13-17)22(19)15-16-10-6-4-7-11-16/h4-14,23H,3,15H2,1-2H3"	CCC1=NC=C(N1CC2=CC=CC=C2)C(C)(C3=CC=CC=C3)O	MGJWEHDRICUGFI-UHFFFAOYSA-N
DG52077	"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	304499	"18064-04-5; dimethyl 1-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate; DIMETHYL 1-METHYL-7-OXABICYCLO(2.2.1)HEPTA-2,5-DIENE-2,3-DICARBOXYLATE; NSC196593; CHEMBL1997050; SCHEMBL13998257; DTXSID80307923; AKOS024406066; dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate; MCULE-2673062915; NSC-196593; 1-Methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	196593	.	.	.	.	224.21	C11H12O5	61.8	420	0.3	16	0	5	4	"InChI=1S/C11H12O5/c1-11-5-4-6(16-11)7(9(12)14-2)8(11)10(13)15-3/h4-6H,1-3H3"	CC12C=CC(O1)C(=C2C(=O)OC)C(=O)OC	YMLYGZRGLAHWMQ-UHFFFAOYSA-N
DG52078	"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-stearoyl-"	304673	"55726-44-8; NSC201290; CHEMBL2001204; SCHEMBL20809913; DTXSID70971096; NSC-201290; NCI60_001669; Octadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-; 4-(Octadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201290	.	.	.	.	509.7	C27H47N3O6	132	714	7.1	36	4	6	19	"InChI=1S/C27H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(35)29-22)26-25(34)24(33)21(20-31)36-26/h18-19,21,24-26,31,33-34H,2-17,20H2,1H3,(H,28,29,32,35)"	CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	ATYCGJJMRABBKG-UHFFFAOYSA-N
DG52079	Ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]amino]benzoate	304896	NSC201618; ZINC1735459; NSC-201618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201618	.	.	.	.	470.3	C21H16BrN3O3S	133	638	6.2	29	2	7	7	"InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3"	CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N	HKWFRRXKDSRFBN-UHFFFAOYSA-N
DG52080	Ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)thiophen-2-yl]amino]benzoate	304907	MLS000756445; NSC201631; CHEMBL1600403; HMS2886K03; ZINC1735469; NSC-201631; SMR000528737	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201631	.	.	.	.	436.4	C21H16N4O5S	179	727	5.3	31	2	9	7	"InChI=1S/C21H16N4O5S/c1-2-30-21(27)12-6-8-14(9-7-12)24-20-16(11-22)17(23)19(31-20)18(26)13-4-3-5-15(10-13)25(28)29/h3-10,24H,2,23H2,1H3"	CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N	BBMXMYSEICDMIK-UHFFFAOYSA-N
DG52081	"(1,3-Dioxobenzo[de]isoquinolin-2-yl) acetate"	304928	"(1,3-dioxobenzo[de]isoquinolin-2-yl) acetate; NSC201656; 100873-54-9; 1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl acetate; 2-(Acetyloxy)-1H-benzo[de]isoquinoline-1,3(2H)-dione; Maybridge1_005792; Oprea1_635519; DivK1c_002080; SCHEMBL2959934; CHEMBL1998725; HMS557P06; ZINC70522; STK236135; AKOS003614386; CCG-252260; MCULE-9106551403; NSC-201656; CDS1_001040; NCI60_001681; F1467-0861; ACETIC ACID 1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201656	.	.	.	.	255.22	C14H9NO4	63.7	403	2.2	19	0	4	2	"InChI=1S/C14H9NO4/c1-8(16)19-15-13(17)10-6-2-4-9-5-3-7-11(12(9)10)14(15)18/h2-7H,1H3"	CC(=O)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O	AATRCBPAUJCECJ-UHFFFAOYSA-N
DG52082	4-Bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol	305092	"4-bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol; 75854-21-6; NSC201835; 4-bromo-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol; CHEMBL1976765; SCHEMBL11413664; DTXSID10420775; MFCD00115299; ZINC17023273; ZINC100315290; ZINC257351927; NSC-201835; NCI60_001685; DS-012221; PHENOL,4-BROMO-2-[[[3-(TRIFLUOROMETHYL)PHENYL]IMINO]METHYL]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201835	.	.	.	.	344.13	C14H9BrF3NO	32.6	348	4.4	20	1	5	2	"InChI=1S/C14H9BrF3NO/c15-11-4-5-13(20)9(6-11)8-19-12-3-1-2-10(7-12)14(16,17)18/h1-8,20H"	C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)C(F)(F)F	HZEUNSTWVBILMM-UHFFFAOYSA-N
DG52083	"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide"	305114	"NSC201863; MLS000756451; NSC-201863; CHEMBL1478493; SCHEMBL10013613; DTXSID30308066; HMS2886J13; 906509-55-5; NCI60_001686; SMR000528739; N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide; N-(1-[1,1'-biphenyl]-4-ylethyl)-3,4-dichlorobenzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201863	.	.	.	.	370.3	C21H17Cl2NO	29.1	430	6	25	1	1	4	"InChI=1S/C21H17Cl2NO/c1-14(24-21(25)18-11-12-19(22)20(23)13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25)"	CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl	FBKXMUJLHIWBRY-UHFFFAOYSA-N
DG52084	"9(10H)-anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	305123	"NSC201873; NSC-201873; NCIStruc1_001957; NCIStruc2_001384; CHEMBL1608097; ZINC3954495; CCG-36921; NCGC00014555; NCI201873; NCGC00014555-02; NCGC00097659-01; NCI60_001688; 9(10H)-anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	201873	.	.	.	.	374.3	C20H14N4O4	116	605	5.7	28	1	6	2	"InChI=1S/C20H14N4O4/c25-23(26)15-9-10-18(19(12-15)24(27)28)21-22-20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-10,12,21H,11H2"	C1C2=CC=CC=C2C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41	IURNRMYJBRECDR-UHFFFAOYSA-N
DG52085	"2-Propynoic acid,4-diyl ester"	305546	"NSC202554; 2-Propynoic acid,4-diyl ester; CHEMBL1993061; ZINC5328497; NSC-202554; NCI60_001701; Dipropargylic acid 2-butyne-1,4-diyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	202554	.	.	.	.	190.15	C10H6O4	52.6	351	1	14	0	4	4	"InChI=1S/C10H6O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h1-2H,7-8H2"	C#CC(=O)OCC#CCOC(=O)C#C	NYTVPHFBPXCEFK-UHFFFAOYSA-N
DG52086	1-[5-(5-Acetylthiophen-2-yl)thiophen-2-yl]ethanone	305890	"18494-73-0; 5,5'-Diacetyl-2,2'-bithienyl; 5,5'-Diacetyl-2,2'-bithiophene; 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethanone; 1-[5-(5-Acetyl-2-thienyl)-2-thienyl]ethanone; 1,1'-([2,2'-Bithiophene]-5,5'-diyl)diethanone; 5,5/'-DIACETYL-2,2/'-BITHIENYL; 1,1'-(2,2'-BITHIOPHENE-5,5'-DIYL)DIETHANONE; NSC203017; 2,2'-Bi(5-acetylthiophene); SCHEMBL1356959; CHEMBL2002489; DTXSID30308304; ZINC1737434; MFCD00447520; 5,5-DIACETYL-2,2-BITHIENYL; AKOS001027585; MCULE-2360227988; NSC-203017; NCI60_001707; FT-0619765; 1-(5'-acetyl-2,2'-bithiophene-5-yl)ethanone; A903666; W-200183; 1-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]ethan-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	203017	.	.	.	.	250.3	C12H10O2S2	90.6	273	3	16	0	4	3	"InChI=1S/C12H10O2S2/c1-7(13)9-3-5-11(15-9)12-6-4-10(16-12)8(2)14/h3-6H,1-2H3"	CC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C	DZBDNNDXPKNUGF-UHFFFAOYSA-N
DG52087	"N,N'-Bis(3-nitrophenyl)isophthalamide"	306548	"MLS000756466; SMR000528745; N1,N3-bis(3-nitrophenyl)benzene-1,3-dicarboxamide; N,3-dicarboxamide; NSC204232; N,N'-Bis(3-nitrophenyl)isophthalamide; Oprea1_875604; CBDivE_001583; 1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide; cid_306548; CHEMBL1405763; SCHEMBL18300094; BDBM55887; ZINC1738764; STK260397; AKOS003266041; MCULE-4742958038; NSC-204232; N,N''-bis(3-nitrophenyl)isophthalamide; N~1~,N~3~-bis(3-nitrophenyl)isophthalamide; N,N'-bis(3-nitrophenyl)benzene-1,3-dicarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204232	.	.	.	.	406.3	C20H14N4O6	150	607	3.2	30	2	6	4	"InChI=1S/C20H14N4O6/c25-19(21-15-6-2-8-17(11-15)23(27)28)13-4-1-5-14(10-13)20(26)22-16-7-3-9-18(12-16)24(29)30/h1-12H,(H,21,25)(H,22,26)"	C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]	XNLJYGLAIAFHNG-UHFFFAOYSA-N
DG52088	1-(2-Fluorophenyl)-3-(4-sulfamoylphenyl)urea	306968	NSC204667; 1-(2-fluorophenyl)-3-(4-sulfamoylphenyl)urea; 76393-36-7; 4-(((2-fluoroanilino)carbonyl)amino)benzenesulfonamide; NSC-204667; NCIStruc1_001991; NCIStruc2_001358; SCHEMBL672763; CHEMBL1334282; DTXSID10308509; ZINC1739735; CCG-36865; NCGC00014565; NCI204667; NCGC00014565-02; NCGC00097669-01; NCI60_001716	.	.	Investigative Drug(s)	Investigative	Small molecular drug	204667	.	.	.	.	309.32	C13H12FN3O3S	110	458	0.9	21	3	5	3	"InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)"	C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F	OWWHFDSAOSYTOX-UHFFFAOYSA-N
DG52089	"5-Iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione"	307241	"5-iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione; 77547-09-2; NSC205098; DTXSID80308591; NSC-205098; Spiro(furan-2(5H),5-dione, 3,4-dihydro-5'-iodo-1'-methyl-4-methylene-; Spiro[furan-2(5H),5(1'H)-dione, 3,4-dihydro-5'-iodo-1'-methyl-4-methylene-; 5-Iodo-1-methyl-4'-methylene-3',4'-dihydrospiro[1H-indole-3(2H),2'(5'H)-furan]-2,5'-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205098	.	.	.	.	355.13	C13H10INO3	46.6	450	2.1	18	0	3	0	"InChI=1S/C13H10INO3/c1-7-6-13(18-11(7)16)9-5-8(14)3-4-10(9)15(2)12(13)17/h3-5H,1,6H2,2H3"	CN1C2=C(C=C(C=C2)I)C3(C1=O)CC(=C)C(=O)O3	VLWABQVGEIURBF-UHFFFAOYSA-N
DG52090	"5'-Chloro-2,3-dibromo-2'-methoxysuccinanilic acid"	307450	"NSC205555; SCHEMBL7825225; AKOS024431862; MCULE-1771659774; NSC-205555; 5'-chloro-2,3-dibromo-2'-methoxysuccinanilic acid; Butanoic acid,3-dibromo-4-[(5-chloro-2-methoxyphenyl)amino]-4-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205555	.	.	.	.	415.46	C11H10Br2ClNO4	75.6	345	2.9	19	2	4	5	"InChI=1S/C11H10Br2ClNO4/c1-19-7-3-2-5(14)4-6(7)15-10(16)8(12)9(13)11(17)18/h2-4,8-9H,1H3,(H,15,16)(H,17,18)"	COC1=C(C=C(C=C1)Cl)NC(=O)C(C(C(=O)O)Br)Br	NJKZXOAMAFIPOQ-UHFFFAOYSA-N
DG52091	"Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate"	307683	"69123-45-1; ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate; NSC205795; CHEMBL3230515; DTXSID80308632; ZINC1741768; NSC-205795"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205795	.	.	.	.	291.33	C13H13N3O3S	109	346	2.1	20	2	5	5	"InChI=1S/C13H13N3O3S/c1-2-19-11(17)9-3-5-10(6-4-9)15-12(18)16-13-14-7-8-20-13/h3-8H,2H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=CS2	OMEMETVMVIWGLI-UHFFFAOYSA-N
DG52092	"N-(4-chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	307746	"NSC205862; NSC-205862; NCIStruc1_000791; NCIStruc2_001624; CHEMBL1408954; ZINC1741847; CCG-36825; NCGC00014572; NCI205862; NCGC00014572-02; NCGC00097676-01; NCI60_001733; N-(4-chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	205862	.	.	.	.	288.77	C16H17ClN2O	41.1	316	3.4	20	2	1	3	"InChI=1S/C16H17ClN2O/c1-11-3-4-12(2)15(9-11)19-16(20)18-10-13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3,(H2,18,19,20)"	CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=C(C=C2)Cl	VNBHOFZERQXOFW-UHFFFAOYSA-N
DG52093	2-(4-Chlorophenoxy)-1-methyl-imidazole	307940	NSC206381; CHEMBL2000373; ZINC11535808; NSC-206381; 2-(4-chlorophenoxy)-1-methyl-imidazole; 2-(4-Chlorophenoxy)-1-methyl-1H-imidazole; 4-Chlorophenyl 1-methyl-1H-imidazol-2-yl ether	.	.	Investigative Drug(s)	Investigative	Small molecular drug	206381	.	.	.	.	208.64	C10H9ClN2O	27	183	2.5	14	0	2	2	"InChI=1S/C10H9ClN2O/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,1H3"	CN1C=CN=C1OC2=CC=C(C=C2)Cl	GXJDXJRXOIVZJN-UHFFFAOYSA-N
DG52094	Lymphosarcin	308111	"LYMPHOSARCIN; 52128-43-5; UNII-J5KX9DC6DM; J5KX9DC6DM; 5-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine; CHEMBL172345; SCHEMBL11141619; DTXSID10208055; NSC208652; NSC 208652; NSC-208652; 59318-71-7; NCI60_001742; PD 075197; PD-075197; 5-CHLORO-6-[[(3,4-QUINOZOLINEDIAMINE; 2, 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208652	.	.	.	.	368.6	C15H12Cl3N5	89.8	401	4.2	23	3	5	3	"InChI=1S/C15H12Cl3N5/c16-9-3-2-8(5-10(9)17)21-6-7-1-4-11-12(13(7)18)14(19)23-15(20)22-11/h1-5,21H,6H2,(H4,19,20,22,23)"	C1=CC(=C(C=C1NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Cl)Cl	KBKJXVMKCWBZLB-UHFFFAOYSA-N
DG52095	"Methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate"	308120	"methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate; 501653-39-0; Methyl 3-methoxy-a,g-dioxo-benzenebutanoate; NSC208706; CHEMBL2007344; SCHEMBL20239513; BVA65339; MFCD04967394; STK312947; AKOS000267056; ZINC100767131; AS-6548; MCULE-1127049764; NSC-208706; NCI60_001743; CS-0230554; F2161-0042; 4-(3-Methoxy-phenyl)-2,4-dioxo-butyric acid methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208706	.	.	.	.	236.22	C12H12O5	69.7	310	1.5	17	0	5	6	"InChI=1S/C12H12O5/c1-16-9-5-3-4-8(6-9)10(13)7-11(14)12(15)17-2/h3-6H,7H2,1-2H3"	COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC	WFBPPBRBWLJXTK-UHFFFAOYSA-N
DG52096	Aclucinomycin A	308141	"Aclucinomycin A; NSC208734; NSC 208734; 79617-46-2; methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate; Antibiotic MA144-A1; 57576-44-0; CHEMBL45414; DivK1c_000678; SCHEMBL1649619; HMS502B20; KBio1_000678; NINDS_000678; NSC240619; NSC-240619; IDI1_000678; QTL1_000003; NCI60_001746; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, radical ion(1-), (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester,(1R-(1.alpha.,2.beta.,4.beta.))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208734	.	.	.	.	811.9	C42H53NO15	217	1530	3.8	58	4	16	10	"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18 ,19 ,20 ,24 ,27 ,28-,29 ,30 ,31 ,35-,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O	USZYSDMBJDPRIF-XCKHQVGJSA-N
DG52097	"ethyl N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)glycinate"	308223	"CHEMBL1980395; CC 9106; NCIMech_000207; ZINC5181134; BDBM50553925; CCG-35194; STL172887; AKOS003795792; MCULE-3683922063; NSC-208914; NCI60_001753; ethyl N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)glycinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208914	.	.	.	.	280.36	C15H24N2O3	67.4	367	2.3	20	2	3	5	"InChI=1S/C15H24N2O3/c1-2-20-13(18)9-16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,2-9H2,1H3,(H2,16,17,19)"	CCOC(=O)CNC(=O)NC12CC3CC(C1)CC(C3)C2	SPJFEYSTYQLXJT-UHFFFAOYSA-N
DG52098	Ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate	308224	33205-76-4; ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate; CC 9147; CHEMBL1992616; DTXSID10308781; ZINC5181136; NSC208915; NSC-208915; NCI60_001754	.	.	Investigative Drug(s)	Investigative	Small molecular drug	208915	.	.	.	.	308.4	C17H28N2O3	58.6	408	2.9	22	1	3	6	"InChI=1S/C17H28N2O3/c1-3-19(11-15(20)22-4-2)16(21)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,3-11H2,1-2H3,(H,18,21)"	CCN(CC(=O)OCC)C(=O)NC12CC3CC(C1)CC(C3)C2	AHFGQKXJNIGZBT-UHFFFAOYSA-N
DG52099	Antibiotic A-31438	308371	"ANTIBIOTIC A-31438; NSC209870; 34698-88-9; NSC 209870; CHEMBL1997853; NSC-209870; NCI60_001758; A 31438; 4-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	209870	.	.	.	.	546.7	C28H50O10	163	822	1.9	38	5	10	3	"InChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3"	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C	WWWXDCNRNMZGEN-UHFFFAOYSA-N
DG52100	"2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-"	308637	"3977-17-1; SSA8WX9HQB; UNII-SSA8WX9HQB; NSC210486; 2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-; CHEMBL175747; 6-methyl-5-(3-phenylpropyl)pyrimidine-2,4-diamine; NSC 210486; DTXSID70192845; BDBM50391227; ZINC13283435; NSC-210486; NCI60_001763; 6-Methyl-5-(3-phenylpropyl)-2,4-pyrimidinediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210486	.	.	.	.	242.32	C14H18N4	77.8	240	2.7	18	2	4	4	"InChI=1S/C14H18N4/c1-10-12(13(15)18-14(16)17-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H4,15,16,17,18)"	CC1=C(C(=NC(=N1)N)N)CCCC2=CC=CC=C2	ZOLRHOYGCWXBKL-UHFFFAOYSA-N
DG52101	"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea"	308721	"NSC210739; 53459-36-2; NSC-210739; CHEMBL1979171; DTXSID20309007; NCI60_001767; (2,5-dioxo-imidazolidin-4-ylmethoxy)-urea; N-((2,5-dioxo-4-imidazolidinyl)methoxy)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210739	.	.	.	.	188.14	C5H8N4O4	123	253	-2.2	13	4	4	3	"InChI=1S/C5H8N4O4/c6-4(11)9-13-1-2-3(10)8-5(12)7-2/h2H,1H2,(H3,6,9,11)(H2,7,8,10,12)"	C(C1C(=O)NC(=O)N1)ONC(=O)N	OSNXEHYTTNFVIU-UHFFFAOYSA-N
DG52102	"2, 6-[(Bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-"	308827	"NSC210924; ZINC104169371; NSC-210924; 2, 6-[(bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	210924	.	.	.	.	485.4	C11H9BrCl5N4P	77.8	412	5.3	22	2	4	3	"InChI=1S/C11H9BrCl5N4P/c12-22(15,16,17)4-8-9(10(18)21-11(19)20-8)5-1-2-6(13)7(14)3-5/h1-3H,4H2,(H4,18,19,20,21)"	C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)CP(Cl)(Cl)(Cl)Br)Cl)Cl	CJJRHNVCPYJIJF-UHFFFAOYSA-N
DG52103	"s-Triazine, 4,6-diamino-1-(p-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,2-dihydro-2,2-dimethyl-"	308871	"NSC104129; 17077-18-8; CHEMBL97830; 1,3,5-Triazine-2,4-diamine, 1-(4-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,6-dihydro-6,6-dimethyl-; s-Triazine, 4,6-diamino-1-(p-(4-(2,4-dichlorophenyl)butyl)phenyl)-1,2-dihydro-2,2-dimethyl-; 1,3,5-Triazine-2,4-diamine, 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,6-dihydro-6,6-dimethyl-; s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,2-dihydro-2,2-dimethyl-; NSC210978; NSC 104129; NCIMech_000130; DTXSID30168940; BDBM50498875; CCG-35336; ZINC17039536; NSC-210978; 1-[4-[4-(2,4-dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine; NCI60_000101"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	104129	.	.	.	.	418.4	C21H25Cl2N5	80	583	5	28	2	1	6	"InChI=1S/C21H25Cl2N5/c1-21(2)27-19(24)26-20(25)28(21)17-11-7-14(8-12-17)5-3-4-6-15-9-10-16(22)13-18(15)23/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27)"	CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C	PDKJFRHBGYGOHD-UHFFFAOYSA-N
DG52104	N-(3-Nitrobenzyl)-4-methylbenzenesulfonamide	309044	NSC211193; MLS003115063; NSC-211193; 17400-36-1; NCIStruc1_001656; NCIStruc2_001554; CHEMBL1415488; DTXSID20309128; ZINC1748295; CCG-37022; NCGC00014586; NCI211193; NCGC00014586-02; NCGC00097690-01; NCI60_001774; SMR001830646; N-(3-Nitrobenzyl)-4-methylbenzenesulfonamide; N-(3-(hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211193	.	.	.	.	306.34	C14H14N2O4S	100	447	2.6	21	1	5	4	"InChI=1S/C14H14N2O4S/c1-11-5-7-14(8-6-11)21(19,20)15-10-12-3-2-4-13(9-12)16(17)18/h2-9,15H,10H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]	CCAKBSJQJAVJQW-UHFFFAOYSA-N
DG52105	"2,4-Diaminohexahydropyrimidine-5-carbonitrile"	309160	"NSC211332; NSC-211332; CHEMBL2005668; SCHEMBL13659326; NCI60_001775; 2,4-diaminohexahydro-5-pyrimidinecarbonitrile; 2,4-Diaminohexahydropyrimidine-5-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211332	.	.	.	.	141.18	C5H11N5	99.9	159	-2	10	4	5	0	"InChI=1S/C5H11N5/c6-1-3-2-9-5(8)10-4(3)7/h3-5,9-10H,2,7-8H2"	C1C(C(NC(N1)N)N)C#N	QMLSMSICNBXNLJ-UHFFFAOYSA-N
DG52106	"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid"	309191	"NSC211370; CHEMBL1973168; NSC-211370; 5-[4-(4-aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid; Sulfuric acid compound with 5-(4-(4-aminophenyl)butyl)-6-methyl-2,4-pyrimidinediamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211370	.	.	.	.	369.4	C15H23N5O4S	187	359	.	25	5	9	5	"InChI=1S/C15H21N5.H2O4S/c1-10-13(14(17)20-15(18)19-10)5-3-2-4-11-6-8-12(16)9-7-11;1-5(2,3)4/h6-9H,2-5,16H2,1H3,(H4,17,18,19,20);(H2,1,2,3,4)"	CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=C(C=C2)N.OS(=O)(=O)O	XBUKMTOKOUUQQK-UHFFFAOYSA-N
DG52107	"4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309279	"MLS002702081; SMR001565650; NSC211488; cid_309279; CHEMBL1878306; BDBM97177; NSC-211488; 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one; NCI60_001778; Pyrano[3, 4-(1,3-benzodioxol-5-yl)- 2-(3,4-dimethoxyphenyl)-; 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c][1]benzopyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211488	.	.	.	.	456.4	C27H20O7	72.4	850	4.9	34	0	7	4	"InChI=1S/C27H20O7/c1-29-20-9-8-16(12-23(20)30-2)22-13-18(15-7-10-21-24(11-15)32-14-31-21)25-26(33-22)17-5-3-4-6-19(17)34-27(25)28/h3-13,18H,14H2,1-2H3"	COC1=C(C=C(C=C1)C2=CC(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC6=C(C=C5)OCO6)OC	YVZUMPZSJNLBMY-UHFFFAOYSA-N
DG52108	"2-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309280	NSC211489; CHEMBL2005704; NSC-211489; NCI60_001779	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211489	.	.	.	.	456.4	C27H20O7	72.4	850	4.9	34	0	7	4	"InChI=1S/C27H20O7/c1-29-20-9-7-15(11-23(20)30-2)18-13-22(16-8-10-21-24(12-16)32-14-31-21)33-26-17-5-3-4-6-19(17)34-27(28)25(18)26/h3-13,18H,14H2,1-2H3"	COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)OC	AXGMPAAIRJSHFS-UHFFFAOYSA-N
DG52109	"2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	309281	"MLS000756507; SMR000528769; NSC211490; cid_309281; CHEMBL1495325; SCHEMBL15413430; BDBM63818; HMS2886I06; 2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one; NSC-211490; 2,4-bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c][1]benzopyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	211490	.	.	.	.	472.5	C28H24O7	72.4	835	5	35	0	7	6	"InChI=1S/C28H24O7/c1-30-21-11-9-16(13-24(21)32-3)19-15-23(17-10-12-22(31-2)25(14-17)33-4)34-27-18-7-5-6-8-20(18)35-28(29)26(19)27/h5-15,19H,1-4H3"	COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)OC	DLTJNJHNAJBVMS-UHFFFAOYSA-N
DG52110	"4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-"	309754	"IQF5NPS3ZY; UNII-IQF5NPS3ZY; NSC212183; 17005-34-4; 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-; NSC 212183; 2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde; CHEMBL1976506; DTXSID60168791; ZINC04633250; NSC-212183; NCI60_001786; 2,6-Diamino-5-(4-phenylbutyl)-4-pyrimidinecarboxaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212183	.	.	.	.	270.33	C15H18N4O	94.9	294	2.6	20	2	5	6	"InChI=1S/C15H18N4O/c16-14-12(13(10-20)18-15(17)19-14)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H4,16,17,18,19)"	C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O	ZYSUCKDURHLPJA-UHFFFAOYSA-N
DG52111	"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine"	309981	"NSC212446; 5-[4-(4-nitrophenyl)butyl]pyrimidine-2,4,6-triamine; CHEMBL1969983; ZINC4771825; NSC-212446; NCI60_001787; 2,4,6-Triamino-5-(4-(4-(hydroxy(oxido)amino)phenyl)butyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	212446	.	.	.	.	302.33	C14H18N6O2	150	344	2.3	22	3	7	5	"InChI=1S/C14H18N6O2/c15-12-11(13(16)19-14(17)18-12)4-2-1-3-9-5-7-10(8-6-9)20(21)22/h5-8H,1-4H2,(H6,15,16,17,18,19)"	C1=CC(=CC=C1CCCCC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]	ZULTXGJBOSJYDO-UHFFFAOYSA-N
DG52112	"2-chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide"	310867	MLS003115100; 20406-64-8; NSC215999; CHEMBL1904974; DTXSID90309796; ZINC1753225; NSC-215999; SMR001830683	.	.	Investigative Drug(s)	Investigative	Small molecular drug	215999	.	.	.	.	402.8	C20H19ClN2O5	76.2	577	2.5	28	0	5	7	"InChI=1S/C20H19ClN2O5/c1-27-13-7-8-17(28-2)16(11-13)22(18(24)12-21)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h3-8,11H,9-10,12H2,1-2H3"	COC1=CC(=C(C=C1)OC)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)CCl	CYEOPLVNUGTVGD-UHFFFAOYSA-N
DG52113	1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea	310951	MLS000756538; SMR000528786; NSC216183; 1-(3-fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea; cid_310951; CHEMBL1465815; BDBM46806; ZINC1753336; NSC-216183; 1-(3-fluorophenyl)-3-(2-methyl-5-nitro-phenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	216183	.	.	.	.	289.26	C14H12FN3O3	87	388	2.8	21	2	4	2	"InChI=1S/C14H12FN3O3/c1-9-5-6-12(18(20)21)8-13(9)17-14(19)16-11-4-2-3-10(15)7-11/h2-8H,1H3,(H2,16,17,19)"	CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)F	ITDLGYNNVUOGDE-UHFFFAOYSA-N
DG52114	"4-[3-(3,5-Dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione"	311908	"36753-17-0; ICRF 202; SCHEMBL727291; CHEMBL1967261; DTXSID90309897; 4-[3-(3,5-dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione; NSC218457; NSC-218457; NCI60_001821; 2, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)-(.+-.)-; 2, 4,4'-(1-ethyl-2-methyl-1,2-ethanediyl)bis-, (R*,S*)-(PM)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218457	.	.	.	.	296.32	C13H20N4O4	98.8	447	-0.4	21	2	6	4	"InChI=1S/C13H20N4O4/c1-3-9(17-6-12(20)15-13(21)7-17)8(2)16-4-10(18)14-11(19)5-16/h8-9H,3-7H2,1-2H3,(H,14,18,19)(H,15,20,21)"	CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	WEMJBSKVBVVFQG-UHFFFAOYSA-N
DG52115	"6-(Dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol"	311912	"55094-19-4; NSC218476; 6-(dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol; CHEMBL1984542; DTXSID20309901; NSC-218476; NCI60_001822; 6-THIO-.BETA.-D-GLUCOPYRANOSE, 6-(DIMETHYLARSINITE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	218476	.	.	.	.	300.21	C8H17AsO5S	115	206	.	15	4	6	3	"InChI=1S/C8H17AsO5S/c1-9(2)15-3-4-5(10)6(11)7(12)8(13)14-4/h4-8,10-13H,3H2,1-2H3"	C[As](C)SCC1C(C(C(C(O1)O)O)O)O	MGSFMZYHFQRBQS-UHFFFAOYSA-N
DG52116	"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine"	311931	"53274-34-3; NSC219498; DTXSID10309910; ZINC13283498; 6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[g]pteridine-2,4-diamine; NSC-219498"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	219498	.	.	.	.	300.4	C16H24N6	104	339	3.5	22	2	6	0	"InChI=1S/C16H24N6/c17-14-13-15(22-16(18)21-14)20-12-10-8-6-4-2-1-3-5-7-9-11(12)19-13/h1-10H2,(H4,17,18,20,21,22)"	C1CCCCCC2=C(CCCC1)N=C3C(=NC(=NC3=N2)N)N	DALYAYWASLGRMT-UHFFFAOYSA-N
DG52117	"2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione"	312122	"64102-02-9; NSC-220334; NSC220334; DTXSID70309971; ZINC104181925; NSC 220334; Replaced CAS registry number(s): 66835-31-2; 2,4-dione, 2-chloro-3-(dodecylthio)-5,6-dimethoxy-; 2-CHLORO-3-(DODECYLSULFANYL)-5,6-DIMETHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	220334	.	.	.	.	403	C20H31ClO4S	77.9	540	7.5	26	0	5	14	"InChI=1S/C20H31ClO4S/c1-4-5-6-7-8-9-10-11-12-13-14-26-20-15(21)16(22)18(24-2)19(25-3)17(20)23/h4-14H2,1-3H3"	CCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl	XZZRDSLWZIGIPZ-UHFFFAOYSA-N
DG52118	Wortmannin	312145	"wortmannin; 19545-26-7; Wartmannin; KY 12420; Antibiotic SL-2052; SL-2052; UNII-XVA4O219QW; MFCD00133927; NSC221019; XVA4O219QW; MLS002703028; CHEMBL428496; CHEBI:52289; KY-12420; Pi 3-Kinase Inhibitor; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1alpha,11alpha)-11-(Acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione; (1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate.; (1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; wortmanin; C23H24O8; NSC627609; Wortmannin, Wm; nchembio866-comp1; NSC 627609; BRN 0067676; SCHEMBL4531; BSPBio_001232; 4-19-00-03134 (Beilstein Handbook Reference); cid_312145; GTPL6060; MEGxm0_000446; DTXSID8040642; Wortmannin, Ready Made Solution; Wortmannin,Penicillium wortmannin; ACon0_000951; BDBM15234; HMS1792N13; HMS1990N13; HMS3403N13; Wortmannin, Penicillium funiculosum; EX-A1930; ZINC1619592; 2100AH; 2803AH; s2758; ST-415; Wortmannin - CAS 19545-26-7; CCG-208290; CS-5073; DB08059; NSC-221019; NSC-627609; Wortmannin, from Penicillium funiculosum; Wortmannin; SL-2052; KY-12420; NCGC00163485-01; NCGC00163485-02; BS-16306; HY-10197; NCI60_001835; SMR001566836; CU-00000000011-1; J-012661; BRD-K87343924-001-02-4; 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE; Wortmannin solution, 100 mug/mL in acetonitrile, analytical standard; Wortmannin, from Penicillium funiculosum, >=98% (HPLC and TLC); 3H-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,; (1R,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate; (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,; [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate; 2-Oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-; 3H-Furo[4,2-de]indeno[4,5,-h]-2-benzopyran-3,6,9-trione, 11-(Acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6br,9aS,11R,11bR); 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-; 3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; 6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-; octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, [1S-(1alpha,6baalpha,9abeta,11alpha,11bbeta)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	221019	.	.	.	.	428.4	C23H24O8	109	921	1.2	31	0	8	4	"InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1"	CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C	QDLHCMPXEPAAMD-QAIWCSMKSA-N
DG52119	"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione"	312602	"18093-43-1; NSC222722; 2,3-bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione; CHEMBL1972789; DTXSID30310205; ZINC1756562; NSC-222722; 2,3-bis(2-naphthylsulfanyl)naphthalene-1,4-dione; 1,4-Naphthalenedione, 2,3-bis(2-naphthalenylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	222722	.	.	.	.	474.6	C30H18O2S2	84.7	753	8.5	34	0	4	4	InChI=1S/C30H18O2S2/c31-27-25-11-5-6-12-26(25)28(32)30(34-24-16-14-20-8-2-4-10-22(20)18-24)29(27)33-23-15-13-19-7-1-3-9-21(19)17-23/h1-18H	C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5	KPICMJZBYHEMQM-UHFFFAOYSA-N
DG52120	"6-N-[(3,4-dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine"	312901	"40066-33-9; NSC225112; CHEMBL3278315; DTXSID20310315; NSC-225112; 6-N-[(3,4-dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine; 2,6-Quinazolinetriamine, N(6)-[(3,4-dichlorophenyl)methyl]-N(6)-ethyl-5-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	225112	.	.	.	.	376.3	C18H19Cl2N5	81.1	440	4.4	25	2	5	4	"InChI=1S/C18H19Cl2N5/c1-3-25(9-11-4-5-12(19)13(20)8-11)15-7-6-14-16(10(15)2)17(21)24-18(22)23-14/h4-8H,3,9H2,1-2H3,(H4,21,22,23,24)"	CCN(CC1=CC(=C(C=C1)Cl)Cl)C2=C(C3=C(C=C2)N=C(N=C3N)N)C	VADOLDYAUSTMFK-UHFFFAOYSA-N
DG52121	"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine"	313216	"NSC226798; NSC-226798; CHEMBL1742150; CCG-37874; NCGC00014593; NCI226798; NCGC00014593-02; NCGC00097697-01; NCI60_001852; 2,4,5-trichloro-6-methoxypyrimidine compound with 4,5,6-trichloro-2-methoxypyrimidine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	226798	.	.	.	.	426.9	C10H6Cl6N4O2	70	262	.	22	0	6	2	InChI=1S/2C5H3Cl3N2O/c1-11-4-2(6)3(7)9-5(8)10-4;1-11-5-9-3(7)2(6)4(8)10-5/h2*1H3	COC1=C(C(=NC(=N1)Cl)Cl)Cl.COC1=NC(=C(C(=N1)Cl)Cl)Cl	KNUOTVCVWRPDIZ-UHFFFAOYSA-N
DG52122	"1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-"	313371	"MLS002703030; 57999-03-8; NSC227279; CHEMBL1699836; 1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-; 5,8-Dihydroxy-2,3-bis(hydroxymethyl)naphthoquinone; SMR001566838; 5,8-dihydroxy-2,3-bis(hydroxymethyl)naphthalene-1,4-dione; NSC 227279; 5,8-dihydroxy-6,7-bis(hydroxymethyl)naphthalene-1,4-dione; Neuro_000113; cid_313371; BDBM80749; DTXSID20973565; ZINC5566507; BDBM50174540; NSC-227279; NCI60_001859; 1, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-; 5,8-dihydroxy-6,7-dimethylol-1,4-naphthoquinone; 6,7-bis(hydroxymethyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	227279	.	.	.	.	250.2	C12H10O6	115	354	0.1	18	4	6	2	"InChI=1S/C12H10O6/c13-3-5-6(4-14)12(18)10-8(16)2-1-7(15)9(10)11(5)17/h1-2,13-14,17-18H,3-4H2"	C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)CO)CO)O	UKIJXKRMFLDSMY-UHFFFAOYSA-N
DG52123	"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide"	313562	"MLS003115151; Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide; SMR001830734; 18378-05-7; NSC228082; cid_313562; CHEMBL1888405; BDBM96294; DTXSID70310527; 4-morpholin-4-yl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; ZINC5339759; NSC-228082; DS-007116; 7-morpholino-4-nitro-1-oxido-benzofurazan-1-ium; BRD-K19291880-001-04-6; 4-(4-morpholinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium; 4-morpholin-4-yl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228082	.	.	.	.	266.21	C10H10N4O5	110	345	1	19	0	7	1	"InChI=1S/C10H10N4O5/c15-13(16)7-1-2-8(12-3-5-18-6-4-12)10-9(7)11-19-14(10)17/h1-2H,3-6H2"	C1COCCN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	VJBMAFLDXIZVDK-UHFFFAOYSA-N
DG52124	"7-[(3-Methoxyphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole"	313591	"53619-48-0; NSC228120; DTXSID90310549; NSC-228120; DS-010371; Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide; 7-[(3-Methoxyphenyl)sulfanyl]-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228120	.	.	.	.	319.29	C13H9N3O5S	132	410	3.3	22	0	7	3	"InChI=1S/C13H9N3O5S/c1-20-8-3-2-4-9(7-8)22-11-6-5-10(15(17)18)12-13(11)16(19)21-14-12/h2-7H,1H3"	COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]	UTDUSKUUJBCURF-UHFFFAOYSA-N
DG52125	"6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium"	313603	MLS002702087; 61785-82-8; NSC228132; CHEMBL1736432; DTXSID80310558; ZINC5339801; NSC-228132; NCI60_001860; SMR001565656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228132	.	.	.	.	264.24	C11H12N4O4	101	344	2.2	19	0	6	1	"InChI=1S/C11H12N4O4/c16-14(17)11-6-8-9(15(18)19-12-8)7-10(11)13-4-2-1-3-5-13/h6-7H,1-5H2"	C1CCN(CC1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-]	JVZAGLAAFBGAEY-UHFFFAOYSA-N
DG52126	"7-Nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole"	313619	"NSC228155; 113104-25-9; NSC-228155; NSC 228155; MLS000756562; 2-[(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio]pyridine 1-oxide; CHEMBL505670; cid_313619; SCHEMBL22773985; BDBM25469; HMS2796J10; EX-A3226; ZINC1757986; 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole; s8312; AKOS033457659; CCG-267377; BS-14426; SMR000448993; HY-101084; CS-0020796; D80527; Z1603365293; 2-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-ylthio)pyridine 1-oxide; 4-nitro-7-[(1-oxidopyridin-2-yl)sulfanyl]-2,1,3-benzoxadiazole; 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidopyridin-1-ium; 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]pyridin-1-ium-1-olate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	228155	.	.	.	.	290.26	C11H6N4O4S	136	369	1.3	20	0	7	2	InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H	C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]	ICCFXXDUYSPKOL-UHFFFAOYSA-N
DG52127	N-(4-Dimethylaminodiazenylphenyl)propanamide	314336	2084-62-0; NSC231660; N-(4-DIMETHYLAMINODIAZENYLPHENYL)PROPANAMIDE; CHEMBL1975748; DTXSID00310777; ZINC17045428; ZINC104183443; NSC-231660	.	.	Investigative Drug(s)	Investigative	Small molecular drug	231660	.	.	.	.	220.27	C11H16N4O	57.1	244	2.3	16	1	4	4	"InChI=1S/C11H16N4O/c1-4-11(16)12-9-5-7-10(8-6-9)13-14-15(2)3/h5-8H,4H2,1-3H3,(H,12,16)"	CCC(=O)NC1=CC=C(C=C1)N=NN(C)C	SFVATGHXWOFZOT-UHFFFAOYSA-N
DG52128	"2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione"	314728	"MLS002702089; SMR001565658; 58511-94-7; NSC234214; cid_314728; CHEMBL1729300; BDBM80076; DTXSID00310914; ZINC1761163; 2,3-dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione; NSC 234214; NSC-234214; NCI60_001892; 2,3-dimethoxy-5-(2-naphthylthio)-p-benzoquinone; 2,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-; 2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-diene-1,4-dione; 2,3-dimethoxy-5-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234214	.	.	.	.	326.4	C18H14O4S	77.9	563	3.9	23	0	5	4	"InChI=1S/C18H14O4S/c1-21-17-14(19)10-15(16(20)18(17)22-2)23-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3"	COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC	JYXVVHHLNIBPJM-UHFFFAOYSA-N
DG52129	beta-Scillarenin	314799	"NSC234669; Scillarenine; Transvaalin aglycon; .beta.-Scillarenin; 3.beta.-Scillarenin; SCHEMBL1650091; CHEMBL1982527; NSC-234669; NCI60_001895; Bufa-4,22-trienolide, 3.beta.,14-dihydroxy-; Bufa-4,22-trienolide, 3,14-dihydroxy-, (3.beta.)-; WLN: L E5 B666 MUTJ A1 E1 IQ OQ F- ET6OVJ"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	234669	.	.	.	.	384.5	C24H32O4	66.8	794	2.9	28	2	4	1	"InChI=1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18 ,19-,20+,22-,23+,24-/m0/s1"	C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CCC4C5=COC(=O)C=C5)O)C)O	OVUOVMIMOCJILI-GDWHAHJOSA-N
DG52130	Ellipticine N-oxide	315033	"Ellipticine N-oxide; NSC237068; 37687-33-5; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole 2-oxide; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole 2-oxide; NSC 237068; CHEMBL302094; ZINC1762401; NSC-237068; NCI60_001907; 5,11-dimethyl-2-oxido-6H-pyrido[4,3-b]carbazol-2-ium; 6H-Pyrido[4, 5,11-dimethyl-, 2-oxide 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-, N-oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237068	.	.	.	.	262.3	C17H14N2O	35.8	633	3.7	20	1	3	0	"InChI=1S/C17H14N2O/c1-10-14-9-19(20)8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)18-17/h3-9,20H,1-2H3"	CC1=C2C=CN(C=C2C(=C3C1=NC4=CC=CC=C43)C)O	DNDAFFBIWNXNJB-UHFFFAOYSA-N
DG52131	"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	315063	MLS003115189; 64101-97-9; NSC237677; CHEMBL1736502; DTXSID70311094; ZINC1762477; NSC-237677; SMR001830772	.	.	Investigative Drug(s)	Investigative	Small molecular drug	237677	.	.	.	.	312.4	C16H24O4S	77.9	438	4.5	21	0	5	10	"InChI=1S/C16H24O4S/c1-4-5-6-7-8-9-10-21-13-11-12(17)15(19-2)16(20-3)14(13)18/h11H,4-10H2,1-3H3"	CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC	HJWWFWFGMWCDJK-UHFFFAOYSA-N
DG52132	"6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione"	315310	"97301-63-8; CB 1739; BRN 0931410; Spiro(imidazolidine-4,5-dione, 6'-[bis(2-chloroethyl)amino]-2',3'-dihydro-; Spiro[imidazolidine-4,5-dione, 6'-[bis(2-chloroethyl)amino]-2',3'-dihydro-; NSC240386; 6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione; Spiro(imidazolidine-4,1'-indan)-2,5-dione, 6'-(bis(2-chloroethyl)amino)-; CHEMBL2007563; DTXSID50913999; NSC-240386; NCI60_001927; 6'-[Bis(2-chloroethyl)amino]-2',3'-dihydrospiro[imidazole-4,1'-indene]-2,5-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240386	.	.	.	.	342.2	C15H17Cl2N3O2	61.4	456	2.2	22	2	3	5	"InChI=1S/C15H17Cl2N3O2/c16-5-7-20(8-6-17)11-2-1-10-3-4-15(12(10)9-11)13(21)18-14(22)19-15/h1-2,9H,3-8H2,(H2,18,19,21,22)"	C1CC2(C3=C1C=CC(=C3)N(CCCl)CCCl)C(=O)NC(=O)N2	SLOOKLJYJCGNRB-UHFFFAOYSA-N
DG52133	"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-"	315392	"MLS003115218; NSC240553; CHEMBL2354767; NSC-240553; SMR001830800; 5,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-; 5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240553	.	.	.	.	414.4	C22H22O8	92.7	629	2.2	30	1	8	5	"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(29-9-28-14)7-12(11)20-13(8-23)19(18)22(24)30-20/h4-7,13,18-20,23H,8-9H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C2C3C(C(C4=CC5=C(C=C24)OCO5)OC3=O)CO	IXIUIXFHMVRZSY-UHFFFAOYSA-N
DG52134	"1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-"	315496	"MLS003115224; 1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-; NSC240755; CHEMBL2135555; ZINC1763349; NSC-240755; SMR001830806"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240755	.	.	.	.	263.5	C10H9Cl3N2	17.8	215	3	15	0	1	3	"InChI=1S/C10H9Cl3N2/c11-3-4-15-9-5-7(13)1-2-8(9)14-10(15)6-12/h1-2,5H,3-4,6H2"	C1=CC2=C(C=C1Cl)N(C(=N2)CCl)CCCl	AKNZHAUTXUWGGO-UHFFFAOYSA-N
DG52135	"N,N'-bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine"	315508	NSC240800; CHEMBL1992855; ZINC4773967; NSC-240800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	240800	.	.	.	.	542.7	C38H30N4	49.8	807	10	42	2	4	7	"InChI=1S/C38H30N4/c1-3-9-33-25(7-1)11-13-27-21-29-23-31(15-17-35(29)41-37(27)33)39-19-5-6-20-40-32-16-18-36-30(24-32)22-28-14-12-26-8-2-4-10-34(26)38(28)42-36/h1-4,7-18,21-24,39-40H,5-6,19-20H2"	C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC(=C4)NCCCCNC5=CC6=C(C=C5)N=C7C(=C6)C=CC8=CC=CC=C87)N=C32	WTFZDIIBNGNKSR-UHFFFAOYSA-N
DG52136	NSC333843	315682	"(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one;(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one; NSC333843; CHEMBL1985850; NSC241248; NSC-241248; NSC-333843; NCI60_002921"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333843	.	.	.	.	464.6	C30H40O4	52.6	830	.	34	0	4	0	"InChI=1S/2C15H20O2/c2*1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3;11-13H,1-2,4-8H2,3H3/t9-,11+,13+,15+;11-,12+,13-,15-/m01/s1"	C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C.C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C	BSIJWVLHHXRGIG-YULDBFNHSA-N
DG52137	"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione"	315743	NSC241494; ZINC1763909; NSC-241494	.	.	Investigative Drug(s)	Investigative	Small molecular drug	241494	.	.	.	.	260.399	C15H16O2S	59.4	371	3.7	18	0	3	4	"InChI=1S/C15H16O2S/c1-10(2)7-8-18-14-9-13(16)11-5-3-4-6-12(11)15(14)17/h3-6,9-10H,7-8H2,1-2H3"	CC(C)CCSC1=CC(=O)C2=CC=CC=C2C1=O	MWXOICKRBDTGJY-UHFFFAOYSA-N
DG52138	"1-Butanesulfonamide, monomethanesulfonate"	316348	"NSC243930; CHEMBL1984865; DTXSID40908470; NSC-243930; 1-Butanesulfonamide, monomethanesulfonate; 103554-60-5; Methanesulfonic acid--N-{4-[(acridin-9(10H)-ylidene)amino]-3-methoxyphenyl}butane-1-sulfonamide (1/1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	243930	.	.	.	.	531.6	C25H29N3O6S2	151	738	.	36	3	9	8	"InChI=1S/C24H25N3O3S.CH4O3S/c1-3-4-15-31(28,29)27-17-13-14-22(23(16-17)30-2)26-24-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)24;1-5(2,3)4/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,26);1H3,(H,2,3,4)"	CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O	ACMLFRXOFKPNRH-UHFFFAOYSA-N
DG52139	NSC244425	316447	"N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; Triostin A; NSC244425; N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; 13758-27-5; N-[(1S,4S,7R,11S,14S,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide; CHEMBL2007041; NSC-244425; NCI60_001953; L-Valine, bimol. lactone, cyclic disulfide; B100928K382"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	244425	.	.	.	.	1087.2	C50H62N12O12S2	352	2010	2	76	4	18	6	"InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)"	CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C	GULVULFEAVZHHC-UHFFFAOYSA-N
DG52140	"2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl"	316673	"39215-21-9; 2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl; 61601-94-3; 1,1'-Bi(2,3-naphthodiol); [1,1'-Binaphthalene]-2,2',3,3'-tetraol; 1-(2,3-dihydroxynaphthalen-1-yl)naphthalene-2,3-diol; 1,1-Bi(2,3-naphthodiol); [1,1'-Binaphthalene]-2,2',3,3'-tetrol; 2,3,2',3'-TETRAHYDROXY-1,1'-BINAPHTHYL; ZINC01765622; NSC245006; SCHEMBL918396; [1,2',3,3'-tetrol; DTXSID70959990; 1,1'-Bi[2,3-naphthalenediol]; ZINC1765622; MFCD00188003; AKOS025402000; NSC-245006; 1,1'-binaphthyl-2,2',3,3'-tetraol; AC-27936; AS-63237; DB-053944; FT-0640768; T1754; D92519; (aR)-1,1'-Binaphthalene-2,2',3,3'-tetraol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245006	.	.	.	.	318.3	C20H14O4	80.9	401	4.6	24	4	4	1	"InChI=1S/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H"	C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O	OOSHJGKXQBJASF-UHFFFAOYSA-N
DG52141	[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate	316843	"NSC245341; 54845-15-7; DTXSID70311791; ZINC1765947; NSC-245341; 1, 5-[bis(2-chloroethyl)amino]-, dicarbamate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245341	.	.	.	.	336.17	C12H15Cl2N3O4	108	329	1.6	21	2	5	9	"InChI=1S/C12H15Cl2N3O4/c13-1-3-17(4-2-14)8-5-9(20-11(15)18)7-10(6-8)21-12(16)19/h5-7H,1-4H2,(H2,15,18)(H2,16,19)"	C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl	YGGDABPJGGNPPC-UHFFFAOYSA-N
DG52142	"[3,4,5-Triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate"	316858	"NSC245432; 42936-80-1; CHEMBL417798; DTXSID90874959; 58484-10-9; NSC-245432; NCI60_001962; Urea,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-; UREA, N-(2-CHLOROETHYL)-N-NITROSO-N'-(2,3,4,6-TE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	245432	.	.	.	.	481.8	C17H24ClN3O11	176	735	0.8	32	1	12	12	"InChI=1S/C17H24ClN3O11/c1-8(22)28-7-12-13(29-9(2)23)14(30-10(3)24)15(31-11(4)25)16(32-12)19-17(26)21(20-27)6-5-18/h12-16H,5-7H2,1-4H3,(H,19,26)"	CC(=O)OCC1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C	AOUKENUMKWIYHM-UHFFFAOYSA-N
DG52143	"3-(Pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one"	317081	"51216-58-1; NSC246399; ST085749; 3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one; Oprea1_564032; MLS000113763; SCHEMBL6738816; CHEMBL1608535; DTXSID10311896; HMS2156G17; HMS3312H18; ZINC1149129; STK522977; AKOS000369721; MCULE-4565984730; NSC-246399; SDCCGMLS-0035494.P002; SMR000109655; DS-001022; CS-0118354; 3-pyridin-3-ylmethyl-2-thioxo-thiazolidin-4-one; SR-01000254146; SR-01000254146-1; Thiazolidin-4-one, 3-pyridin-3-ylmethyl-2-thioxo-; 3-(3-Pyridinylmethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one; 3-(Pyridin-3-ylmethyl)-2-sulfanylidene-thiazolidin-4-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246399	.	.	.	.	224.3	C9H8N2OS2	90.6	257	1.3	14	0	4	2	"InChI=1S/C9H8N2OS2/c12-8-6-14-9(13)11(8)5-7-2-1-3-10-4-7/h1-4H,5-6H2"	C1C(=O)N(C(=S)S1)CC2=CN=CC=C2	HVOPSRSIFJPCRF-UHFFFAOYSA-N
DG52144	"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	317088	"NSC246406; 3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC-246406"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246406	.	.	.	.	384.3	C21H15Cl2NS	37.7	467	6.5	25	0	2	2	"InChI=1S/C21H15Cl2NS/c22-16-9-6-10-17(23)20(16)15-13-25-19-12-5-4-11-18(19)24-21(15)14-7-2-1-3-8-14/h1-12,15H,13H2"	C1C(C(=NC2=CC=CC=C2S1)C3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl	WKIVNKVZPKISLV-UHFFFAOYSA-N
DG52145	"2-(3-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	317089	"2-(3-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; 60246-86-8; 2-(3-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC246407; NSC 246407; Bio7F3; CCG-237124; MCULE-3904093681; NSC-246407"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246407	.	.	.	.	360.4	C21H16N2O2S	83.5	527	4.9	26	0	4	2	"InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]	XXYPDVRSHFSOFF-UHFFFAOYSA-N
DG52146	"2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile"	317098	"32409-95-3; 2-(3-CHLOROPROPANOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE; NSC246968; DTXSID70311897; 1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-; NSC-246968; 2-(3-Chloropropionyl)-1,2-dihydroisoquinoline-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	246968	.	.	.	.	246.69	C13H11ClN2O	44.1	371	1.9	17	0	2	2	"InChI=1S/C13H11ClN2O/c14-7-5-13(17)16-8-6-10-3-1-2-4-11(10)12(16)9-15/h1-4,6,8,12H,5,7H2"	C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N	OVKNQLCXEQHYLH-UHFFFAOYSA-N
DG52147	1-Acridin-9-ylpiperidin-4-ol	317251	NSC248040; CHEMBL1993956; ZINC31740120; NSC-248040	.	.	Investigative Drug(s)	Investigative	Small molecular drug	248040	.	.	.	.	278.3	C18H18N2O	36.4	331	3.5	21	1	3	1	"InChI=1S/C18H18N2O/c21-13-9-11-20(12-10-13)18-14-5-1-3-7-16(14)19-17-8-4-2-6-15(17)18/h1-8,13,21H,9-12H2"	C1CN(CCC1O)C2=C3C=CC=CC3=NC4=CC=CC=C42	ROUXDRGKRHPJQI-UHFFFAOYSA-N
DG52148	7-Chlorocamptothecin	317560	"7-Chlorocamptothecin; NSC249910; 41646-05-3; SCHEMBL5319306; CHEMBL1970399; DTXSID30961872; NSC-249910; NCI60_001992; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 11-chloro-4-ethyl-4-hydroxy-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249910	.	.	.	.	382.8	C20H15ClN2O4	79.7	778	1.6	27	1	5	1	"InChI=1S/C20H15ClN2O4/c1-2-20(26)13-7-15-17-11(16(21)10-5-3-4-6-14(10)22-17)8-23(15)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1"	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)Cl)O	KUAKYFCHUDSMNU-FQEVSTJZSA-N
DG52149	"11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one"	317561	"NSC249911; 57182-93-1; 11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one; 11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14-one; NSC 249911; chloro-ethyl-hydroxy-[ ]one; CHEMBL1971583; DTXSID90972641; NSC-249911; NCI60_001993; {1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12H)-one,} 11-chloro-4-ethyl-3,4-dihydro-3-hydroxy-; 1H-Pyrano[3',7]indolizino[1,2-b]quinolin-14(12H)-one, 11-chloro-4-ethyl-3,4-dihydro-3-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	249911	.	.	.	.	368.8	C20H17ClN2O3	62.7	691	1.9	26	1	4	1	"InChI=1S/C20H17ClN2O3/c1-2-10-12-7-16-18-13(17(21)11-5-3-4-6-15(11)22-18)8-23(16)19(24)14(12)9-26-20(10)25/h3-7,10,20,25H,2,8-9H2,1H3"	CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O	NVUCXWARTRYWFI-UHFFFAOYSA-N
DG52150	"Benzoic acid;4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol"	317587	"MLS003115308; SMR001830888; 13263-58-6; NSC250293; CHEMBL1902287; DTXSID80312118; NSC-250293; SR-01000886466; SR-01000886466-2; 1, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, monobenzoate (salt); 1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, monobenzoate (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250293	.	.	.	.	425.5	C24H27NO6	130	423	.	31	6	7	7	"InChI=1S/C17H21NO4.C7H6O2/c1-11(8-12-2-5-14(19)6-3-12)18-10-17(22)13-4-7-15(20)16(21)9-13;8-7(9)6-4-2-1-3-5-6/h2-7,9,11,17-22H,8,10H2,1H3;1-5H,(H,8,9)"	CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O.C1=CC=C(C=C1)C(=O)O	WJXXXRPUINHURH-UHFFFAOYSA-N
DG52151	CID 317640	317640	"Oridonin; ISODONOL; NSC250682; MLS003115310; NSC-250682; 28957-04-2; Kaur-16-en-15-one,20-epoxy-1,6,7,14-tetrahydroxy-, (1a,6b,7a,14R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250682	.	.	.	.	364.4	C20H28O6	107	717	0.1	26	4	6	0	"InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10 ,11-,12-,13+,15+,16-,18-,19 ,20 /m0/s1"	CC1(CC[C@@H]([C@@]23[C@@H]1[C@@H](C(C45[C@H]2CCC([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C	SDHTXBWLVGWJFT-JICVRJLYSA-N
DG52152	Palmitoyl Ara-C	317641	"MLS002702102; Palmitoyl Ara-C; CHEMBL62507; SCHEMBL20809906; DTXSID30971097; NSC250684; NSC-250684; NCI60_001997; SMR001565670; Hexadecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-; 4-(Hexadecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250684	.	.	.	.	481.6	C25H43N3O6	132	684	6	34	4	6	17	"InChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30)26-20-16-17-28(25(33)27-20)24-23(32)22(31)19(18-29)34-24/h16-17,19,22-24,29,31-32H,2-15,18H2,1H3,(H,26,27,30,33)"	CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	XEFNBUBDJCJOGM-UHFFFAOYSA-N
DG52153	"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-lauroyl-"	317642	"NSC250686; CHEMBL1978256; SCHEMBL23433256; DTXSID10971095; NSC-250686; NCI60_001998; Dodecanamide,2-dihydro-2-oxo-4-pyrimidinyl)-; Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-; 4-(Dodecanoylimino)-1-pentofuranosyl-1,4-dihydropyrimidin-2-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	250686	.	.	.	.	425.5	C21H35N3O6	132	624	3.8	30	4	6	13	"InChI=1S/C21H35N3O6/c1-2-3-4-5-6-7-8-9-10-11-17(26)22-16-12-13-24(21(29)23-16)20-19(28)18(27)15(14-25)30-20/h12-13,15,18-20,25,27-28H,2-11,14H2,1H3,(H,22,23,26,29)"	CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O	DIQMOLNTZYUDBX-UHFFFAOYSA-N
DG52154	"[3,4,5-Triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate"	317776	"NSC251198; 57595-73-0; CHEMBL1981453; DTXSID40312210; NSC-251198; NCI60_002002; 4,8-DIMETHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)-1H-BENZ[G]INDAZOLE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251198	.	.	.	.	560.5	C27H32N2O11	151	947	1.6	40	0	12	12	"InChI=1S/C27H32N2O11/c1-13(30)36-12-22-24(37-14(2)31)25(38-15(3)32)26(39-16(4)33)27(40-22)29-23-18(11-28-29)8-7-17-9-20(34-5)21(35-6)10-19(17)23/h9-11,22,24-27H,7-8,12H2,1-6H3"	CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=CC(=C(C=C43)OC)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C	CZORZRFQLNOLAY-UHFFFAOYSA-N
DG52155	(-)-Dicentrine	317843	"(-)-Dicentrine; Dicentrine, (-)-; L-DICENTRINE; 28832-07-7; NSC-251699; UNII-5O9KK11109; NSC251699; MLS000575015; 5O9KK11109; SMR000156300; (R)-(-)-Dicentrine; (R)-10,11-dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline; Dicentrine L-form [MI]; NSC 251699; DICENTRINE-(-); CHEMBL478754; cid_317843; BDBM70841; HMS2223B12; ZINC1556419; NCGC00247614-01; 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aR)-; NCI60_002017; Q27262635; UNII-J3IJ5DN3JE component YJWBWQWUHVXPNC-CQSZACIVSA-N; 5H-Benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (R)-; (12R)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251699	.	.	.	.	339.4	C20H21NO4	40.2	502	3.2	25	0	5	2	"InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1"	CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)OC)OC)OCO3	YJWBWQWUHVXPNC-CQSZACIVSA-N
DG52156	"2-Chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone"	317884	"NSC251757; 2-chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone; CHEMBL1979403; ZINC1556460; NSC-251757; 95046-88-1; NCI60_002018; 2-CHLORO-6-(4-CHLOROPHENYL)-2,4-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251757	.	.	.	.	253.08	C12H6Cl2O2	34.1	388	3.1	16	0	2	1	InChI=1S/C12H6Cl2O2/c13-8-3-1-7(2-4-8)10-5-9(15)6-11(14)12(10)16/h1-6H	C1=CC(=CC=C1C2=CC(=O)C=C(C2=O)Cl)Cl	MNGDMRAWWJWYRE-UHFFFAOYSA-N
DG52157	"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester"	317895	"dimethyl 2-bromo-3-fluorobutanedioate; 36875-34-0; Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester; 1992-93-4; dimethyl 2-bromo-3-fluoro-butanedioate; NSC251805; DIMETHYLTHREO-2-BROMO-3-FLUOROSUCCINATE; CHEMBL1981684; DTXSID10941834; NSC272364; NSC297895; NSC-251805; NSC-272364; NSC-297895; METHYL 2-BROMO-3-FLUOROSUCCINATE; NCI60_002020; DS-007320; 1,4-DIMETHYL 2-BROMO-3-FLUOROBUTANEDIOATE; A823420"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	251805	.	.	.	.	243.03	C6H8BrFO4	52.6	184	1.2	12	0	5	5	"InChI=1S/C6H8BrFO4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3"	COC(=O)C(C(C(=O)OC)Br)F	UOQPHRJOTAQHPN-UHFFFAOYSA-N
DG52158	"2-Chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	318118	"66777-02-4; NSC-252188; NSC252188; CHEMBL1966705; DTXSID70312329; ZINC1556939; 2-chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione; NCI60_002024; DS-003666; 2,4-dione, 2-chloro-5,6-dimethoxy-3-(octylthio)-; 2,5-Cyclohexadiene-1,4-dione, 2-chloro-5, 6-dimethoxy-3-(octylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	252188	.	.	.	.	346.9	C16H23ClO4S	77.9	483	5.4	22	0	5	10	"InChI=1S/C16H23ClO4S/c1-4-5-6-7-8-9-10-22-16-11(17)12(18)14(20-2)15(21-3)13(16)19/h4-10H2,1-3H3"	CCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl	QVLRYWZYUQDULC-UHFFFAOYSA-N
DG52159	Phomazarin	318385	Phomazarin; NSC254677; CHEMBL1965337; NSC-254677; NCI60_002045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	254677	.	.	.	.	387.3	C19H17NO8	150	811	3.7	28	4	9	5	"InChI=1S/C19H17NO8/c1-3-4-5-7-9(28-2)6-8(21)11-10(7)16(23)13-12(15(11)22)17(24)18(25)14(20-13)19(26)27/h6,21,25H,3-5H2,1-2H3,(H,20,24)(H,26,27)"	CCCCC1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=O)C(=C(N3)C(=O)O)O)O)OC	YGIXUDSUMVVCHC-UHFFFAOYSA-N
DG52160	"4-(2-Pyridinylmethyl)thiomorpholine 1,1-dioxide"	318461	"NSC255025; 477864-24-7; MLS000756591; NSC-255025; 4-(2-pyridinylmethyl)thiomorpholine 1,1-dioxide; 4-[(pyridin-2-yl)methyl]-1lambda6-thiomorpholine-1,1-dione; Bionet2_000480; NCIStruc1_000873; NCIStruc2_001747; Oprea1_192956; 4-(pyridin-2-ylmethyl)-1,4-thiazinane 1,1-dioxide; CHEMBL1334397; HMS1365F18; HMS2886G10; CCG-37836; MFCD02570782; NCGC00014612; NCI255025; ZINC57677586; AKOS005081182; MCULE-7633084896; NCGC00014612-02; NCGC00097715-01; NCI60_002048; SMR000528811; 4-(2-Pyridinylmethyl)-4-thiazinane-1,1-dione; 12P-614; 4-(pyridin-2-ylmethyl)thiomorpholine 1,1-dioxide; 4-(pyridin-2-ylmethyl)-1  -thiomorpholine-1,1-dione; F6543-1158"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255025	.	.	.	.	226.3	C10H14N2O2S	58.6	283	-0.1	15	0	4	2	"InChI=1S/C10H14N2O2S/c13-15(14)7-5-12(6-8-15)9-10-3-1-2-4-11-10/h1-4H,5-9H2"	C1CS(=O)(=O)CCN1CC2=CC=CC=N2	QSMZTYDRYNBYDC-UHFFFAOYSA-N
DG52161	"2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	318492	"NSC255088; 70321-33-4; NSC-255088; CHEMBL1997121; DTXSID20312470; AKOS024431986; MCULE-6967848266; NCI60_002049; ALPHA,BETA-DIBROMO-2-NITROHYDROCINNAMIC ACID; 2,3-dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255088	.	.	.	.	352.96	C9H7Br2NO4	83.1	281	2.7	16	1	4	3	"InChI=1S/C9H7Br2NO4/c10-7(8(11)9(13)14)5-3-1-2-4-6(5)12(15)16/h1-4,7-8H,(H,13,14)"	C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-]	ZZBGCCIQPYEBFF-UHFFFAOYSA-N
DG52162	N6-Benzyladenosine-5'-phosphate	318601	"[5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; N6-Benzyladenosine-5'-phosphate; 13484-66-7; [(2R,3R,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl ]methoxyphosphonic acid; NSC255523; SCHEMBL14700471; DTXSID40928774; N-Benzyl-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	255523	.	.	.	.	437.3	C17H20N5O7P	172	621	-1.4	30	5	11	7	"InChI=1S/C17H20N5O7P/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27)"	C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O	DWVANBHPEPSMOV-UHFFFAOYSA-N
DG52163	Hyrcanoside	318696	"Hyrcanoside; 15001-93-1; NSC256926; (3S,8R,9S,10S,13R,14S)-3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde; NSC-256926; CHEMBL1988412; DTXSID90933853; NCI60_002066; B627093K049; 3-[(4-o-hexopyranosylpentopyranosyl)oxy]-14-hydroxy-19-oxocarda-4,20(22)-dienolide; Carda-4, 3-[(4-O-.beta.-D-glucopyranosyl-.beta.-D-xylopyranosyl)oxy]-14-hydroxy-19-oxo-; Carda-4, 3-[(4-O-.beta.-D-glucopyranosyl-.beta.-D-xylopyranosyl)oxy]-14-hydroxy-19-oxo-, (3.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	256926	.	.	.	.	680.7	C34H48O14	222	1320	-2.1	48	7	14	7	"InChI=1S/C34H48O14/c1-32-7-5-20-21(34(32,43)9-6-19(32)16-10-24(37)44-13-16)3-2-17-11-18(4-8-33(17,20)15-36)46-30-28(41)26(39)23(14-45-30)48-31-29(42)27(40)25(38)22(12-35)47-31/h10-11,15,18-23,25-31,35,38-43H,2-9,12-14H2,1H3/t18-,19 ,20-,21+,22 ,23 ,25 ,26 ,27 ,28 ,29 ,30 ,31 ,32+,33+,34-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@]1(CCC2C4=CC(=O)OC4)O)CCC5=C[C@H](CC[C@]35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O	HFXNSSUZFCOFIY-JJRUEEJWSA-N
DG52164	"3,4,5-Tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile"	318768	"53862-54-7; NSC258168; 3,4,5-tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile; 2, 3,4,5-tris(phenylthio)-; DTXSID00312559; ZINC1557737; NSC-258168; DS-012642; 2,6-Pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	258168	.	.	.	.	453.6	C25H15N3S3	136	603	7.2	31	0	6	6	InChI=1S/C25H15N3S3/c26-16-21-23(29-18-10-4-1-5-11-18)25(31-20-14-8-3-9-15-20)24(22(17-27)28-21)30-19-12-6-2-7-13-19/h1-15H	C1=CC=C(C=C1)SC2=C(N=C(C(=C2SC3=CC=CC=C3)SC4=CC=CC=C4)C#N)C#N	MMEWWNCMPUGYOO-UHFFFAOYSA-N
DG52165	"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione"	318804	NSC258625; CHEMBL1987512; NSC-258625	.	.	Investigative Drug(s)	Investigative	Small molecular drug	258625	.	.	.	.	276.33	C16H20O4	52.6	499	3.1	20	0	4	0	"InChI=1S/C16H20O4/c1-10-8-15(19-12(10)17)6-5-7-16(14(15,3)4)9-11(2)13(18)20-16/h1-2,5-9H2,3-4H3"	CC1(C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2)C	MNOOTCTZYTWUSS-UHFFFAOYSA-N
DG52166	"Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene)amino]phenyl]-"	319089	"NSC260594; MLS000756593; SMR000528812; 906718-66-9; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl- 4(1H)-pyridinylidene)amino]phenyl]-; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene)amino]phenyl]-; Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)amino]-N-[4-[(1-methyl-4(1H)-pyridinylidene]amino]phenyl]-; cid_319089; CHEMBL1978479; SCHEMBL15538290; SCHEMBL17273901; BDBM53245; HMS2880J16; ZINC18057104; ZINC100367617; NSC-260594; 4-[(1-methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide; (Z)-4-((1-Methyl-6-nitroquinolin-4(1H)-ylidene)amino)-N-(4-((1-methylpyridin-4(1H)-ylidene)amino)phenyl)benzamide; 4-((1-Methyl-6-nitroquinolin-4(1H)-ylidene)amino)-N-(4-((1-methylpyridin-4(1H)-ylidene)amino)phenyl)benzamide; 4-[(1-methyl-6-nitro-4-quinolinylidene)amino]-N-[4-[(1-methyl-4-pyridinylidene)amino]phenyl]benzamide; 4-[(1-methyl-6-nitro-4-quinolylidene)amino]-N-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide; 4-[(1-methyl-6-nitro-quinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide; 4-[(E)-(1-methyl-6-nitro-4-quinolylidene)amino]-N-[4-[(1-methyl-4-pyridylidene)amino]phenyl]benzamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260594	.	.	.	.	504.5	C29H24N6O3	106	1010	4.4	38	1	7	4	"InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)"	CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1	SDVVSJQTYKFAFR-UHFFFAOYSA-N
DG52167	"N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine"	319095	"NSC260610; 67047-17-0; NSC 260610; NSC-260610; N,N'-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine; NCIMech_000771; CHEMBL1999887; SCHEMBL13856936; DTXSID50217323; N(1),N(6)-Bis(3-methoxy-9-acridinyl)-1,6-hexanediamine; CCG-35875; NCI60_002081; DS-002135; N,N-bis(3-methoxyacridin-9-yl)hexane-1,6-diamine; 1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-; N~1~,N~6~-Bis(3-methoxy-9-acridinyl)-1,6-hexanediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260610	.	.	.	.	530.7	C34H34N4O2	68.3	706	8.2	40	2	6	11	"InChI=1S/C34H34N4O2/c1-39-23-15-17-27-31(21-23)37-29-13-7-5-11-25(29)33(27)35-19-9-3-4-10-20-36-34-26-12-6-8-14-30(26)38-32-22-24(40-2)16-18-28(32)34/h5-8,11-18,21-22H,3-4,9-10,19-20H2,1-2H3,(H,35,37)(H,36,38)"	COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC	FLTPBXAPYZIIEV-UHFFFAOYSA-N
DG52168	"Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	319188	"NSC260922; CHEMBL1986639; ZINC401224; AKOS024325533; MCULE-6318466322; NSC-260922; NCI60_002085; 4-(4-BENZYLAMINO-BENZYLSULFANYL)-PHENOL; Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-; Phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	260922	.	.	.	.	321.4	C20H19NOS	57.6	316	5.1	23	2	3	6	"InChI=1S/C20H19NOS/c22-19-10-12-20(13-11-19)23-15-17-6-8-18(9-7-17)21-14-16-4-2-1-3-5-16/h1-13,21-22H,14-15H2"	C1=CC=C(C=C1)CNC2=CC=C(C=C2)CSC3=CC=C(C=C3)O	FBKLCZPXKYOIAC-UHFFFAOYSA-N
DG52169	(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile	319408	(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile; NSC263601; 32884-25-6; NSC 263601; SCHEMBL6035647; CHEMBL1976329; DTXSID20186537; ZINC1558459; NSC-263601; (2-benzyloxy-4-methoxyphenyl)acetonitrile; NCI60_002107; 2-(2-benzyloxy-4-methoxy-phenyl)acetonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263601	.	.	.	.	253.29	C16H15NO2	42.2	303	3	19	0	3	5	"InChI=1S/C16H15NO2/c1-18-15-8-7-14(9-10-17)16(11-15)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3"	COC1=CC(=C(C=C1)CC#N)OCC2=CC=CC=C2	GHQVMARKZDBYKZ-UHFFFAOYSA-N
DG52170	"4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-"	319428	"MLS002702109; 52218-08-3; NSC263637; CHEMBL1728761; SCHEMBL10817384; DTXSID10312848; NSC-263637; NCI60_002109; SMR001565677; DS-005344; 4H-[1]Benzopyrano[2, 2,3-dihydro-2-phenyl-; 4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	263637	.	.	.	.	276.29	C17H12N2O2	50.7	491	2.9	21	1	3	1	"InChI=1S/C17H12N2O2/c20-16-13-10-12-8-4-5-9-14(12)21-17(13)19-15(18-16)11-6-2-1-3-7-11/h1-10,15H,(H,18,20)"	C1=CC=C(C=C1)C2NC(=O)C3=CC4=CC=CC=C4OC3=N2	YHSNMJKVNPGZPI-UHFFFAOYSA-N
DG52171	"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine"	319592	"NSC264045; 4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine; 4,6-dichloro-[1,2,5]thiadiazolo[3,4-c]pyridine; 500896-83-3; CHEMBL1984106; ZINC1558658; NSC-264045; NCI60_002113; DB-071104; FT-0734857"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264045	.	.	.	.	206.05	C5HCl2N3S	66.9	159	2.6	11	0	4	0	InChI=1S/C5HCl2N3S/c6-3-1-2-4(5(7)8-3)10-11-9-2/h1H	C1=C(N=C(C2=NSN=C21)Cl)Cl	WAQHEBWTNUNSHC-UHFFFAOYSA-N
DG52172	Mexicanine E	319598	"Mexicanine E; MEXICANIN-E; NSC264054; CHEMBL2000938; DTXSID20974855; NSC-264054; NCI60_002114; 5-methyl-1-methylene-4,5,5a,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-2,8-dione; 8-Methyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione; Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.beta.,9a.alpha.)]-; Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.alpha.,9a.alpha.)]-; Azuleno[6,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3a.alpha.,4a.alpha.,7a.alpha.,8.beta.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264054	.	.	.	.	232.27	C14H16O3	43.4	435	2	17	0	3	0	"InChI=1S/C14H16O3/c1-7-5-13-10(8(2)14(16)17-13)6-11-9(7)3-4-12(11)15/h3-4,7,9-11,13H,2,5-6H2,1H3"	CC1CC2C(CC3C1C=CC3=O)C(=C)C(=O)O2	GQOWVFHMXITOCQ-UHFFFAOYSA-N
DG52173	1-Benzo[a]phenothiazin-12-yl-2-chloroethanone	319735	MLS003107250; NSC264938; CHEMBL1905686; ZINC1558828; NSC-264938; SMR001822124	.	.	Investigative Drug(s)	Investigative	Small molecular drug	264938	.	.	.	.	325.8	C18H12ClNOS	45.6	431	4.9	22	0	2	1	"InChI=1S/C18H12ClNOS/c19-11-17(21)20-14-7-3-4-8-15(14)22-16-10-9-12-5-1-2-6-13(12)18(16)20/h1-10H,11H2"	C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4S3)C(=O)CCl	PYOAVKHMCCKUIE-UHFFFAOYSA-N
DG52174	3-Phenyloxatriazol-3-ium-5-amine;chloride	319742	"NSC265204; 29185-33-9; CHEMBL2003176; DTXSID00312958; NSC-265204; 1,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265204	.	.	.	.	198.61	C7H7ClN4O	68.8	148	.	13	1	5	1	"InChI=1S/C7H7N4O.ClH/c8-7-9-11(10-12-7)6-4-2-1-3-5-6;/h1-5H,(H2,8,9,10);1H/q+1;/p-1"	C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-]	QYSDAYOVDDUVNM-UHFFFAOYSA-M
DG52175	Rhodirubin E	319748	"Rhodirubin E; NSC265211; NSC 265211; CHEMBL1997001; SCHEMBL22589743; NSC-265211; NCI60_002126; Replaced CAS registry number(s): 64256-11-7; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-,; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1.alpha.,2.beta.,4.beta.))-; 1-Naphthacenecarboxylic acid,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265211	.	.	.	.	845.9	C42H55NO17	261	1550	3	60	7	18	10	"InChI=1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16 ,17 ,18 ,21 ,24 ,25 ,26-,27 ,28 ,29 ,34-,35 ,39 ,40 ,42+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O	VJRAUFKOOPNFIQ-XAYJNONASA-N
DG52176	Nogalomycin C	319846	"NOGALOMYCIN C; NSC265450; MLS002702111; Neuro_000126; CHEMBL153078; NSC-265450; NCI60_002130; SMR001565679; U 51204; 2,2-b]oxocin-9,16-dione, 11-[(6- deoxy 3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-manno pyranosyl)oxy]-4-(dimethylamino)- 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy- 6,13-dimethyl-; 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-; dimethylamino-pentahydroxy-dimethyl-(3,4,5-trimethoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[ ]dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265450	.	.	.	.	729.8	C37H47NO14	203	1390	0.9	52	5	15	6	"InChI=1S/C37H47NO14/c1-14-31(46-7)37(4,48-9)32(47-8)34(49-14)50-19-13-35(2,45)12-15-10-16-21(26(41)20(15)19)27(42)22-18(39)11-17-29(23(22)25(16)40)51-33-28(43)24(38(5)6)30(44)36(17,3)52-33/h10-11,14,19,24,28,30-34,39,41,43-45H,12-13H2,1-9H3"	CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC	NNEGMXMRXKXKMQ-UHFFFAOYSA-N
DG52177	"1,2,3,10-Tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one"	319904	"NSC265959; 66262-74-6; DTXSID80313024; ZINC17061925; NSC-265959; 6H-Cyclopenta[c][1, 5,7,8,9-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	265959	.	.	.	.	236.27	C15H12N2O	42	415	1.9	18	1	2	0	"InChI=1S/C15H12N2O/c18-15-13-3-1-2-11(13)12-5-4-9-8-16-7-6-10(9)14(12)17-15/h4-8H,1-3H2,(H,17,18)"	C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=CN=C4	MXLQFLFNRRWURU-UHFFFAOYSA-N
DG52178	"(1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one"	319924	55164-60-8; MLS003107257; NSC266032; DTXSID70313033; NSC-266032	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266032	.	.	.	.	156.14	C7H8O4	70.1	235	-1.1	11	2	4	1	"InChI=1S/C7H8O4/c8-3-7-5(10)2-1-4(9)6(7)11-7/h1-2,5-6,8,10H,3H2/t5-,6-,7+/m0/s1"	C1=CC(=O)[C@H]2[C@@]([C@H]1O)(O2)CO	GAGWCYWDAZARDD-LYFYHCNISA-N
DG52179	NSC266186	320031	"(2R,6S,7S,8R,10S,11S,12R,14S,16R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-trideca-1,3-dienyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one; Huratoxin; NSC266186; NCI60_002140"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	266186	.	.	.	.	584.7	C34H48O8	118	1210	5.7	42	3	8	12	"InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/t23 ,24-,25-,27-,28+,29-,30-,31+,32-,33-,34 /m1/s1"	CCCCCCCCCC=CC=C[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H](C4(O1)C(C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO	VWGORPXMXKBHER-JROUCLGMSA-N
DG52180	Wln: L E6 C666 BV mvt&&&J DQ HQ H2 ivo1 OQ RQ FO-FT6otj B1 CQ DN1&1	320287	"NSC267229; CHEMBL1980284; SCHEMBL18593717; DTXSID40985362; NSC-267229; NCI60_002158; WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVO1 OQ RQ FO- FT6OTJ B1 CQ DN1&1; 1-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-; Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267229	.	.	.	.	585.6	C30H35NO11	183	1050	3.3	42	5	12	6	"InChI=1S/C30H35NO11/c1-6-30(39)11-18(42-19-10-15(31(3)4)25(34)12(2)41-19)20-13(24(30)29(38)40-5)9-14-21(27(20)36)28(37)23-17(33)8-7-16(32)22(23)26(14)35/h7-9,12,15,18-19,24-25,32-34,36,39H,6,10-11H2,1-5H3/t12 ,15 ,18-,19 ,24-,25 ,30+/m0/s1"	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O	ZJBMQVPEJHVSQA-KNYUDZPRSA-N
DG52181	"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol"	320303	"16368-83-5; NSC267319; 2,3-dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol; CHEMBL1972416; DTXSID50313197; ZINC5439167; NSC-267319; NCI60_002161"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267319	.	.	.	.	233.09	C10H10Cl2O2	40.5	190	3.8	14	2	2	0	"InChI=1S/C10H10Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h13-14H,1-4H2"	C1CCC2=C(C1)C(=C(C(=C2O)Cl)Cl)O	VLJRBJNOZLTGRU-UHFFFAOYSA-N
DG52182	Resibufogenin derivative	320371	"NSC267712; Resibufogenin derivative; NSC-267712; RESIBUFOGENIN, METHACRYLATE DERIV; NCI60_002167"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	267712	.	.	.	.	452.6	C28H36O5	65.099	979	5.3	33	0	5	4	"InChI=1S/C28H36O5/c1-16(2)25(30)32-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)22(14-23-28(21,27)33-23)17-5-8-24(29)31-15-17/h5,8,15,18-23H,1,6-7,9-14H2,2-4H3"	CC(=C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C	NBLRISMPFJBPGB-UHFFFAOYSA-N
DG52183	"N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide"	320647	"94037-48-6; NSC268907; CHEMBL2006541; DTXSID00313324; ZINC1559915; N-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide; NSC-268907; NCI60_002177; Benzenesulfonamide,6-diamino-1,3,5-triazin-2-yl)phenyl]-4-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	268907	.	.	.	.	387.4	C15H13N7O4S	191	605	1.3	27	3	10	4	"InChI=1S/C15H13N7O4S/c16-14-18-13(19-15(17)20-14)11-3-1-2-4-12(11)21-27(25,26)10-7-5-9(6-8-10)22(23)24/h1-8,21H,(H4,16,17,18,19,20)"	C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PPXBIGZLUXRESK-UHFFFAOYSA-N
DG52184	Scirpentriol	320696	"Scirpentriol; NSC269142; Scirpene-3,4,15-triol; ANGUIDINE DERIV SCIRPENTRIOL; BL 5731; 2270-41-9; Scirpene-3,15-triol; SCHEMBL23042154; NSC-269142; NCI60_002186; Trichothec-9-ene-3,15-triol, 12,13-epoxy-, (3.alpha.,4.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269142	.	.	.	.	282.33	C15H22O5	82.4	491	-1	20	3	5	1	"InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13-,14-,15-/m1/s1"	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO	PXEBOIUZEXXBGH-GTJZFRISSA-N
DG52185	7-O-Methylnogarol	320697	"MENOGARIL; NSC269148; 7-O-METHYLNOGAROL; 71628-96-1; 7-0-methylnogarol; SCHEMBL1651790; dimethylamino-pentahydroxy-methoxy-dimethyl-[ ]dione; 2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2R,3S,4R,5R,6R,11R,13R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269148	.	.	.	.	541.5	C28H31NO10	166	1020	0.8	39	5	11	2	"InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19-,23-,25+,26 ,27+,28 /m0/s1"	C[C@@]1(C[C@@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6([C@@H]([C@H]([C@@H](C(O5)O6)O)N(C)C)O)C)O)OC)O	LWYJUZBXGAFFLP-FEMZJCMLSA-N
DG52186	"Thalicberine, O-methyl"	320712	"THALICBERINE, O-METHYL; 19879-44-8; 10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene; (-)-O-Methylisothalicberine; CHEMBL2005418; NSC269189; NSC374609; STL565438; THALICBERINE,(-)-O-METHYLISO; AKOS037623529; MCULE-1397105564; NSC-269189; NSC-374609; NCI60_002192; 10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.1~7,11~.1~13,17~.1~23,27~.0~3,8~.0~21,35~]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaene (non-p"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269189	.	.	.	.	622.7	C38H42N2O6	61.9	979	6.7	46	0	8	4	"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3"	CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC	UUURWWVPMHAACP-UHFFFAOYSA-N
DG52187	8-Trichloromethyldihydroberberine	320713	"50932-22-4; NSC269192; dimethoxy(trichloromethyl)[ ]; CHEMBL396263; 8-Trichloromethyldihydroberberine; SCHEMBL12329060; DTXSID80313347; 8-Trichloromethyl-7,8-dihydroberberine; NSC-269192; 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8-dihydro-9,10-dimethoxy-8-(trichloromethyl)-; NCI60_002194; TRICHLOROMETHYLDIHYDROBERBRINE, 8-; 9,10-Dimethoxy-8-(trichloromethyl)-5,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269192	.	.	.	.	454.7	C21H18Cl3NO4	40.2	656	5.4	29	0	5	2	"InChI=1S/C21H18Cl3NO4/c1-26-15-4-3-12-7-14-13-9-17-16(28-10-29-17)8-11(13)5-6-25(14)20(21(22,23)24)18(12)19(15)27-2/h3-4,7-9,20H,5-6,10H2,1-2H3"	COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC	CAGHPRDTHLKFCW-UHFFFAOYSA-N
DG52188	3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate	320801	DTXSID20968855; NSC269719; NSC-269719; 3-Oxoestr-4-en-17-yl (2-chloroethyl)nitrosocarbamate	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269719	.	.	.	.	408.9	C21H29ClN2O4	76	696	3.5	28	0	5	4	"InChI=1S/C21H29ClN2O4/c1-21-9-8-16-15-5-3-14(25)12-13(15)2-4-17(16)18(21)6-7-19(21)28-20(26)24(23-27)11-10-22/h12,15-19H,2-11H2,1H3/t15-,16+,17+,18-,19-,21-/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CC[C@H]34	KTQUNVRSLAGBSY-RRFJAZBJSA-N
DG52189	NSC269720	320802	"[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate; NSC269720; 54025-21-7; DTXSID20313381; ZINC5440296; NSC-269720"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269720	.	.	.	.	425	C22H33ClN2O4	76	688	4.6	29	0	5	4	"InChI=1S/C22H33ClN2O4/c1-21-9-7-15(29-20(27)25(24-28)12-11-23)13-14(21)3-4-16-17-5-6-19(26)22(17,2)10-8-18(16)21/h14-18H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,21-,22-/m0/s1"	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)N(CCCl)N=O	FULFKXIGCUQZJE-WSKGSGNSSA-N
DG52190	NSC269721	320803	"[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate; NSC269721; 54025-35-3; DTXSID80313382; ZINC5440298; NSC-269721"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	269721	.	.	.	.	425	C22H33ClN2O4	76	688	4.5	29	0	5	4	"InChI=1S/C22H33ClN2O4/c1-21-9-7-15(26)13-14(21)3-4-16-17-5-6-19(22(17,2)10-8-18(16)21)29-20(27)25(24-28)12-11-23/h14,16-19H,3-13H2,1-2H3/t14-,16-,17-,18-,19-,21-,22-/m0/s1"	C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)N(CCCl)N=O)C	SALYBQYJYPDVQY-GRPBBMKTSA-N
DG52191	NSC270046	320908	"5-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(2-hydroxypropan-2-yl)oxan-3-ol; SAPELIN A; 26790-93-2; CHEMBL1992522; NSC270046; NSC-270046; NCI60_002203"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270046	.	.	.	.	474.7	C30H50O4	69.9	847	6.1	34	3	4	2	"InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-25,31-33H,9-17H2,1-7H3"	CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C)O)C	YHJGJKRPDMVIKU-UHFFFAOYSA-N
DG52192	Hydroxypristimerin	320914	Hydroxypristimerin; NSC270057; 73246-54-5; HYDROXY-PRISTIMERIN; CHEMBL1985284; DTXSID40313429; NSC-270057; NCI60_002205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270057	.	.	.	.	480.6	C30H40O5	83.8	1160	5.7	35	2	5	2	"InChI=1S/C30H40O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)11-13-30(6)22-15-28(4,25(34)35-7)23(32)16-26(22,2)10-12-29(21,30)5/h8-9,14,22-23,32-33H,10-13,15-16H2,1-7H3"	CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(C5)O)(C)C(=O)OC)C)C)C)C)O	HDIIUCVOZICRAQ-UHFFFAOYSA-N
DG52193	"4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	321194	"NSC270737; MLS000756607; 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine; 2-(3-(Hydroxy(oxido)amino)phenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine; 315697-39-3; NSC-270737; CHEMBL1412519; HMS2886I04; AKOS001484372; MCULE-3901448450; NCI60_002215; SMR000528819; F1031-0001; 2-(3-nitrophenyl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine; 2-(3-nitrophenyl)-4-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270737	.	.	.	.	374.5	C22H18N2O2S	83.5	553	5.3	27	0	4	2	"InChI=1S/C22H18N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,22H,14H2,1H3"	CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]	PFFYFNYHJJAZOY-UHFFFAOYSA-N
DG52194	"2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	321195	"60246-87-9; 2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine; NSC270738; MLS000756608; CHEMBL1594358; NSC 270738; SCHEMBL20797920; BDBM91643; BDBM50004696; Dihydro-1,5-benzothiazepine analog, 5; MCULE-3135577509; NSC-270738; NCGC00246778-01; SMR000528820; 2,3-Dihydro-2-(4-nitrophenyl)-4-phenyl-1,5-benzothiazepine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	270738	.	.	.	.	360.4	C21H16N2O2S	83.5	519	4.9	26	0	4	2	"InChI=1S/C21H16N2O2S/c24-23(25)17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-20(18)26-21/h1-13,21H,14H2"	C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]	HCOVSUWQMKZWAW-UHFFFAOYSA-N
DG52195	"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol"	321301	NSC271271; 71007-75-5; CHEMBL1999358; DTXSID30313514; ZINC1561008; NSC-271271	.	.	Investigative Drug(s)	Investigative	Small molecular drug	271271	.	.	.	.	351.4	C19H17N3O4	93.1	506	3.8	26	1	5	2	"InChI=1S/C19H17N3O4/c1-26-18-9-12-3-2-4-13-11-20-21(19(13)16(12)10-17(18)23)14-5-7-15(8-6-14)22(24)25/h5-11,23H,2-4H2,1H3"	COC1=C(C=C2C(=C1)CCCC3=C2N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])O	JRBOEBVEVHDCDD-UHFFFAOYSA-N
DG52196	"ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate"	321836	"NSC275971; MLS000756615; CHEMBL1448356; SCHEMBL15413328; ZINC1562588; ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate; NSC-275971; SMR000528824; Ethyl 2-((4-chlorophenyl)thio)-1,3-benzothiazol-6-ylcarbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	275971	.	.	.	.	364.9	C16H13ClN2O2S2	105	408	5.4	23	1	5	5	"InChI=1S/C16H13ClN2O2S2/c1-2-21-15(20)18-11-5-8-13-14(9-11)23-16(19-13)22-12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H,18,20)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)Cl	AMNADWIXFLTXEV-UHFFFAOYSA-N
DG52197	"[1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate"	321869	"64618-57-1; NSC276361; CHEMBL1966756; DTXSID30313736; ZINC1562624; NSC-276361; [1-(4-butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002247; 1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester); 1H-Pyrrole-3, 1-(4-butylphenyl)-2,5-dimethyl-,bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276361	.	.	.	.	401.5	C22H31N3O4	81.6	490	4	29	2	4	10	"InChI=1S/C22H31N3O4/c1-6-7-8-17-9-11-18(12-10-17)25-15(2)19(13-28-21(26)23-4)20(16(25)3)14-29-22(27)24-5/h9-12H,6-8,13-14H2,1-5H3,(H,23,26)(H,24,27)"	CCCCC1=CC=C(C=C1)N2C(=C(C(=C2C)COC(=O)NC)COC(=O)NC)C	OJPMBLRAELYHST-UHFFFAOYSA-N
DG52198	"[1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate"	321870	"64618-26-4; NSC276362; CHEMBL1967157; DTXSID90313737; ZINC1562625; NSC-276362; [1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002248; 1H-Pyrrole-3, 1-(4-bromophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276362	.	.	.	.	424.3	C18H22BrN3O4	81.6	453	2.8	26	2	4	7	"InChI=1S/C18H22BrN3O4/c1-11-15(9-25-17(23)20-3)16(10-26-18(24)21-4)12(2)22(11)14-7-5-13(19)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23)(H,21,24)"	CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)COC(=O)NC)COC(=O)NC	NOXVZSNBOAHZRU-UHFFFAOYSA-N
DG52199	"Formamide,3-dimethyl-1-triazenyl)phenyl]-"	321881	"NSC276376; 2313-85-1; CHEMBL1979203; ZINC18010728; ZINC104193274; NSC-276376; NCI60_002250; Formamide,3-dimethyl-1-triazenyl)phenyl]-; 5219-26-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	276376	.	.	.	.	192.22	C9H12N4O	57.1	197	1.8	14	1	4	3	"InChI=1S/C9H12N4O/c1-13(2)12-11-9-5-3-8(4-6-9)10-7-14/h3-7H,1-2H3,(H,10,14)"	CN(C)N=NC1=CC=C(C=C1)NC=O	JYMLVQVXQJFHRZ-UHFFFAOYSA-N
DG52200	Cinnamodial B812927K060	321973	NSC277293; CINNAMODIAL B812927K060; CHEMBL1988492; NCI60_002257	.	.	Investigative Drug(s)	Investigative	Small molecular drug	277293	.	.	.	.	308.4	C17H24O5	80.7	535	2.3	22	1	5	4	"InChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3"	CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O	UKLMEFSRPRDOLD-UHFFFAOYSA-N
DG52201	Toxin HT 2	322238	"HT-2 Toxin; HT 2 Toxin; Toxin HT 2; T-2, Toxin analog; 26934-87-2; TOXIN HT2; CHEMBL1996430; ZINC4081735; NSC278571; NSC-278571; NCI60_002267; C19952; Trichothec-9-ene-3.alpha.,8.alpha.,15-tetrol, 12,13-epoxy-, 15-acetate 8-isovalerate; Trichothec-9-ene-3.alpha.,8.alpha.,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate; Trichothen-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate); Trichothec-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15 acetate 8-(3-methylbutanoate), (3.alpha.,4a.beta.,8.alpha.)-; Trichothec-9-ene-3,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3.alpha.,4.beta.,8.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	278571	.	.	.	.	424.5	C22H32O8	115	777	0.4	30	2	8	7	"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+/m0/s1"	CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C	PNKLMTPXERFKEN-ZIOSACBISA-N
DG52202	"Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate"	322357	"NSC-279503; Neuro_000141; CHEMBL1979791; DTXSID20973202; NSC279503; NCI60_002273; Methyl 1,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate; Picras-3-en-21-oic acid,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1.beta.,11.beta.,12.alpha.,15.beta.)-; Picras-4-en-21-oic acid,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	279503	.	.	.	.	522.5	C26H34O11	166	1080	0.3	37	3	11	6	"InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3"	CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O	NTBOLWMPXFGUHO-UHFFFAOYSA-N
DG52203	2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate	322463	"NSC280074; CHEMBL2001854; ZINC73371371; ZINC104145084; NSC-280074; NCI60_002278; 2-[N-(2-methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate; Ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280074	.	.	.	.	629.8	C29H31N3O7S3	170	988	4.4	42	0	11	15	"InChI=1S/C29H31N3O7S3/c1-41(33,34)38-18-16-32(17-19-39-42(2,35)36)26-14-8-23(9-15-26)20-30-25-12-10-24(11-13-25)28-22-40-29(31-28)21-37-27-6-4-3-5-7-27/h3-15,20,22H,16-19,21H2,1-2H3"	CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4	XLLDEPOMEUPDBU-UHFFFAOYSA-N
DG52204	"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone"	322770	"72848-60-3; NSC280893; 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone; NSC 280893; CHEMBL1994793; NSC-280893; DS-003932; 2-bromo-2-(p-tolylsulfonylmethyl)tetralin-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	280893	.	.	.	.	393.3	C18H17BrO3S	59.6	545	4	23	0	3	3	"InChI=1S/C18H17BrO3S/c1-13-6-8-15(9-7-13)23(21,22)12-18(19)11-10-14-4-2-3-5-16(14)17(18)20/h2-9H,10-12H2,1H3"	CC1=CC=C(C=C1)S(=O)(=O)CC2(CCC3=CC=CC=C3C2=O)Br	HLFWFYVMWBSMLM-UHFFFAOYSA-N
DG52205	"N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester"	322919	"MLS000756633; NSC281383; ethyl N-[2-(azepan-1-yl)-1,3-benzothiazol-6-yl]carbamate; SMR000528832; N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester; cid_322919; CHEMBL1405940; BDBM76585; CHEBI:112424; HMS2884P07; ZINC1563973; NSC-281383; Ethyl 2-(1-azepanyl)-1,3-benzothiazol-6-ylcarbamate; Q27192528; N-[2-(azepan-1-yl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281383	.	.	.	.	319.4	C16H21N3O2S	82.7	374	4	22	1	5	4	"InChI=1S/C16H21N3O2S/c1-2-21-16(20)17-12-7-8-13-14(11-12)22-15(18-13)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,17,20)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3	ULJXJASKIKRWKU-UHFFFAOYSA-N
DG52206	Dimethane sulfonate	322931	"Dimethane sulfonate; UNII-96B0BRI1JU; 56967-08-9; NSC-281612; 96B0BRI1JU; Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-methyl-; Benzaldehyde, 4-(bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methyl-; DMS612; DMS 612; DMS-612; NSC281612; NSC 281612; SCHEMBL1298904; CHEMBL1992975; DTXSID60205539; ZINC1563988; NCI60_002292; Q27271898; 4-[bis[2-[(methylsulfonyl)-oxy]ethyl]amino]-2-methyl-benzaldehyde"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281612	.	.	.	.	379.5	C14H21NO7S2	124	554	0.7	24	0	8	10	"InChI=1S/C14H21NO7S2/c1-12-10-14(5-4-13(12)11-16)15(6-8-21-23(2,17)18)7-9-22-24(3,19)20/h4-5,10-11H,6-9H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=O	CQVKMVQRSNNAGO-UHFFFAOYSA-N
DG52207	"Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	322932	"NSC281613; CHEMBL1992039; ZINC82190406; ZINC150384785; CCG-102479; NSC-281613; NCI60_002293; Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281613	.	.	.	.	648.2	C29H30ClN3O6S3	160	1040	5.5	42	0	10	13	"InChI=1S/C29H30ClN3O6S3/c1-21-17-25(33(13-15-38-41(2,34)35)14-16-39-42(3,36)37)11-9-23(21)19-31-24-10-12-26(27(30)18-24)28-20-40-29(32-28)22-7-5-4-6-8-22/h4-12,17-20H,13-16H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)Cl	NKYUHUFTMFORQF-UHFFFAOYSA-N
DG52208	NSC281617	322935	"2-[4-[(E)-[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; NSC281617; CHEMBL1988942; ZINC82186278; ZINC150384786; NSC-281617; NCI60_002295; 2-[4-[(E)-[4-(2-benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate; Ethanol, 2,2'[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester); Ethanol,2'[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethyl)-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281617	.	.	.	.	641.8	C31H35N3O6S3	160	1040	5.6	43	0	10	14	"InChI=1S/C31H35N3O6S3/c1-23-20-29(34(16-18-39-42(3,35)36)17-19-40-43(4,37)38)15-12-27(23)22-32-28-13-10-26(11-14-28)31-24(2)41-30(33-31)21-25-8-6-5-7-9-25/h5-15,20,22H,16-19,21H2,1-4H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C	PCMRUMCRHVAFDB-UHFFFAOYSA-N
DG52209	Prima-1	322968	"prima-1; 5608-24-2; NSC281668; NSC-281668; 2,2-Bis(hydroxymethyl)-3-quinuclidinone; PRIMA 1; 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one; PRIMA1; 2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one; UNII-GHC34M30BG; GHC34M30BG; 2,2-bis(hydroxymethyl)quinuclidin-3-one; MLS003115529; SR-01000597545; NSC 281668; Tocris-1862; PRIMA 1;PRIMA1; NCIStruc1_000254; NCIStruc2_000301; BSPBio_001426; KBioGR_000146; KBioSS_000146; SCHEMBL821037; CHEMBL186872; 2,2-Bishydroxymethyl-1-aza-bicyclo[2.2.2]octan-3-one; CHEBI:94995; KBio2_000146; KBio2_002714; KBio2_005282; KBio3_000291; KBio3_000292; DTXSID50204637; Bio2_000146; Bio2_000626; GR333; HMS1361H08; HMS1791H08; HMS1989H08; HMS3268K18; HMS3402H08; HMS3412L12; HMS3649I15; HMS3676L12; BCP26191; EX-A2742; 1997AH; CCG-38318; HY-19980A; MFCD04974196; MFCD19199989; NCGC00014637; NCI281668; ZINC55669662; 2,2bis(hydroxymethyl)-3quinuclidinone; 2-Bis(hydroxymethyl)-3-quinuclidinone; AKOS006292956; CCG-266469; CS-5886; 3-Quinuclidinone,2-bis(hydroxymethyl)-; IDI1_033896; NCGC00014637-02; NCGC00014637-03; NCGC00014637-04; NCGC00014637-05; NCGC00014637-06; NCGC00014637-07; NCGC00025313-01; NCGC00025313-02; NCGC00025313-03; NCGC00025313-04; NCGC00025313-05; NCGC00097740-01; PRIMA-1, >=98% (HPLC), solid; AC-32663; BS-17245; NCI60_002297; SMR001831104; S7723; C75635; SR-01000597545-1; SR-01000597545-3; Q27166756; 1-Azabicyclo[2.2.2]octan-3-one,2-bis(hydroxymethyl)-; 2,2-Bis(Hydroxymethyl)-3-Quinuclidinone; 2,2-Dimethylolquinuclidin-3-One"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281668	.	.	.	.	185.22	C9H15NO3	60.8	217	-0.6	13	2	4	2	"InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2"	C1CN2CCC1C(=O)C2(CO)CO	RFBVBRVVOPAAFS-UHFFFAOYSA-N
DG52210	"Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	323078	"CHEMBL1998378; NSC281817; ZINC82195604; ZINC150390133; NSC-281817; NCI60_002301; Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281817	.	.	.	.	692.7	C29H30BrN3O6S3	160	1030	5.6	42	0	10	13	"InChI=1S/C29H30BrN3O6S3/c1-21-18-27(33(14-16-38-41(2,34)35)15-17-39-42(3,36)37)13-8-24(21)19-31-26-11-6-22(7-12-26)28-20-40-29(32-28)23-4-9-25(30)10-5-23/h4-13,18-20H,14-17H2,1-3H3"	CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Br	KBRGCCAKPJPXER-UHFFFAOYSA-N
DG52211	"Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	323079	"NSC281818; CHEMBL1985380; ZINC82186114; ZINC150390137; NSC-281818; NCI60_002302; Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281818	.	.	.	.	671.9	C32H37N3O7S3	170	1070	5.8	45	0	11	16	"InChI=1S/C32H37N3O7S3/c1-5-18-40-30-14-9-26(10-15-30)32-34-31(23-43-32)25-6-11-28(12-7-25)33-22-27-8-13-29(21-24(27)2)35(16-19-41-44(3,36)37)17-20-42-45(4,38)39/h6-15,21-23H,5,16-20H2,1-4H3"	CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N=CC4=C(C=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C	NBULMAMEEBHKSZ-UHFFFAOYSA-N
DG52212	Ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate	323109	"60521-72-4; Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate); NSC281929; ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate; CHEMBL1971536; DTXSID40314299; ZINC1564252; AKOS004900792; NSC-281929; NCI60_002305; 3,3'-(1,3-Phenylene)bis(propynoic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	281929	.	.	.	.	270.28	C16H14O4	52.6	436	3.5	20	0	4	6	"InChI=1S/C16H14O4/c1-3-19-15(17)10-8-13-6-5-7-14(12-13)9-11-16(18)20-4-2/h5-7,12H,3-4H2,1-2H3"	CCOC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OCC	RZFLPKWJWSIJBL-UHFFFAOYSA-N
DG52213	2-Amino-5-methylbenzenethiol	323260	"2-amino-5-methylbenzenethiol; 23451-96-9; Benzenethiol, 2-amino-5-methyl-; 2-amino-5-methylthiophenol; 2-amino-5-methyl-benzenethiol; 5-Methyl-2-aminobenzenethiol; Thiotoluidin; 2-aminobenzothiol; NSC282150; 2-amino-5-methylbenzenthiol; 2-azanyl-5-methyl-benzenethiol; SCHEMBL1983476; CHEMBL1971557; 2-amino-5-methylbenzene-1-thiol; DTXSID30314369; ZINC1564425; MFCD11869010; STL355323; AKOS005062059; AS-6467; AT19639; MCULE-7146736809; NSC-282150; BENZENETHIOL,2-AMINO-5-METHYL-; NCI60_002313; DB-027781; AM20030406; FT-0648900; 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N.1; A816727; doi:10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N.1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282150	.	.	.	.	139.22	C7H9NS	27	94.9	1.5	9	2	2	0	"InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3"	CC1=CC(=C(C=C1)N)S	VUMZNLOQJGKGNE-UHFFFAOYSA-N
DG52214	Carnosol O-quinone	323275	"CARNOSOL O-QUINONE; NSC282173; isopropyl(dimethyl)[ ]trione; CHEMBL2004824; NSC-282173; NCI60_002315; 2H-9,4a-(Epoxymethano)phenanthrene-5,6,12-trione, 1,3,4,9,10,10a-hexahydro-1,1-dimethyl-7-(1-methylethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282173	.	.	.	.	328.4	C20H24O4	60.4	737	3.1	24	0	4	1	"InChI=1S/C20H24O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14H,5-7,9H2,1-4H3"	CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C	MWAYCDXOVYWQPR-UHFFFAOYSA-N
DG52215	"Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-"	323364	"MLS003115551; 71856-94-5; NSC282885; CHEMBL1881977; SCHEMBL10742491; SCHEMBL16749034; DTXSID90314421; NSC-282885; SMR001831125; Acetamide,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-; Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-; N-[3-(3,4-dichlorophenyl)-1-(4-hydroxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)propyl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	282885	.	.	.	.	366.2	C18H17Cl2NO3	66.4	583	3.7	24	2	3	5	"InChI=1S/C18H17Cl2NO3/c1-11(22)21-16(13-3-2-4-17(23)18(24)10-13)8-6-12-5-7-14(19)15(20)9-12/h2-5,7,9-10,16H,6,8H2,1H3,(H,21,22)(H,23,24)"	CC(=O)NC(CCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=O)C(=CC=C2)O	MIGSPHGJQIIJCX-UHFFFAOYSA-N
DG52216	2-chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide	323387	"58867-63-3; Acetamide,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)bis(methylene)]bis(2-chloro-; Acetamide,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)bis(methylene)]bis[2-chloro-; NSC283168; DTXSID70314429; NSC-283168; 2-chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide; DS-006231; Acetamide, n, n-[(5-methoxy-2-methyl-1h-indole-4, 6-diyl)bis(methylene)]bis(2-chloro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	283168	.	.	.	.	372.2	C16H19Cl2N3O3	83.2	452	1.9	24	3	3	7	"InChI=1S/C16H19Cl2N3O3/c1-9-3-11-12(8-20-15(23)6-18)16(24-2)10(4-13(11)21-9)7-19-14(22)5-17/h3-4,21H,5-8H2,1-2H3,(H,19,22)(H,20,23)"	CC1=CC2=C(N1)C=C(C(=C2CNC(=O)CCl)OC)CNC(=O)CCl	QVTSJELDLWBNSP-UHFFFAOYSA-N
DG52217	Benzenebismaleimide adduct	323533	"Mitindomide; Benzenebismaleimide adduct; NSC284356; 10403-51-7; NSC 284356; NSC-284356; CHEMBL65841; SCHEMBL19411825; Tricyclo(4.2.2.0(sup 2,5))-dec-9-ene-3,4,7,8-tetracarboxylic(3,4,:7,8)diimide; CCG-35685; NSC378692; NSC-378692; NCI60_002331; Tricyclo[4.2.2.02,4,7,8-tetracarboxylic[3,4:7,8]diimide; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)tetrone, octahydro-; 5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone; Octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-1,3,5,7-tetrone; Tricyclo(4.2.2.0(2,5))dec-9-ene-3,4,7,8-tetracarboxylic(3,4:7,8)diimide; (3a.alpha.,3b.beta.,4.alpha.,4a.beta.,7a.beta.,8.alpha.,8a.beta.,8b.alpha.)-3a,3b,4,4a,7a,8,8a,8b-Octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)tetrone; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-; 4,8-Ethenopyrrolo(3',4':3,4)cyclobut(1,2-f)isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284356	.	.	.	.	272.26	C14H12N2O4	92.3	587	-1.4	20	2	4	0	"InChI=1S/C14H12N2O4/c17-11-7-3-1-2-4(8(7)12(18)15-11)6-5(3)9-10(6)14(20)16-13(9)19/h1-10H,(H,15,17,18)(H,16,19,20)"	C1=CC2C3C(C1C4C2C(=O)NC4=O)C5C3C(=O)NC5=O	DRCJGCOYHLTVNR-UHFFFAOYSA-N
DG52218	"8-Chloroadenosine 3',5'-cyclic-monophosphate"	323587	"NSC284751; NSC-284751; 8-Chloroadenosine 3',5'-cyclic-monophosphate; CHEMBL309775; SCHEMBL1651488; NCGC00485288-01; NCI60_002333; NCI60_004931; 8-Chloroadenosine 3',5'-cyclic-monophosphate, >=85%"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	284751	.	.	.	.	363.65	C10H11ClN5O6P	155	532	-1.6	23	3	10	1	"InChI=1S/C10H11ClN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)"	C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O	CLLFEJLEDNXZNR-UHFFFAOYSA-N
DG52219	Lapachol glucoside tetraacetate	323592	"57093-27-3; NSC285109; Lapachol glucoside tetraacetate; SCHEMBL13402793; DTXSID90972560; NSC-285109; 1, 2-(3-methyl-2-butenyl)-3-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-; 3-(3-Methylbut-2-en-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetylhexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285109	.	.	.	.	572.6	C29H32O12	158	1130	3.2	41	0	12	13	"InChI=1S/C29H32O12/c1-14(2)11-12-21-23(34)19-9-7-8-10-20(19)24(35)25(21)41-29-28(39-18(6)33)27(38-17(5)32)26(37-16(4)31)22(40-29)13-36-15(3)30/h7-11,22,26-29H,12-13H2,1-6H3"	CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C	FMNSNVSJQBSOAM-UHFFFAOYSA-N
DG52220	Neothramycin A and neothramycin B	323607	"NSC285223; CHEMBL1986702; Neothramycin A and neothramycin B; NSC-285223; NCI60_002336; 5H-Pyrrolo[2,4]benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, mixt. wtih 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285223	.	.	.	.	524.5	C26H28N4O8	165	400	.	38	4	10	2	"InChI=1S/2C13H14N2O4/c2*1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h2*4-7,12,16-17H,2-3H2,1H3/t7-,12+;7-,12-/m00/s1"	COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@H]3O)C=N2)O.COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC[C@@H]3O)C=N2)O	DOZXCNCPKXGGBC-VKKUPAEUSA-N
DG52221	"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone"	323616	"MLS000757112; SMR000528879; NSC285233; cid_323616; 2,5-dichloro-3,6-bis-propionylamino-[1,4]benzoquinone; CHEMBL1446929; BDBM47823; ZINC1865671; NSC-285233; N-[2,5-dichloro-3,6-dioxo-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide; 109018-79-3; N-(2,5-dichloro-3,6-diketo-4-propionamido-cyclohexa-1,4-dien-1-yl)propionamide; N-[2,5-dichloro-3,6-dioxo-4-(1-oxopropylamino)-1-cyclohexa-1,4-dienyl]propanamide; N-[2,5-bis(chloranyl)-3,6-bis(oxidanylidene)-4-(propanoylamino)cyclohexa-1,4-dien-1-yl]propanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285233	.	.	.	.	319.14	C12H12Cl2N2O4	92.3	514	1.4	20	2	4	4	"InChI=1S/C12H12Cl2N2O4/c1-3-5(17)15-9-7(13)12(20)10(8(14)11(9)19)16-6(18)4-2/h3-4H2,1-2H3,(H,15,17)(H,16,18)"	CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl	KKSCCSVQHNQDBX-UHFFFAOYSA-N
DG52222	Enmein-3-acetate	323628	NSC285658; 7122-00-1; ENMEIN-3-ACETATE; DTXSID00314553; NSC-285658; NCI60_002338	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285658	.	.	.	.	404.5	C22H28O7	99.1	831	2.4	29	1	7	2	"InChI=1S/C22H28O7/c1-10-12-5-6-13-21(8-12,17(10)24)19(26)29-15-7-14(28-11(2)23)20(3,4)16-18(25)27-9-22(13,15)16/h12-16,18,25H,1,5-9H2,2-4H3/t12 ,13 ,14-,15-,16+,18+,21 ,22 /m1/s1"	CC(=O)O[C@@H]1C[C@@H]2C3(CO[C@@H]([C@H]3C1(C)C)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2	MWJMINDXYBAFMN-CIRVQHMCSA-N
DG52223	"Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester"	323649	"MLS003115565; 69123-49-5; NSC285689; SCHEMBL4915635; CHEMBL1899210; DTXSID90314562; ZINC1865747; NSC-285689; SMR001831138; DS-007173; 4-(3-[1,3,4]thiadiazol-2-yl-ureido)-benzoic acid ethyl ester; Benzoic acid,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester; Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]amino]-, ethyl ester; BENZOIC ACID,4-[[(1,3,4-THIADIAZOL-2-YLAMINO)CARBONYL]AMINO]-, ETHYL ESTER"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	285689	.	.	.	.	292.32	C12H12N4O3S	121	348	1.5	20	2	6	5	"InChI=1S/C12H12N4O3S/c1-2-19-10(17)8-3-5-9(6-4-8)14-11(18)15-12-16-13-7-20-12/h3-7H,2H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2	HQRBNMAPONQOJI-UHFFFAOYSA-N
DG52224	"6-Chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one"	323667	"NSC286122; CHEMBL1968771; NSC-286122; NCI60_002343; 6-chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one; Spiro[4H-1-benzopyran-4,2'(5'H)-furan]-5'-one, 6-chloro-2,3,3',4'-tetrahydro-4'-methylene-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286122	.	.	.	.	250.68	C13H11ClO3	35.5	368	2.8	17	0	3	0	"InChI=1S/C13H11ClO3/c1-8-7-13(17-12(8)15)4-5-16-11-3-2-9(14)6-10(11)13/h2-3,6H,1,4-5,7H2"	C=C1CC2(CCOC3=C2C=C(C=C3)Cl)OC1=O	CTSKKPHXSRUMRY-UHFFFAOYSA-N
DG52225	"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate"	323672	NSC286136; SCHEMBL13402815; NSC-286136	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286136	.	.	.	.	613.4	C27H26Cl2O12	158	1140	3.4	41	0	12	13	"InChI=1S/C27H26Cl2O12/c1-12(30)36-11-19-24(37-13(2)31)25(38-14(3)32)26(39-15(4)33)27(40-19)41-23-18(9-10-20(28)29)21(34)16-7-5-6-8-17(16)22(23)35/h5-8,10,19,24-27H,9,11H2,1-4H3"	CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=O)C3=CC=CC=C3C2=O)CC=C(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C	YDEPCCXLMFQLMY-UHFFFAOYSA-N
DG52226	2-beta-D-Ribofuranosyl-4-thiazolecarboxamide	323701	"MLS003389320; 92952-40-4; 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; NSC286193; NSC 286193; 2-.beta.-D-Ribofuranosyl-4-thiazolecarboxamide; 2-.beta.-D-Ribofuranosylthiazole-4-carboxamide; 4-Thiazolecarboxamide, 2-.beta.-D-ribofuranosyl-; 2-beta-D-Ribofuranosyl-4-thiazolecarboxamide; 92952-33-5; CHEMBL276286; SCHEMBL1651851; BCP30734; NSC367734; NSC367735; NSC367920; NSC381855; Riboxamide; TCAR pound>>Tiazofurinum; NSC-367734; NSC-367735; NSC-367920; NSC-381855; LS-13643; NCI60_002347; SMR002048975; FT-0675221; MLS003389320-02"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	286193	.	.	.	.	260.269	C9H12N2O5S	154	305	-1.7	17	4	7	3	"InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)"	C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N	FVRDYQYEVDDKCR-UHFFFAOYSA-N
DG52227	"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile"	324275	NSC289117; NSC-289117	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289117	.	.	.	.	335.32	C14H17N5O5	160	501	-1	24	4	9	4	"InChI=1S/C14H17N5O5/c1-2-23-13-6(3-15)8-11(16)17-5-18-12(8)19(13)14-10(22)9(21)7(4-20)24-14/h5,7,9-10,14,20-22H,2,4H2,1H3,(H2,16,17,18)"	CCOC1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N	RLXGZFZDCXKEDV-UHFFFAOYSA-N
DG52228	"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid"	324451	"13484-67-8; [5-[6-(2-furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid; NSC289900; DTXSID50314927; NSC-289900; [5-[6-(furan-2-ylmethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; Kinetin riboside-5'-monophosphate sodium salt; N-[(Furan-2-yl)methyl]-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289900	.	.	.	.	427.31	C15H18N5O8P	185	613	-2.3	29	5	12	7	"InChI=1S/C15H18N5O8P/c21-11-9(5-27-29(23,24)25)28-15(12(11)22)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-26-8/h1-3,6-7,9,11-12,15,21-22H,4-5H2,(H,16,17,18)(H2,23,24,25)"	C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O	WDFCXEWULSQTFC-UHFFFAOYSA-N
DG52229	1-Galactopyranosyl-5-fluorouracil	324452	MLS003389321; 17242-88-5; 1-galactopyranosyl-5-fluorouracil; NSC289901; CHEMBL1977258; DTXSID10314928; NSC-289901; NCI60_002379; SMR002048976	.	.	Investigative Drug(s)	Investigative	Small molecular drug	289901	.	.	.	.	292.22	C10H13FN2O7	140	457	-2.3	20	5	8	2	"InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)"	C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F	YHWGRVDTEORPPJ-UHFFFAOYSA-N
DG52230	Ivalbatin acetate	324500	"IVALBATIN ACETATE; NSC290136; 37163-91-0; Ivalbin acetate; CHEMBL1997467; DTXSID10958366; 6-Methyl-3-methylene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate; NSC-290136; NCI60_002382; [6-methyl-3-methylene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate; 6-Methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290136	.	.	.	.	306.4	C17H22O5	69.7	545	1.4	22	0	5	5	"InChI=1S/C17H22O5/c1-9(18)5-6-13-7-16-14(11(3)17(20)22-16)8-15(10(13)2)21-12(4)19/h7,10,14-16H,3,5-6,8H2,1-2,4H3"	CC1C(CC2C(C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C	HDGJZUYCLFNJBX-UHFFFAOYSA-N
DG52231	"N-[2-[[4,5-dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	324540	"NSC290511; CHEMBL2003550; NSC-290511; NCI60_002385; 4,6-Dideoxy-4-((((14-methylpentadecanoyl)amino)acetyl)amino)-N-(9-methyl-9H-purin-6-yl)hexopyranosylamine; N-[2-[[4,5-dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]tetrahydropyran-3-yl]amino]-2-oxo-ethyl]-14-methyl-pentadecanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290511	.	.	.	.	589.8	C30H51N7O5	164	806	5.1	42	5	9	18	"InChI=1S/C30H51N7O5/c1-20(2)15-13-11-9-7-5-6-8-10-12-14-16-22(38)31-17-23(39)35-24-21(3)42-30(27(41)26(24)40)36-28-25-29(33-18-32-28)37(4)19-34-25/h18-21,24,26-27,30,40-41H,5-17H2,1-4H3,(H,31,38)(H,35,39)(H,32,33,36)"	CC1C(C(C(C(O1)NC2=C3C(=NC=N2)N(C=N3)C)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C	BYVJEJAJTFHTPY-UHFFFAOYSA-N
DG52232	"N-[2-dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide"	324686	"76235-28-4; NSC290806; CHEMBL1970595; DTXSID60314993; NSC-290806; N-[2-dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; NCI60_002387; 2-(ACETYLAMINO)-2-DEOXY-1-THIO-.BETA.-D-GLUCOPYRANOSE, 1-(DIMETHYLARSINITE)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	290806	.	.	.	.	341.26	C10H20AsNO5S	124	293	.	18	4	6	4	"InChI=1S/C10H20AsNO5S/c1-5(14)12-7-9(16)8(15)6(4-13)17-10(7)18-11(2)3/h6-10,13,15-16H,4H2,1-3H3,(H,12,14)"	CC(=O)NC1C(C(C(OC1S[As](C)C)CO)O)O	KLFSMWAVZVWSJT-UHFFFAOYSA-N
DG52233	Streptonigrin analog (etnh)	324770	CHEMBL4740853; NSC291094; STREPTONIGRIN ANALOG (ETNH); ZINC5385803; BDBM50548273; NSC-291094	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291094	.	.	.	.	202.21	C11H10N2O2	59.1	323	1.3	15	1	4	2	"InChI=1S/C11H10N2O2/c1-2-12-8-6-9(14)10-7(11(8)15)4-3-5-13-10/h3-6,12H,2H2,1H3"	CCNC1=CC(=O)C2=C(C1=O)C=CC=N2	VWEKWMGFJIZVNQ-UHFFFAOYSA-N
DG52234	1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea	324932	"1-(4-chlorophenyl)-3-(1,3-thiazol-2-yl)urea; 1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea; MLS000523574; 69123-55-3; SMR000122647; NSC291925; Oprea1_074118; Oprea1_128916; cid_324932; CHEMBL1559362; BDBM76384; ZINC46014; DTXSID10315117; HMS2361F10; STK019581; AKOS000484173; MCULE-2508384256; NSC-291925; SDCCGSBI-0125857.P001; 1-(4-chlorophenyl)-3-(2-thiazolyl)urea; 1-(4-chlorophenyl)-3-thiazol-2-yl-urea; Urea, N-(4-chlorophenyl)-N'-2-thiazolyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291925	.	.	.	.	253.71	C10H8ClN3OS	82.3	246	2.8	16	2	3	2	"InChI=1S/C10H8ClN3OS/c11-7-1-3-8(4-2-7)13-9(15)14-10-12-5-6-16-10/h1-6H,(H2,12,13,14,15)"	C1=CC(=CC=C1NC(=O)NC2=NC=CS2)Cl	KPRKVTCHPGWYQW-UHFFFAOYSA-N
DG52235	"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate"	324933	MLS003115639; 69123-48-4; NSC291927; CHEMBL1996494; DTXSID70315118; ZINC1565891; NSC-291927; SMR001831211	.	.	Investigative Drug(s)	Investigative	Small molecular drug	291927	.	.	.	.	293.34	C13H15N3O3S	105	392	1.6	20	2	5	5	"InChI=1S/C13H15N3O3S/c1-2-19-11(17)9-3-5-10(6-4-9)15-12(18)16-13-14-7-8-20-13/h3-6H,2,7-8H2,1H3,(H2,14,15,16,18)"	CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NCCS2	MHLLHTZJLCRFCU-UHFFFAOYSA-N
DG52236	"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one"	324952	"NSC292147; 62584-08-1; 12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one; 12-Hydroxyindolo(2,1-b)quinazoline-6(12H)-one; 12-hydroxy-12H-indolo[2,1-b]quinazolin-6-one; NSC 292147; CHEMBL1990747; NSC-292147; NCI60_002403"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292147	.	.	.	.	250.25	C15H10N2O2	52.9	434	1.6	19	1	3	0	"InChI=1S/C15H10N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,15,19H"	C1=CC=C2C(=C1)C(N3C4=CC=CC=C4C(=O)C3=N2)O	UYTIXHDIFSRARY-UHFFFAOYSA-N
DG52237	Rustaiyan A	324967	"RUSTAIYAN A; NSC292206; CHEMBL1990401; DTXSID20875136; NSC-292206; PROPENOIC ACID, ESTER DERIVATIVE; NCI60_002404"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292206	.	.	.	.	360.4	C19H20O7	91.4	779	0.7	26	0	7	3	"InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3"	CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O	WIQOUTANBFOBPB-UHFFFAOYSA-N
DG52238	Methyl 4-hydroxy-2-methoxybenzenecarbodithioate	324995	CHEMBL1975019; 62070-80-8; NSC292256; DTXSID50421029; ZINC1565956; NSC-292256	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292256	.	.	.	.	214.3	C9H10O2S2	86.8	185	2.5	13	1	4	3	"InChI=1S/C9H10O2S2/c1-11-8-5-6(10)3-4-7(8)9(12)13-2/h3-5,10H,1-2H3"	COC1=C(C=CC(=C1)O)C(=S)SC	FZFAKKZFYSCZEJ-UHFFFAOYSA-N
DG52239	1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea	325087	"NSC292684; 66929-50-8; 1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea; NCIMech_000503; CHEMBL166901; DTXSID10217081; ZINC5492634; CCG-35697; NSC 292684; NSC-292684; NCI60_002414; Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-nitroso-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292684	.	.	.	.	293.81	C11H20ClN3O2S	87.1	263	3.5	18	1	4	6	"InChI=1S/C11H20ClN3O2S/c12-6-8-18-9-7-15(14-17)11(16)13-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,16)"	C1CCC(CC1)NC(=O)N(CCSCCCl)N=O	KJRPCFPUAWNDAQ-UHFFFAOYSA-N
DG52240	"Benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	325113	"NSC292928; ZINC13207379; NSC-292928; benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	292928	.	.	.	.	347.4	C22H21NO3	48.4	429	4.8	26	0	4	7	"InChI=1S/C22H21NO3/c1-16-17(2)23-20(22(24)26-15-19-11-7-4-8-12-19)13-21(16)25-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3"	CC1=C(N=C(C=C1OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C	LHZQVAJJDVISKK-UHFFFAOYSA-N
DG52241	NSC293161	325174	"2-[7-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid; NSC293161; 15828-92-9; (7,7'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-; NSC-293161; [7,7'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-; NSC 293161; CHEMBL1976562; SCHEMBL20442857; DTXSID00935883; CCG-36392; 2-[7-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid; NCI60_002425; 2,2'-(5,5',10,10'-Tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-3,3',4,4',6,6',9,9'-octahydro-1H,1'H-[7,7'-binaphtho[2,3-c]pyran]-3,3'-diyl)diacetic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	293161	.	.	.	.	634.5	C32H26O14	242	1520	1.9	46	6	14	5	"InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)25-23(31(21)43)17(33)7-13(27(25)39)14-8-18(34)24-26(28(14)40)30(42)16-4-12(6-20(37)38)46-10(2)22(16)32(24)44/h7-12,33,39,41,43H,3-6H2,1-2H3,(H,35,36)(H,37,38)"	CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C=C(C3=O)C4=CC(=C5C(=C4O)C(=C6CC(OC(C6=C5O)C)CC(=O)O)O)O	ABKAAFBFNWYLHX-UHFFFAOYSA-N
DG52242	"S-(3-(hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	325414	"NSC294149; 62194-88-1; NSC-294149; NCIStruc1_000701; NCIStruc2_000806; CHEMBL1981261; DTXSID70315350; NCI60_002433; S-(3-(hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294149	.	.	.	.	282.28	C10H10N4O4S	152	364	-0.8	19	2	7	4	"InChI=1S/C10H10N4O4S/c11-6(10(15)16)5-19-8-9(14(17)18)13-4-2-1-3-7(13)12-8/h1-4,6H,5,11H2,(H,15,16)"	C1=CC2=NC(=C(N2C=C1)[N+](=O)[O-])SCC(C(=O)O)N	DSQHYQZBKPIFIF-UHFFFAOYSA-N
DG52243	"1, 2-(bromodiphenylstannyl)-N,N,N',N'-tetramethyl-"	325476	"NSC294244; ZINC195782175; NSC-294244; NCI60_002436; 1, 2-(bromodiphenylstannyl)-N,N,N',N'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294244	.	.	.	.	544.1	C24H29BrN2Sn	6.5	422	.	28	0	2	7	"InChI=1S/C12H19N2.2C6H5.BrH.Sn/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4;2*1-2-4-6-5-3-1;;/h5-7H,9-10H2,1-4H3;2*1-5H;1H;/q;;;;+1/p-1"	CN(C)CC1=C(C(=CC=C1)CN(C)C)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Br	XZHRLZUZYYIUIY-UHFFFAOYSA-M
DG52244	N-Dodecyl-N-hydroxybenzamide	325612	N-Dodecyl-N-hydroxybenzamide; 56918-98-0; UNII-G9SUZ33DVO; NSC294608; G9SUZ33DVO; NSC 294608; N-dodecyl-N-hydroxy-benzamide; CHEMBL1983213; DTXSID50205462; ZINC73351308; NSC-294608; NCI60_002443	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294608	.	.	.	.	305.5	C19H31NO2	40.5	275	6.5	22	1	2	12	"InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)19(21)18-15-12-11-13-16-18/h11-13,15-16,22H,2-10,14,17H2,1H3"	CCCCCCCCCCCCN(C(=O)C1=CC=CC=C1)O	KQDMTFAQBVMWDP-UHFFFAOYSA-N
DG52245	Lupene triol	325735	"LUPENE TRIOL; NSC294921; Lup-20(29)-ene-3,16,28-triol; Heliantriol B2; 61229-18-3; 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol; (1R,3As,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol; DTXSID20976738; CHEBI:190365; NSC-294921; NCI60_002454; 3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	294921	.	.	.	.	458.7	C30H50O3	60.7	819	7.7	33	3	3	2	"InChI=1S/C30H50O3/c1-18(2)19-10-15-30(17-31)24(33)16-29(7)20(25(19)30)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-28(22,29)6/h19-25,31-33H,1,8-17H2,2-7H3"	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO	TWKNDDJHVQUEJF-UHFFFAOYSA-N
DG52246	"6-Bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one"	325766	"72472-43-6; MLS002701790; 6-Bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one; 6-BROMO-2-METHOXY-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE; NSC295084; 6-bromo-2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one; SCHEMBL5241361; CHEMBL1736093; DTXSID70315517; AT10254; NSC-295084; NCI60_002456; SMR001565384; CS-0068973; 5H-Benzocyclohepten-5-one,7,8,9-tetrahydro-2-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295084	.	.	.	.	269.13	C12H13BrO2	26.3	242	3.2	15	0	2	1	"InChI=1S/C12H13BrO2/c1-15-9-5-6-10-8(7-9)3-2-4-11(13)12(10)14/h5-7,11H,2-4H2,1H3"	COC1=CC2=C(C=C1)C(=O)C(CCC2)Br	YVOBLRLPIJTZAI-UHFFFAOYSA-N
DG52247	"6,6-dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one"	325767	"71089-26-4; NSC295085; CHEMBL2006396; DTXSID30315518; ZINC5493210; 6,6-dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one; NSC-295085; NCI60_002457; 5H-Benzocyclohepten-5-one,6-dibromo-6,7,8,9-tetrahydro-2-methoxy-3-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295085	.	.	.	.	393.03	C12H11Br2NO4	72.1	382	3.8	19	0	4	1	"InChI=1S/C12H11Br2NO4/c1-19-10-5-7-3-2-4-12(13,14)11(16)8(7)6-9(10)15(17)18/h5-6H,2-4H2,1H3"	COC1=C(C=C2C(=C1)CCCC(C2=O)(Br)Br)[N+](=O)[O-]	FSROCAZULZUTJL-UHFFFAOYSA-N
DG52248	((Aminocarbonyl)amino)(methoxy)acetic acid	325890	NSC295473; 64732-17-8; NSC-295473; ((aminocarbonyl)amino)(methoxy)acetic acid; alpha-methoxyhydantoic acid; SCHEMBL238196; CHEMBL1998936; DTXSID10315571; AKOS006360684; NCI60_002466	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295473	.	.	.	.	148.12	C4H8N2O4	102	146	-1.5	10	3	4	3	"InChI=1S/C4H8N2O4/c1-10-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)"	COC(C(=O)O)NC(=O)N	SQBMMSCMKXLJDZ-UHFFFAOYSA-N
DG52249	NSC295499	325910	"Morpholine, 4-[(3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-; NSC295499; Neuro_000149; CHEMBL1977267; NSC-295499; NCI60_002467; hydroxy-methoxy-(2-morpholino-2-oxo-ethyl)[ ]dione; Morpholine, 4-[(3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-; Morpholine,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)acetyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295499	.	.	.	.	477.5	C25H23N3O7	119	1000	-0.3	35	1	8	3	"InChI=1S/C25H23N3O7/c1-33-22-14-4-2-3-5-18(14)26-21-15(22)12-28-19(21)10-17-16(23(28)30)13-35-24(31)25(17,32)11-20(29)27-6-8-34-9-7-27/h2-5,10,32H,6-9,11-13H2,1H3"	COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)N5CCOCC5)O)C2=NC6=CC=CC=C61	YVNNIWKSNZPQOZ-UHFFFAOYSA-N
DG52250	NSC295500	325911	"Methyl 2-(19-hydroxy-10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate; NSC295500; CHEMBL2002533; NSC-295500; NCI60_002468; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-4-acetic acid, 3,4,12,14-tetrahydro-4-hydroxy-11-methoxy-3,14-dioxo-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295500	.	.	.	.	422.4	C22H18N2O7	115	896	0.4	31	1	8	4	"InChI=1S/C22H18N2O7/c1-29-17(25)8-22(28)14-7-16-18-12(9-24(16)20(26)13(14)10-31-21(22)27)19(30-2)11-5-3-4-6-15(11)23-18/h3-7,28H,8-10H2,1-2H3"	COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)OC)O)C2=NC5=CC=CC=C51	JKMYAMJUZUUXBQ-UHFFFAOYSA-N
DG52251	"4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, (S)-"	325912	"NSC295501; CHEMBL1973760; NSC-295501; NCI60_002469; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-11-methoxy-; 4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	295501	.	.	.	.	378.4	C21H18N2O5	89	790	1	28	1	6	2	"InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-17-12(9-23(16)19(24)13(14)10-28-20(21)25)18(27-2)11-6-4-5-7-15(11)22-17/h4-8,26H,3,9-10H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)OC)O	WJNQIJDZEGIYCZ-UHFFFAOYSA-N
DG52252	"2,2-Dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione"	326210	"62390-99-2; NSC297093; CHEMBL1990112; DTXSID00315742; ZINC346783; 2,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione; AKOS016668619; MCULE-4283048614; NSC-297093; NCI60_002487; 1,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thienyl)methylene]-; 2,2-DIMETHYL-5-((5-NITRO-2-THIENYL)METHYLENE)-1,3-DIOXANE-4,6-DIONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297093	.	.	.	.	283.26	C11H9NO6S	127	444	2.6	19	0	7	1	"InChI=1S/C11H9NO6S/c1-11(2)17-9(13)7(10(14)18-11)5-6-3-4-8(19-6)12(15)16/h3-5H,1-2H3"	CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C	CISOKWVGMLHGBN-UHFFFAOYSA-N
DG52253	"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline"	326313	"50595-07-8; NSC297353; 6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline; 6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline; NSC 297353; CHEMBL1992094; DTXSID60198634; ZINC13207929; NSC-297353; 6-chloro-3-[(2-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297353	.	.	.	.	345.2	C18H14Cl2N2O	25.4	411	4.6	23	0	3	2	"InChI=1S/C18H14Cl2N2O/c19-15-6-2-1-4-12(15)9-22-10-13-8-16(20)14-5-3-7-21-17(14)18(13)23-11-22/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4Cl)Cl	YQUDGSHPAMOICU-UHFFFAOYSA-N
DG52254	"6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	326320	"41957-84-0; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline; NSC297360; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline; 6-chloro-3-[(4-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; NSC 297360; Bionet2_000691; Oprea1_868768; CHEMBL1966934; SCHEMBL12297892; DTXSID80194779; HMS1365P09; ZINC20366591; AKOS005088604; 3M-524S; MCULE-8140409225; NSC-297360; NCI60_002489; 6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-H]quinoline #; 6-CHLORO-3-[(4-CHLOROPHENYL)METHYL]-2H,3H,4H-[1,3]OXAZINO[5,6-H]QUINOLINE; 6-Chloro-3-[p-chlorobenzyl]-3,4-dihydro-2H-pyrido[3,2-b]-1,3-benzoxazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297360	.	.	.	.	345.2	C18H14Cl2N2O	25.4	403	4.6	23	0	3	2	"InChI=1S/C18H14Cl2N2O/c19-14-5-3-12(4-6-14)9-22-10-13-8-16(20)15-2-1-7-21-17(15)18(13)23-11-22/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=C(C=C4)Cl)Cl	NNZCKBDKGWOHKF-UHFFFAOYSA-N
DG52255	"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	326321	"NSC297361; CHEMBL1978734; 3-[(2-chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; ZINC13207936; NSC-297361; NCI60_002490; 3-(2-Chlorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297361	.	.	.	.	310.8	C18H15ClN2O	25.4	380	4	22	0	3	2	"InChI=1S/C18H15ClN2O/c19-16-6-2-1-4-14(16)10-21-11-15-8-7-13-5-3-9-20-17(13)18(15)22-12-21/h1-9H,10-12H2"	C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC=CC=C4Cl	YSDAVBBZXPACDW-UHFFFAOYSA-N
DG52256	"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	326326	"NSC297366; CHEMBL1973040; ZINC13207938; NSC-297366; 6-chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine; 6-Chloro-3-(2-fluorobenzyl)-3,4-dihydro-2H-[1,3]oxazino[5,6-h]quinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	297366	.	.	.	.	328.8	C18H14ClFN2O	25.4	413	4.1	23	0	4	2	"InChI=1S/C18H14ClFN2O/c19-15-8-13-10-22(9-12-4-1-2-6-16(12)20)11-23-18(13)17-14(15)5-3-7-21-17/h1-8H,9-11H2"	C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4F)Cl	SGUFJSRPDLQVAV-UHFFFAOYSA-N
DG52257	"N,N'-bis[(1-tert-butylaziridin-2-yl)methyl]oxamide"	326600	"NSC298276; N,N'-bis[(1-tert-butylaziridin-2-yl)methyl]oxamide; CHEMBL1998935; NSC-298276; NCI60_002497; N,1-DIMETHYLETHYL)-2-AZIRIDINYL]METHYL]ETHANEDIAMIDE; Ethanediamide,N'-bis[[1-(1,1-dimethylethyl)-2-aziridinyl]methyl]-; Ethanediamide, N,N'-bis[[1-(1,1-dimethylethyl)-2-aziridinyl]methyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	298276	.	.	.	.	310.44	C16H30N4O2	64.2	408	1	22	2	4	6	"InChI=1S/C16H30N4O2/c1-15(2,3)19-9-11(19)7-17-13(21)14(22)18-8-12-10-20(12)16(4,5)6/h11-12H,7-10H2,1-6H3,(H,17,21)(H,18,22)"	CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C	NCZAFBKFSHVMFZ-UHFFFAOYSA-N
DG52258	"Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester"	326899	"NSC299514; UNII-9J2BCV8VXC; 9J2BCV8VXC; 27146-16-3; MLS003115737; Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester; Carbamic acid, [2-(4-thiazolyl)-1H-benzimidazol-5-yl]-, ethyl ester; NSC 299514; CHEMBL1877688; DTXSID70181613; ZINC1566922; NSC-299514; SMR001831308; ethyl N-(2-thiazol-4-yl-1H-benzimidazol-5-yl)carbamate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299514	.	.	.	.	288.33	C13H12N4O2S	108	357	2.4	20	2	5	4	"InChI=1S/C13H12N4O2S/c1-2-19-13(18)15-8-3-4-9-10(5-8)17-12(16-9)11-6-20-7-14-11/h3-7H,2H2,1H3,(H,15,18)(H,16,17)"	CCOC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3	VRXADELDEAADGK-UHFFFAOYSA-N
DG52259	"Tris(4-tert-butyl-2,6-dimethoxyphenyl)methanol"	326946	"NSC299863; ZINC5573920; NSC-299863; Benzenemethanol,1-dimethylethyl)-.alpha.,.alpha.-bis[4-(1,1-dimethylethyl)-2,6-dimethoxyphenyl]-2,6-dimethoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299863	.	.	.	.	608.8	C37H52O7	75.6	732	9.1	44	1	7	12	"InChI=1S/C37H52O7/c1-34(2,3)22-16-25(39-10)31(26(17-22)40-11)37(38,32-27(41-12)18-23(35(4,5)6)19-28(32)42-13)33-29(43-14)20-24(36(7,8)9)21-30(33)44-15/h16-21,38H,1-15H3"	CC(C)(C)C1=CC(=C(C(=C1)OC)C(C2=C(C=C(C=C2OC)C(C)(C)C)OC)(C3=C(C=C(C=C3OC)C(C)(C)C)OC)O)OC	ZFRIXUZTJBWSAG-UHFFFAOYSA-N
DG52260	4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one	326958	NSC299878; CHEMBL2007272; ZINC1872057; NSC-299878; NCI60_002513	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299878	.	.	.	.	329.21	C13H13BrO3S	60.8	332	3.1	18	0	4	5	"InChI=1S/C13H13BrO3S/c1-16-10-2-3-11-9(8-18-5-4-14)6-13(15)17-12(11)7-10/h2-3,6-7H,4-5,8H2,1H3"	COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCBr	OYKGVZVMWHCQEL-UHFFFAOYSA-N
DG52261	4-Methyl-6-nitro-7-methoxycoumarin	326959	NSC299879; NCIMech_000462; CHEMBL1975079; ZINC1789748; 4-Methyl-6-nitro-7-methoxycoumarin; CCG-35983; AKOS002246590; MCULE-7165317860; NSC-299879; NCI60_002514; 7-methoxy-4-methyl-6-nitro-chromen-2-one; 6-(Hydroxy(oxido)amino)-7-methoxy-4-methyl-2H-chromen-2-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299879	.	.	.	.	235.19	C11H9NO5	81.4	373	1.6	17	0	5	1	"InChI=1S/C11H9NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5H,1-2H3"	CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC	WDTSLGKXQQQGGL-UHFFFAOYSA-N
DG52262	(+)-Totarol	326995	"(+)-Totarol; trans-Totarol; 511-15-9; 4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; NSC 299936; trans-Totarol;Totarol; TOTAROL (B637832K176); Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-; 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-; SCHEMBL1839596; CHEMBL1999971; CHEBI:188167; BCP15142; NSC299936; AKOS015916457; NSC-299936; NCI60_002516; XT170624; DB-051898; FT-0603433; Podocarpa-8,13-trien-13-ol, 14-isopropyl-; 14-Isopropylpodocarpa-8,11,13-trien-13-ol #; Q67880143; 8,11,13-Totaratrien-13-ol - Thuja plicata (western red cedar); (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; 2-Phenanthrenol,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-; 411239-21-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	299936	.	.	.	.	286.5	C20H30O	20.2	385	6.7	21	1	1	1	"InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3"	CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O	ZRVDANDJSTYELM-UHFFFAOYSA-N
DG52263	Mitonafide	327044	"Mitonafide; 54824-17-8; NSC 300288; UNII-06Q0V17SI9; N-(2-(Dimethylamino)ethyl)-3-nitronaphthalimide; MLS002702955; 06Q0V17SI9; NSC300288; NSC-300288; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-5-nitro-; Mitonafide [INN]; Mitonafida; Mitonafidum; Mitonafidum [INN-Latin]; 2-(2-(dimethylamino)ethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione; Mitonafida [INN-Spanish]; M 4212 (Pharmaceutical); M 4212; M-4212; BRN 1550151; 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(dimethylamino)ethyl]-5-nitro-; 2-((Dimethylamino)ethyl)-2,3-dihydro-5-nitro-2-azaphenalen-1,3-dion; 2-(2-(Dimethylamino)ethyl)-5-nitro-1H-benz(de)isoquinoline-1,3(2H)-dione; Neuro_000150; SCHEMBL62046; CHEMBL43482; DTXSID90203321; NAPHTHALIMIDE, 2-(2-(DIMETHYLAMINO)ETHYL)-5-NITRO-; ZINC3798955; NCI60_002518; SMR001566769; DB-083187; FT-0672422; Q27236211; 1H-Benz[de]isoquinoline-1, 2-[2-(dimethylamino)ethyl]-5-nitro-; 2-(2-dimethylaminoethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; 2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione; 1H-Benz[de]isoquinoline-1,3 (2H)-dione, 2-[2-(Dimethylamino)ethyl]-5-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	300288	.	.	.	.	313.31	C16H15N3O4	86.4	516	2	23	0	5	3	"InChI=1S/C16H15N3O4/c1-17(2)6-7-18-15(20)12-5-3-4-10-8-11(19(22)23)9-13(14(10)12)16(18)21/h3-5,8-9H,6-7H2,1-2H3"	CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]	XXVLKDRPHSFIIB-UHFFFAOYSA-N
DG52264	Pinafide	327045	"Pinafide; 54824-20-3; UNII-1OZ94FI615; MLS000766256; 5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 1OZ94FI615; M-12210; NSC300289; NSC-300289; SMR000528858; M 12210; MADE 12210; NSC 300289; Pinafida; Pinafidum; Pinafide [INN]; Pinafidum [INN-Latin]; Pinafida [INN-Spanish]; NSC 300289; BRN 1553168; SCHEMBL18697; CHEMBL46874; cid_327045; BDBM47509; ZINC4217305; 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(pyrrolidinyl)ethyl)-5-nitro-; DB-083188; FT-0758650; 3-Nitro-N-(2-(1-pyrrolidinyl)ethyl)naphthalimide; Q27252696; NAPHTHALIMIDE, 2-(2-(PYRROLIDINYL)ETHYL)-5-NITRO-; 1H-Benz[de]isoquinoline-1, 5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-; 5-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-nitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione; {1H-Benz[de]isoquinoline-1,3(2H)-dione,} {5-nitro-2-[2-(1-pyrrolidinyl)ethyl]-}; 5-Nitro-2-(2-(1-pyrrolidinyl)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione; 5-(Hydroxy(oxido)amino)-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	300289	.	.	.	.	339.3	C18H17N3O4	86.4	569	2.5	25	0	5	3	"InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2"	C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]	GBOQUHPYCRYKGV-UHFFFAOYSA-N
DG52265	"[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate"	327239	"70889-19-9; NSC301480; CHEMBL1995711; DTXSID10316265; ZINC1873941; NSC-301480; [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate; NCI60_002530; 1H-Pyrrole-3, 2-[1,1'-biphenyl]-4-yl-1,5-dimethyl-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	301480	.	.	.	.	421.5	C24H27N3O4	81.6	587	3.4	31	2	4	8	"InChI=1S/C24H27N3O4/c1-16-20(14-30-23(28)25-2)21(15-31-24(29)26-3)22(27(16)4)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H,25,28)(H,26,29)"	CC1=C(C(=C(N1C)C2=CC=C(C=C2)C3=CC=CC=C3)COC(=O)NC)COC(=O)NC	ZSOIFICKFJJSNP-UHFFFAOYSA-N
DG52266	2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid	327338	"NSC302042; NSC-302042; 2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid; 65W; NCIStruc1_001884; NCIStruc2_001439; CHEMBL1600564; ZINC1567038; CCG-37045; NCGC00014672; NCI302042; NCGC00014672-02; NCGC00097775-01; NCI60_002540; 2-methyl-2-(4-(1-naphthyl)phenoxy)propanoic acid; Propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302042	.	.	.	.	306.4	C20H18O3	46.5	409	5	23	1	3	4	"InChI=1S/C20H18O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H,21,22)"	CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32	JTWKEZBNKHBDAW-UHFFFAOYSA-N
DG52267	Bohlmann K2604	327375	NSC302286; BOHLMANN K2604; CHEMBL1988646; NSC-302286; NCI60_002541	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302286	.	.	.	.	336.5	C20H32O4	66.8	534	4.2	24	2	4	4	"InChI=1S/C20H32O4/c1-11(2)7-17(22)24-19-16-9-14(21)8-13(5)20(16,6)10-15(12(3)4)18(19)23/h7,13-16,18-19,21,23H,3,8-10H2,1-2,4-6H3"	CC1CC(CC2C1(CC(C(C2OC(=O)C=C(C)C)O)C(=C)C)C)O	JGLTUIDSFQWPBH-UHFFFAOYSA-N
DG52268	Bohlmann K2630	327377	NSC302288; BOHLMANN K2630; CHEMBL2004799; NSC-302288; NCI60_002543	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302288	.	.	.	.	392.4	C21H28O7	88.1	567	4	28	0	7	12	"InChI=1S/C21H28O7/c1-8-15(12-26-20(24)21(5,6)28-14(4)22)16-9-10-17(18(11-16)25-7)27-19(23)13(2)3/h8-11,13,15H,1,12H2,2-7H3"	CC(C)C(=O)OC1=C(C=C(C=C1)C(COC(=O)C(C)(C)OC(=O)C)C=C)OC	KTYZMIZSVMYQBQ-UHFFFAOYSA-N
DG52269	Bohlmann K2631	327378	"BOHLMANN K2631; (+)-Alantolactone; NSC302289; 546-43-0; 1407-14-3; Alantic anhydride; 5,8a-dimethyl-3-methylene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f]benzofuran-2-one; (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzoxol-2-one; SR-01000314259; EINECS 215-803-3; Alantolacetone; Helenine ; Putative_Alantolactone; BAS 00674051; CHEMBL8831; SCHEMBL15944429; CHEBI:177830; AKOS000635321; NSC-302289; 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one; LS-14417; NCI60_002544; FT-0653947; A830281; SR-01000314259-1; SR-01000314259-2; 5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one; 80367-94-8"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302289	.	.	.	.	232.32	C15H20O2	26.3	421	3.7	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3"	CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C	PXOYOCNNSUAQNS-UHFFFAOYSA-N
DG52270	"2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine"	327404	"21813-35-4; NSC302325; CHEMBL59530; MLS002701796; 2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine,5-(4-chloro-3-nitrophenyl)-6-ethyl-; 5-(4-Chloro-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine; 5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine; Neuro_000154; SCHEMBL6359292; DTXSID30176227; ZINC1567107; BDBM50058408; AKOS032958148; NSC 302325; NSC-302325; NCI60_002551; SMR001565390; 2, 5-(4-chloro-3-nitrophenyl)-6-ethyl-; 2,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine; 2,4-Diamino-6-ethyl-5-(3-nitro-4-chlorophenyl)pyrimidine; 2,4-diamino-6-ethyl-5-(4-chloro-3-nitrophenyl)pyrimidine; 2,4-diamino-6-ethyl-5-(4-chloro3-nitrophenyl)pyrimidine; Pyrimidine,4-diamino-5-(4-chloro-3-nitrophenyl)-6-ethyl-; 2,4,-Diamino-5-(4-chloro-3-nitrophenyl)-6-ethylpyrimidine; 2,4-Diamino-5-(4-chloro-3-nitro phenyl)-6-ethylpyrimidine; 2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302325	.	.	.	.	293.71	C12H12ClN5O2	124	353	2.3	20	2	6	2	"InChI=1S/C12H12ClN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]	JUUBFXIMFOJFOF-UHFFFAOYSA-N
DG52271	Shikoccin	327536	"Shikoccin; MLS002701797; NSC302979; 73211-11-7; Isodon Shikokianus compound A; CHEMBL1699228; DTXSID20316392; ISODON SHIKOKIANUS, COMPOUND A; NSC-302979; NCI60_002557; SMR001565391"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	302979	.	.	.	.	374.5	C22H30O5	80.7	731	2.6	27	1	5	2	"InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)9-8-19(27-13(2)23)21(3,4)17(22)11-16(24)15(10-14)20(12)26/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3"	CC(=O)OC1CCC2(C(C1(C)C)CC(C3=CC(CCC2=O)C(=C)C3=O)O)C	SZAHIEIJJDKFRX-UHFFFAOYSA-N
DG52272	2-Cyanoethyl 2-iminocyclopentanecarbodithioate	327580	"NSC303289; MLS003115777; 63018-11-1; NSC-303289; 2-cyanoethyl 2-iminocyclopentanecarbodithioate; CHEMBL1982683; DTXSID00316411; NCI60_002561; SMR001831343; Cyclopentanecarbodithioic acid, 2-cyanoethyl ester; Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303289	.	.	.	.	212.3	C9H12N2S2	105	264	1.4	13	1	4	4	"InChI=1S/C9H12N2S2/c10-5-2-6-13-9(12)7-3-1-4-8(7)11/h7,11H,1-4,6H2"	C1CC(C(=N)C1)C(=S)SCCC#N	BXYQFEVQIURBAI-UHFFFAOYSA-N
DG52273	"1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane"	327606	"NSC303530; NSC-303530; CHEMBL382617; 64762-53-4; NSC 303530; NCIStruc1_000837; NCIStruc2_000846; DTXSID40316430; ZINC1567332; BDBM50180789; CCG-36738; NCGC00014676; NCI303530; NCGC00014676-02; NCGC00097779-01; NCI60_002562; 1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane; 7-methyl-3-(2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridine; 7-methyl-3-(2-(7-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)[1,2,4]triazolo[4,3-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303530	.	.	.	.	292.34	C16H16N6	60.4	355	3.4	22	0	4	3	"InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3"	CC1=CC2=NN=C(N2C=C1)CCC3=NN=C4N3C=CC(=C4)C	YZJYQGRMFVKPAP-UHFFFAOYSA-N
DG52274	"3-((Cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine"	327610	"NSC303534; NSC-303534; Oxazolidene,4-dimethyl-; Oxazolidine,4-dimethyl-; NCIStruc1_000757; NCIStruc2_000728; CHEMBL1741710; CCG-37842; NCGC00014677; NCI303534; ZINC31760775; NCGC00014677-02; NCGC00097780-01; NCI60_002563; 3-((cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303534	.	.	.	.	213.32	C12H23NO2	21.7	200	2.4	15	0	3	3	"InChI=1S/C12H23NO2/c1-12(2)8-14-9-13(12)10-15-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3"	CC1(COCN1COC2CCCCC2)C	RVHQEWPGKMOMPN-UHFFFAOYSA-N
DG52275	"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	327685	"54255-31-1; NSC303751; DTXSID00316471; NSC-303751; 2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303751	.	.	.	.	386.5	C18H14N2O2S3	132	565	3.6	25	1	5	3	"InChI=1S/C18H14N2O2S3/c21-16-14(24-13-9-5-4-8-12(13)19-16)15-17(22)20(18(23)25-15)10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H,19,21)"	C1=CC=C(C=C1)CN2C(=O)C(SC2=S)C3C(=O)NC4=CC=CC=C4S3	UVLNNIKGDNAHSD-UHFFFAOYSA-N
DG52276	"2-isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one"	327703	"NSC303769; MLS002701798; 78503-85-2; 2-isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one; NSC-303769; CHEMBL1706224; CHEMBL1979627; SCHEMBL13090884; SCHEMBL13669606; DTXSID10316487; NCI60_002567; SMR001565392; DS-013412"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303769	.	.	.	.	357.4	C20H15N5O2	87.4	640	3.4	27	0	6	3	"InChI=1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,18H,1H3"	CC1=NN(C(=O)C1N=NC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4	CGZXHGCNAPWCCI-UHFFFAOYSA-N
DG52277	"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	327741	"MLS003115793; 26105-64-6; NSC303870; Oprea1_613387; CHEMBL1874177; DTXSID40316511; ZINC31760835; NSC-303870; SMR001831359; DS-008750; 2H-1,3,5-THIADIAZINE-2-THIONE,3-(2-FURANYLMETHYL)TETRAHYDRO-5-(PHENYLMETHYL)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	303870	.	.	.	.	304.4	C15H16N2OS2	77	334	3.4	20	0	4	4	"InChI=1S/C15H16N2OS2/c19-15-17(10-14-7-4-8-18-14)11-16(12-20-15)9-13-5-2-1-3-6-13/h1-8H,9-12H2"	C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CC=C3	YVGRTHFXWYEKNL-UHFFFAOYSA-N
DG52278	"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole"	327851	"NCIMech_000417; CHEMBL1999505; DTXSID90991791; ZINC73417898; NSC-304610; NCI60_002573; 3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304610	.	.	.	.	425.5	C27H24NO2P	30.8	575	6.5	31	0	3	5	"InChI=1S/C27H24NO2P/c1-29-23-19-17-22(18-20-23)27-21-31(30-28-27,24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3"	COC1=CC=C(C=C1)C2=NOP(C2)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5	NIMKUIZJGMIFAP-UHFFFAOYSA-N
DG52279	"6,7-Dimethoxy-3-phenylisoquinoline"	327861	"6,7-dimethoxy-3-phenylisoquinoline; 24285-10-7; NSC304636; MLS001360843; ISUPSL100300; SCHEMBL3318438; CHEMBL1706856; DTXSID10316568; HMS2224M21; HMS3355C11; 3-Phenyl-6,7-dimethoxyisoquinoline; ZINC1567648; NSC-304636; SMR001216325; DS-001568; ISOQUINOLINE,6,7-DIMETHOXY-3-PHENYL-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	304636	.	.	.	.	265.31	C17H15NO2	31.4	303	3.7	20	0	3	3	"InChI=1S/C17H15NO2/c1-19-16-9-13-8-15(12-6-4-3-5-7-12)18-11-14(13)10-17(16)20-2/h3-11H,1-2H3"	COC1=C(C=C2C=NC(=CC2=C1)C3=CC=CC=C3)OC	HWDYURZFTCCAGV-UHFFFAOYSA-N
DG52280	"6-(4-Chlorophenyl)sulfanylquinazoline-2,4-diamine"	328131	"MLS003115818; NSC305767; 51124-29-9; 2,4-Quinazolinediamine, 6-((4-chlorophenyl)thio)-; 2,4-Quinazolinediamine, 6-[(4-chlorophenyl)thio]-; 6-(4-chlorophenyl)sulfanylquinazoline-2,4-diamine; 2,4-Quinazolinediamine der.; CHEMBL1877296; SCHEMBL11883424; DTXSID00316698; 2, 6-[(4-chlorophenyl)thio]-; ZINC13207519; NSC-305767; SMR001831384; 2,4-Diamino-6-[[p-chlorophenyl]thio]quinazoline; 6-[(4-Chlorophenyl)thio]quinazoline-2,4-diamine; 6-[(4-Chlorophenyl)sulfanyl]-2,4-quinazolinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305767	.	.	.	.	302.8	C14H11ClN4S	103	324	3.7	20	2	5	2	"InChI=1S/C14H11ClN4S/c15-8-1-3-9(4-2-8)20-10-5-6-12-11(7-10)13(16)19-14(17)18-12/h1-7H,(H4,16,17,18,19)"	C1=CC(=CC=C1SC2=CC3=C(C=C2)N=C(N=C3N)N)Cl	OFGRXGJDGPQWBD-UHFFFAOYSA-N
DG52281	"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine"	328132	MLS003115819; 52128-16-2; NSC305768; CHEMBL1886075; DTXSID60316699; NSC-305768; SMR001831385	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305768	.	.	.	.	394.3	C17H17Cl2N5O2	127	403	.	26	4	7	3	"InChI=1S/C15H13Cl2N5.C2H4O2/c16-11-3-2-9(6-12(11)17)20-7-8-1-4-13-10(5-8)14(18)22-15(19)21-13;1-2(3)4/h1-6,20H,7H2,(H4,18,19,21,22);1H3,(H,3,4)"	CC(=O)O.C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N	AFPICYPZQDYTKK-UHFFFAOYSA-N
DG52282	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-"	328137	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-; 51123-24-1; NSC305783; 2, 6-(phenylsulfonyl)-; CHEMBL3246148; DTXSID90316703; ZINC6184631; NSC-305783; 2,4-Diamino-6-[phenylsulfonyl]quinazoline; DS-003651; 6-(Phenylsulfonyl)-2,4-quinazolinediamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305783	.	.	.	.	300.34	C14H12N4O2S	120	458	1.8	21	2	6	2	"InChI=1S/C14H12N4O2S/c15-13-11-8-10(6-7-12(11)17-14(16)18-13)21(19,20)9-4-2-1-3-5-9/h1-8H,(H4,15,16,17,18)"	C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N	PPVKDCRCHJWCLK-UHFFFAOYSA-N
DG52283	"6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine"	328138	"MLS003115821; 51123-89-8; 6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine; NSC305784; CHEMBL1873240; DTXSID50316704; ZINC6184632; NSC-305784; SMR001831387; 2, 6-[[3-(trifluoromethyl)phenyl]sulfonyl]-; 2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]sulfonyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305784	.	.	.	.	368.3	C15H11F3N4O2S	120	580	2.5	25	2	9	2	"InChI=1S/C15H11F3N4O2S/c16-15(17,18)8-2-1-3-9(6-8)25(23,24)10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)"	C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F	LMXPIDHKKSVTCS-UHFFFAOYSA-N
DG52284	"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	328145	"MLS003115824; 51124-02-8; NSC305799; CHEMBL1879109; DTXSID30316707; ZINC1568037; NSC-305799; SMR001831390; 2, 6-[[4-(dimethylamino)phenyl]thio]-; 2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305799	.	.	.	.	311.4	C16H17N5S	106	358	3.2	22	2	6	3	"InChI=1S/C16H17N5S/c1-21(2)10-3-5-11(6-4-10)22-12-7-8-14-13(9-12)15(17)20-16(18)19-14/h3-9H,1-2H3,(H4,17,18,19,20)"	CN(C)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N	XBBZMWRNKBGJPJ-UHFFFAOYSA-N
DG52285	"1-(2, Phosphoric acid"	328154	"NSC305819; MLS002701800; NSC-305819; 1-(2, phosphoric acid; CHEMBL1903641; SMR001565394; phosphoric acid compound with 1-(2,8-bis(trifluoromethyl)-4-quinolinyl)-3-(tert-butylamino)-1-propanol (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	305819	.	.	.	.	492.3	C18H23F6N2O5P	123	538	.	32	5	13	5	"InChI=1S/C18H20F6N2O.H3O4P/c1-16(2,3)25-8-7-13(27)11-9-14(18(22,23)24)26-15-10(11)5-4-6-12(15)17(19,20)21;1-5(2,3)4/h4-6,9,13,25,27H,7-8H2,1-3H3;(H3,1,2,3,4)"	CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O.OP(=O)(O)O	VJZWDKXYFVTRRS-UHFFFAOYSA-N
DG52286	NSC306393	328256	"[4-[[3-[(4-azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver; NSC306393; NSC-306393"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306393	.	.	.	.	1153.3	C36H29Ag2Cl4N9O9S2-4	235	1920	.	62	3	19	11	"InChI=1S/C26H18Cl4N7O7S2.2C5H6NO.2Ag/c27-23(28)25(38)33-18-3-1-2-17-21(18)19(36-34-13-4-8-15(9-5-13)45(31,40)41)12-20(22(17)44-26(39)24(29)30)37-35-14-6-10-16(11-7-14)46(32,42)43;2*1-4-3-7-6-5(4)2;;/h1-12,23-24H,(H4-,31,32,33,38,40,41,42,43);2*1-2H3;;/q3*-1;;/p-1"	CC1=[C-]ON=C1C.CC1=[C-]ON=C1C.C1=CC2=C(C(=C1)NC(=O)C(Cl)Cl)C(=CC(=C2OC(=O)C(Cl)Cl)N=NC3=CC=C(C=C3)S(=O)(=O)[NH-])N=NC4=CC=C(C=C4)S(=O)(=O)[NH-].[Ag].[Ag]	OXNPTLFTKQGULA-UHFFFAOYSA-M
DG52287	"2,3,7-trichloro-10H-phenothiazine-1,4-dione"	328364	NSC306736; CHEMBL1983059; ZINC1568360; NSC-306736	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306736	.	.	.	.	332.6	C12H4Cl3NO2S	71.5	543	4.4	19	1	4	0	"InChI=1S/C12H4Cl3NO2S/c13-4-1-2-5-6(3-4)19-12-9(16-5)10(17)7(14)8(15)11(12)18/h1-3,16H"	C1=CC2=C(C=C1Cl)SC3=C(N2)C(=O)C(=C(C3=O)Cl)Cl	HYUMDPDNCXJVQD-UHFFFAOYSA-N
DG52288	"1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea"	328377	"35224-67-0; 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea; NSC306752; N-(3-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)urea; MLS000757045; NSC-306752; SMR000528904; 1-(3-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea; NCIStruc1_000741; NCIStruc2_000946; MLS001165568; CHEMBL1358810; DTXSID40316773; HMS2871P13; ZINC329885; CCG-37825; MFCD00454022; NCGC00014691; NCI306752; STK061493; AKOS000619716; MCULE-2369068427; NCGC00014691-02; NCGC00097794-01; NCI60_002615; DS-004545; CS-0320248; 6R-0023; 3-(3-chlorophenyl)-1-(1,2,4-triazol-4-yl)urea; N-(3-chlorophenyl)-N'-4H-1,2,4-triazol-4-ylurea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306752	.	.	.	.	237.64	C9H8ClN5O	71.8	246	1	16	2	3	2	"InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(4-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)"	C1=CC(=CC(=C1)Cl)NC(=O)NN2C=NN=C2	UOWPKVIDUNKFOK-UHFFFAOYSA-N
DG52289	Polyphyllin B	328441	"Polyphyllin B; Formosanin C; 50773-42-7; DIOSGENIN TETRAGLYCOSIDE; NSC306864; 2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol; CHEMBL2004307; DTXSID50965019; NSC-306864; LS-15499; NCI60_002618; FT-0776309; Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)]hexopyranoside"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306864	.	.	.	.	1015.2	C51H82O20	295	1900	0.2	71	10	20	9	"InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3"	CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1	OZIHYFWYFUSXIS-UHFFFAOYSA-N
DG52290	"2-[(2,3,6,7-Tetramethylbicyclo[4.4.0]dec-7-en-2-yl)methyl]benzene-1,4-diol"	328503	"2-[(2,3,6,7-tetramethylbicyclo[4.4.0]dec-7-en-2-yl)methyl]benzene-1,4-diol; NSC306951; 2-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]benzene-1,4-diol; CHEMBL1984731; SCHEMBL21397196; AKOS024365747; MCULE-8885873146; NSC-306951; NCI60_002622; 2-[(1,2,4A,5-TETRAMETHYL-1,2,3,4,4A,7,8,8A-OCTAHYDRO-1-NAPHTHALENYL)METHYL]-1,4-BENZENEDIOL"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306951	.	.	.	.	314.5	C21H30O2	40.5	471	6	23	2	2	2	"InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3"	CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C	JSPUCPNQXKTYRO-UHFFFAOYSA-N
DG52291	4-Hydroxy-7-benzyloxyquinoline-3-carboxylic acid	328505	NSC306960; 17825-22-8; 4-hydroxy-7-benzyloxyquinoline-3-carboxylic acid; CHEMBL157710; 4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid; NSC-306960; NCIStruc1_000956; NCIStruc2_000903; SCHEMBL17338607; DTXSID70316807; ZINC3954550; BDBM50404725; CCG-36849; NCGC00014692; NCI306960; NCGC00014692-02; NCGC00097795-01; NCI60_002623; DS-001419; 7-Benzyloxy-4-hydroxy-quinoline-3-carboxylic acid; 7-(benzyloxy)-4-hydroxy-3-quinolinecarboxylic acid	.	.	Investigative Drug(s)	Investigative	Small molecular drug	306960	.	.	.	.	295.29	C17H13NO4	75.6	467	3.3	22	2	5	4	"InChI=1S/C17H13NO4/c19-16-13-7-6-12(22-10-11-4-2-1-3-5-11)8-15(13)18-9-14(16)17(20)21/h1-9H,10H2,(H,18,19)(H,20,21)"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)O	ABQKYBVDVAXVNO-UHFFFAOYSA-N
DG52292	NSC307990	328650	"[3-acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate; 73113-92-5; [3-acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate; NSC307990; DTXSID60993863; NSC-307990; 3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3,4-di-o-acetyl-2,6-dideoxyhexopyranoside; 5, 10-[(3,4-di-O-acetyl-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	307990	.	.	.	.	628.6	C31H32O14	212	1190	2.7	45	4	14	9	"InChI=1S/C31H32O14/c1-12-30(44-14(3)34)18(43-13(2)33)8-21(42-12)45-19-10-31(40,20(35)11-32)9-16-23(19)29(39)25-24(27(16)37)26(36)15-6-5-7-17(41-4)22(15)28(25)38/h5-7,12,18-19,21,30,32,37,39-40H,8-11H2,1-4H3/t12 ,18 ,19-,21 ,30 ,31-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OC(=O)C)OC(=O)C	FCYRUGFDQOKETE-AXBADRFBSA-N
DG52293	10-(2-Ethoxybenzylidene)-9-anthrone	328716	NSC308787; CHEMBL2000710; ZINC1568751; AKOS024334830; MCULE-9826324678; NSC-308787; NCI60_002637; 10-(2-ETHOXYBENZYLIDENE)-9-ANTHRONE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308787	.	.	.	.	326.4	C23H18O2	26.3	480	5.3	25	0	2	3	"InChI=1S/C23H18O2/c1-2-25-22-14-8-3-9-16(22)15-21-17-10-4-6-12-19(17)23(24)20-13-7-5-11-18(20)21/h3-15H,2H2,1H3"	CCOC1=CC=CC=C1C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42	PYHQRWGUQOENPZ-UHFFFAOYSA-N
DG52294	"5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione"	328772	"69408-99-7; MLS003115866; NSC308846; UNII-AG542XU5YV; AG542XU5YV; SMR001831432; 5-methoxy-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione; 5-Methoxy-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; NSC 308846; cid_328772; CHEMBL1892757; SCHEMBL11434790; BDBM83859; DTXSID70219566; ZINC5640618; NSC-308846; 5-METHOXY-2-(2-(PYRROLIDIN-1-YL)ETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE; N-(2-Pyrrolizinoethyl)-3-methoxy-1,8-naphthalenedicarbimide; 5-methoxy-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-methoxy-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308846	.	.	.	.	324.4	C19H20N2O3	49.8	503	2.6	24	0	4	4	"InChI=1S/C19H20N2O3/c1-24-14-11-13-5-4-6-15-17(13)16(12-14)19(23)21(18(15)22)10-9-20-7-2-3-8-20/h4-6,11-12H,2-3,7-10H2,1H3"	COC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CCN4CCCC4	ZUQGGIPILNWNRC-UHFFFAOYSA-N
DG52295	"5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione"	328774	"NSC308849; MLS000757037; 69408-83-9; UNII-1TW4LP4IB1; 1TW4LP4IB1; SMR000528909; 5-amino-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione; 1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-; 5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione; NSC 308849; cid_328774; CHEMBL1487460; BDBM51259; DTXSID50219564; HMS2853D21; ZINC5640620; NSC-308849; NCGC00246787-01; 1H-Benz[de]isoquinoline-1, 5-amino-2-[2-(1-pyrrolidinyl)ethyl]-; 5-amino-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone; 5-amino-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione; 5-azanyl-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione; 2-(2-Pyrrolizinoethyl)-5-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione; {1H-Benz[de]isoquinoline-1,3(2H)-dione,} {5-amino-2-[2-(1-pyrrolidinyl)ethyl]-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308849	.	.	.	.	309.4	C18H19N3O2	66.6	489	2	23	1	4	3	"InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2"	C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N	TXYIFVDECCPRPY-UHFFFAOYSA-N
DG52296	NSC308879	328778	"4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; Panaxadiol; 19666-76-3; NSC308879; 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyloxan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; Panaxol; Ginsengenin II; DTXSID10941430; 20,25-Epoxydammarane-3,12-diol; NSC-308879; NCI60_002646; FT-0686671; A813863; Dammarane-3,12-diol, 20,25-epoxy-, (3b,12b,20R)-; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyltetrahydropyran-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308879	.	.	.	.	460.7	C30H52O3	49.7	789	6.9	33	2	3	1	"InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3"	CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C	PVLHOJXLNBFHDX-UHFFFAOYSA-N
DG52297	"7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-beta-D-ribofuranosyl-"	328780	"MLS003115867; 78582-20-4; NSC308881; CHEMBL1891690; DTXSID80316914; NSC-308881; SMR001831433; DS-006009; 7H-Pyrrolo[3,2,4]triazolo[1,5-c]pyrimidine, 7-.beta.-D-ribofuranosyl-; 7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine,7-b-d-ribofuranosyl-; 7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	308881	.	.	.	.	291.26	C12H13N5O4	118	402	-1.1	21	3	7	2	"InChI=1S/C12H13N5O4/c18-3-7-8(19)9(20)12(21-7)16-2-1-6-10(16)14-5-17-11(6)13-4-15-17/h1-2,4-5,7-9,12,18-20H,3H2"	C1=CN(C2=C1C3=NC=NN3C=N2)C4C(C(C(O4)CO)O)O	LOUXALRPXGPCFM-UHFFFAOYSA-N
DG52298	"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline"	328919	"NSC309883; MLS003115874; 4-(3-pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline; NSC-309883; CHEMBL1883437; SCHEMBL18134608; NCI60_002660; SMR001831440; 4-(Pyridin-3-yl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline; 906717-10-0"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309883	.	.	.	.	455.5	C23H16F3N3O2S	63.6	771	4.1	32	0	7	3	"InChI=1S/C23H16F3N3O2S/c24-23(25,26)17-7-3-8-18(14-17)32(30,31)29-20-10-2-1-9-19(20)28-13-5-11-21(28)22(29)16-6-4-12-27-15-16/h1-15,22H"	C1=CC=C2C(=C1)N3C=CC=C3C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C5=CN=CC=C5	UAZQZAONUXSURN-UHFFFAOYSA-N
DG52299	4-Amino-5-((5-chloro-1-benzofuran-2-yl)carbonyl)-2-(4-chloro-2-methylanilino)-3-thiophenecarbonitrile	328931	NSC309895; NSC-309895; NCIStruc1_001602; NCIStruc2_001896; Oprea1_005838; CHEMBL552439; SCHEMBL4488435; ZINC1568969; CCG-37877; NCGC00014700; NCI309895; MCULE-1698455344; NCGC00014700-02; NCGC00097803-01; NCI60_002661; SR-01000632849-1; 4-amino-5-((5-chloro-1-benzofuran-2-yl)carbonyl)-2-(4-chloro-2-methylanilino)-3-thiophenecarbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	309895	.	.	.	.	442.3	C21H13Cl2N3O2S	120	674	7.7	29	2	6	4	"InChI=1S/C21H13Cl2N3O2S/c1-10-6-12(22)2-4-15(10)26-21-14(9-24)18(25)20(29-21)19(27)17-8-11-7-13(23)3-5-16(11)28-17/h2-8,26H,25H2,1H3"	CC1=C(C=CC(=C1)Cl)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N	NQDRSEQLRQZOHD-UHFFFAOYSA-N
DG52300	(3-Chlorobenzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone	329165	MLS000757020; SMR000528915; NSC310326; Maybridge1_000249; cid_329165; CHEMBL3197439; CHEMBL4202877; BDBM58109; HMS542D07; ZINC1569237; ZINC100392147; CCG-235128; MCULE-4196025514; NSC-310326; (3-chloranyl-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylidene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chloro-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chloro-1-benzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylidene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone; (3-chlorobenzothiophen-2-yl)-[2-(2-chlorophenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310326	.	.	.	.	487.5	C24H20Cl2N2OS2	86.2	754	8.2	31	0	4	2	"InChI=1S/C24H20Cl2N2OS2/c1-15-24(13-7-2-8-14-24)28(23(30-15)27-18-11-5-4-10-17(18)25)22(29)21-20(26)16-9-3-6-12-19(16)31-21/h3-6,9-12H,1-2,7-8,13-14H2"	C=C1C2(CCCCC2)N(C(=NC3=CC=CC=C3Cl)S1)C(=O)C4=C(C5=CC=CC=C5S4)Cl	CWFIQSRJYAZENI-UHFFFAOYSA-N
DG52301	"Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-"	329202	"NSC310365; MLS000757016; NSC-310365; NCIStruc1_001852; NCIStruc2_001549; CHEMBL476135; HMS2884D09; ZINC138096; Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-; CCG-37129; NCGC00014707; NCI310365; MCULE-9020333830; NCGC00014707-02; NCGC00097809-01; 501103-27-1; NCI60_002674; SMR000528917; 2-(((2-(4-chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	310365	.	.	.	.	332.9	C16H13ClN2S2	92.4	323	4.6	21	1	4	4	"InChI=1S/C16H13ClN2S2/c17-12-7-5-11(6-8-12)16-19-13(10-21-16)9-20-15-4-2-1-3-14(15)18/h1-8,10H,9,18H2"	C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl	PGYRTAKPHAXCFJ-UHFFFAOYSA-N
DG52302	Dehydrofarinosin	329302	"Dehydrofarinosin; NSC311053; 15569-50-3; Dehydro-Farinosin; CHEMBL2000615; DTXSID90935271; NSC-311053; 8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione; NCI60_002684; DS-000051; Eudesma-1,11(13)-trien-12-oic acid, 8.beta.-hydroxy-3-oxo-, .gamma.-lactone; 8a-Methyl-3,5-bismethylene-3a,4,4a,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,6(3H,5H)-dione; 8a-Methyl-3,5-dimethylidene-3a,4a,5,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,6(3H,4H)-dione; Naphtho[2,3-b]furan-2,6(3h,4h)-dione,3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, (3ar,4ar,8as,9ar)-; Naphtho[2,6(3H,4H)-dione, 3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311053	.	.	.	.	244.28	C15H16O3	43.4	514	2.5	18	0	3	0	"InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3"	CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3	LXMUZMFQJGRVFW-UHFFFAOYSA-N
DG52303	"Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-"	329304	"MLS003115909; 4-(2,4-dinitrophenyl)sulfanylpyrimidine; Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-; 73768-68-0; NSC-311068; SMR001831472; NSC311068; cid_329304; CHEMBL1867341; BDBM83860; DTXSID20317107; Pyrimidine,4-dinitrophenyl)thio]-; ZINC1570296; 4-[(2,4-dinitrophenyl)thio]pyrimidine; DS-012376"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311068	.	.	.	.	278.25	C10H6N4O4S	143	345	2.3	19	0	7	2	InChI=1S/C10H6N4O4S/c15-13(16)7-1-2-9(8(5-7)14(17)18)19-10-3-4-11-6-12-10/h1-6H	C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC=C2	SLHSCOLZKJZFFU-UHFFFAOYSA-N
DG52304	"Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-"	329319	"MLS003170970; Benzenamine,4,6-trimethylspiro(7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol)-5-ylidene]-; Benzenamine,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-; NSC311165; CHEMBL1868399; CHEMBL4296965; NSC-311165; SMR001874884; Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311165	.	.	.	.	285.34	C16H19N3O2	58.8	510	3.8	21	0	4	1	"InChI=1S/C16H19N3O2/c1-14(2)9-15(3)12(20-15)16(10-14)19-18-13(21-16)17-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3"	CC1(CC2(C(O2)C3(C1)N=NC(=NC4=CC=CC=C4)O3)C)C	MFTSRMJYWLCCSA-UHFFFAOYSA-N
DG52305	1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one	329419	NSC311978; NSC-311978	.	.	Investigative Drug(s)	Investigative	Small molecular drug	311978	.	.	.	.	644.4	C33H28Br2N2O2	58.9	844	8	39	0	4	11	"InChI=1S/C33H28Br2N2O2/c1-23(37-31(25-10-6-3-7-11-25)21-33(39)27-14-18-29(35)19-15-27)22-36-30(24-8-4-2-5-9-24)20-32(38)26-12-16-28(34)17-13-26/h2-19,23H,20-22H2,1H3"	CC(CN=C(CC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2)N=C(CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4	CLSNOVHSYJOEEI-UHFFFAOYSA-N
DG52306	Straital B	329431	Straital B; Striatal B; NSC312033; NSC-312033; STRIATIN E; Striatin B; CHEMBL1212998; NCI60_002692	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312033	.	.	.	.	488.6	C27H36O8	119	1030	1.3	35	2	8	4	"InChI=1S/C27H36O8/c1-13(2)16-6-7-25(4)8-9-26(5)21(20(16)25)17(30)10-15(11-28)19-23(26)35-24-27(19,32)22(31)18(12-33-24)34-14(3)29/h10-11,13,17-19,21,23-24,30,32H,6-9,12H2,1-5H3/t17-,18+,19+,21+,23-,24-,25+,26+,27+/m0/s1"	CC(C)C1=C2[C@H]3[C@H](C=C([C@@H]4[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]5[C@@]4(C(=O)[C@@H](CO5)OC(=O)C)O)C=O)O	XEYRAYPCKBTMBS-QSNZRAQQSA-N
DG52307	"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate"	329459	"70096-91-2; NSC312439; bis(2-fluoro-2,2-dinitro-ethoxy)methanethione; O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate; NSC 312439; SCHEMBL8605180; CHEMBL1968942; DTXSID30220370; NSC-312439; NCI60_002693; DS-007274; bis(2-fluoro-2,2-dinitroethyl)thionocarbonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312439	.	.	.	.	350.17	C5H4F2N4O10S	234	433	1.4	22	0	13	6	"InChI=1S/C5H4F2N4O10S/c6-4(8(12)13,9(14)15)1-20-3(22)21-2-5(7,10(16)17)11(18)19/h1-2H2"	C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F	WMUNXAZWYPTWDQ-UHFFFAOYSA-N
DG52308	Prieurianin	329486	"Prieurianin; 57672-91-0; NSC312621; [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methylpentanoate; [(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate; CHEMBL1989748; NSC-312621; NCI60_002695; PRIEURIANIN FROM GUAREA TRICHILIOIDES"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312621	.	.	.	.	762.8	C38H50O16	229	1530	2.1	54	2	16	17	"InChI=1S/C38H50O16/c1-10-19(2)31(45)34(46)53-33-32(51-18-39)30(20(3)38(47)26(42)13-24(37(33,38)8)23-11-12-49-16-23)36(7)25(14-28(43)48-9)35(6,17-50-21(4)40)54-29(44)15-27(36)52-22(5)41/h11-12,16,18-19,24-25,27,30-33,45,47H,3,10,13-15,17H2,1-2,4-9H3"	CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O	LRLMYQFHTXHFRH-UHFFFAOYSA-N
DG52309	"1-(1H-tetrazol-5-yl)pentane-1,2,3,4,5-pentol"	329517	"NSC624279; NSC624280; CHEMBL1966618; 1-C-(1H-Tetraazol-5-yl)pentitol; 5-[D-gluco-pentitol-1-yl]tetrazole; 5-[D-manno-pentitol-1-yl]tetrazole; NSC312810; NSC-312810; NSC-624279; NSC-624280; {5-[D-Gluco-pentitol-1-yl]tetrazole}; {5-[D-Manno-pentitol-1-yl]tetrazole}; NCI60_007293; NCI60_007294; 1-(1H-tetrazol-5-yl)pentane-1,2,3,4,5-pentol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	624280	.	.	.	.	220.18	C6H12N4O5	156	196	-3.9	15	6	8	5	"InChI=1S/C6H12N4O5/c11-1-2(12)3(13)4(14)5(15)6-7-9-10-8-6/h2-5,11-15H,1H2,(H,7,8,9,10)"	C(C(C(C(C(C1=NNN=N1)O)O)O)O)O	VPUGXNYOCIAXLS-UHFFFAOYSA-N
DG52310	Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane	329532	81073-05-4; NSC312825; diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane; CHEMBL2006651; DTXSID00317221; ZINC73371220; NSC-312825	.	.	Investigative Drug(s)	Investigative	Small molecular drug	312825	.	.	.	.	410.5	C28H27OP	9.2	467	6.3	30	0	1	7	"InChI=1S/C28H27OP/c1-28(2,29-22-23-14-6-3-7-15-23)26-20-12-13-21-27(26)30(24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-21H,22H2,1-2H3"	CC(C)(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4	VZZKDGPXFKXDIR-UHFFFAOYSA-N
DG52311	"1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-"	329576	"NSC313157; 4, N(4),N(4')-1,6-hexanediylbis(N(7),N(7),2-trimethyl-; 4, N(4),N(4')-1,6-hexanediylbis[N(7),N(7),2-trimethyl-; NCI0215; CHEMBL2003168; ZINC1570580; NSC-313157; NCI60_002700; 4, N4,N4'-1,6-hexanediylbis[N7,N7,2-trimethyl-; 1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-; N4-[6-[[7-(dimethylamino)-2-methyl-4-quinolyl]amino]hexyl]-N7,N7,2-trimethyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313157	.	.	.	.	484.7	C30H40N6	56.3	587	6.6	36	2	6	11	"InChI=1S/C30H40N6/c1-21-17-27(25-13-11-23(35(3)4)19-29(25)33-21)31-15-9-7-8-10-16-32-28-18-22(2)34-30-20-24(36(5)6)12-14-26(28)30/h11-14,17-20H,7-10,15-16H2,1-6H3,(H,31,33)(H,32,34)"	CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C	WIPLXGQXVUIAAM-UHFFFAOYSA-N
DG52312	"1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-"	329577	"NSC313158; CHEMBL1965120; ZINC5390317; NSC-313158; NCI60_002701; 4, N4,N4'-1,8-octanediylbis[N7,N7,2-trimethyl-; 4, N(4),N(4')-1,8-octanediylbis(N(7),N(7),2-trimethyl-; 1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-; N4-[8-[[7-(dimethylamino)-2-methyl-4-quinolyl]amino]octyl]-N7,N7,2-trimethyl-quinoline-4,7-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313158	.	.	.	.	512.7	C32H44N6	56.3	614	7.7	38	2	6	13	"InChI=1S/C32H44N6/c1-23-19-29(27-15-13-25(37(3)4)21-31(27)35-23)33-17-11-9-7-8-10-12-18-34-30-20-24(2)36-32-22-26(38(5)6)14-16-28(30)32/h13-16,19-22H,7-12,17-18H2,1-6H3,(H,33,35)(H,34,36)"	CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C	IRCZAKCZHXNLMF-UHFFFAOYSA-N
DG52313	"4, N4,N4'-1,6-hexanediylbis[N7,N7-dimethyl-"	329578	"NSC313159; CHEMBL1978178; ZINC1570581; NSC-313159; NCI60_002702; 4, N4,N4'-1,6-hexanediylbis[N7,N7-dimethyl-; 4, N(4),N(4')-1,6-hexanediylbis[N(7),N(7)-dimethyl-; 4, N(4),N(4')-1,6-octanediylbis(N(7),N(7)-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313159	.	.	.	.	456.6	C28H36N6	56.3	533	5.8	34	2	6	11	"InChI=1S/C28H36N6/c1-33(2)21-9-11-23-25(13-17-31-27(23)19-21)29-15-7-5-6-8-16-30-26-14-18-32-28-20-22(34(3)4)10-12-24(26)28/h9-14,17-20H,5-8,15-16H2,1-4H3,(H,29,31)(H,30,32)"	CN(C)C1=CC2=NC=CC(=C2C=C1)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)N(C)C	HKCSFOBYHHXGJX-UHFFFAOYSA-N
DG52314	"2,2'-[(tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)"	329639	"75030-64-7; NSC313430; CHEMBL1992852; DTXSID40317260; ZINC31768621; NSC-313430; NCI60_002706; 2,2'-[(tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	313430	.	.	.	.	361.5	C24H27NO2	37.4	513	4.8	27	0	3	9	"InChI=1S/C24H27NO2/c1-18(22(26)20-12-8-6-9-13-20)16-25(24(3,4)5)17-19(2)23(27)21-14-10-7-11-15-21/h6-15H,1-2,16-17H2,3-5H3"	CC(C)(C)N(CC(=C)C(=O)C1=CC=CC=C1)CC(=C)C(=O)C2=CC=CC=C2	ZNBGMAWFRAVLSE-UHFFFAOYSA-N
DG52315	"2,3-Dimethoxy-6-methyl-5H-(1,3)dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione"	329826	"66358-49-4; NSC 314622; UNII-Q1G3FJ6TLS; NSC314622; Q1G3FJ6TLS; NSC-314622; MLS002701805; 2,3-Dimethoxy-6-methyl-5H-(1,3)dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione; 2,3-Dimethoxy-6-methyl-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione; NSC-341622; NCIMech_000446; CHEMBL79513; SCHEMBL14147251; DTXSID40216582; ZINC1570831; CCG-35623; NCI60_002710; SMR001565399; 5H-[1,6]indeno[1,2-c]isoquinoline-5,12-dione, 2,3-dimethoxy-6-methyl-; {5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12-dione,} 2, 3-dimethoxy-6-methyl-; 5,6-dihydro-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno(1,2-c)isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	314622	.	.	.	.	365.3	C20H15NO6	74.3	705	2.1	27	0	6	2	"InChI=1S/C20H15NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7H,8H2,1-3H3"	CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5	LWLNFIXOPOZENE-UHFFFAOYSA-N
DG52316	"2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-"	330094	"MLS003115929; NSC315844; CHEMBL1905937; NSC-315844; SMR001831491; 2(1H)-pyrimidinone,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-; 2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	315844	.	.	.	.	226.16	C9H7FN2O4	68.2	441	0.3	16	0	5	2	"InChI=1S/C9H7FN2O4/c1-15-8-5(10)4-12(9(14)11-8)6-2-3-7(13)16-6/h2-4,6H,1H3"	COC1=NC(=O)N(C=C1F)C2C=CC(=O)O2	SOMYTVQCIUWOSO-UHFFFAOYSA-N
DG52317	"3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-"	330164	"MLS002701806; NSC316458; CHEMBL9568; SCHEMBL863873; NSC-316458; NCI60_002719; SMR001565400; 3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-; 3-Cyclopentene-1, 5-(6-amino-9H-purin-9-yl)- 3-(hydroxymethyl)-, [1S-(1.ALPHA.,2.ALPHA.,5.BETA.)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	316458	.	.	.	.	263.25	C11H13N5O3	130	379	-2	19	4	7	2	"InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)"	C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO	XUGWUUDOWNZAGW-UHFFFAOYSA-N
DG52318	"11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-"	330267	"MLS000757007; NSC-317605; SMR000528920; 34374-22-6; 11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-; NSC317605; cid_330267; CHEMBL1312050; BDBM78885; DTXSID10317535; HMS2886E15; ZINC1571821; N-[(3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine; MLS000757007-02; 1H-Indolo[3, 3-chloro-N,N-diethyl-8-methoxy-; 11H-Indolo[3, 3-chloro-N,N-diethyl-8-methoxy-; 3-Chloro-8-methoxy-9-diethylaminomethyl-11H-indolo[3,2-c]quinoline; (3-chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl-diethyl-amine; 3-Chloro-8-methoxy-9-[(diethylamino)methyl]-11H-indolo[3,2-c]quinoline; N-[(3-chloranyl-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethyl-ethanamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317605	.	.	.	.	367.9	C21H22ClN3O	41.2	474	4.8	26	1	3	5	"InChI=1S/C21H22ClN3O/c1-4-25(5-2)12-13-8-19-16(10-20(13)26-3)17-11-23-18-9-14(22)6-7-15(18)21(17)24-19/h6-11,24H,4-5,12H2,1-3H3"	CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl	LLEAEDYSPVHUEP-UHFFFAOYSA-N
DG52319	Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate	330275	NSC317615; NSC-317615	.	.	Investigative Drug(s)	Investigative	Small molecular drug	317615	.	.	.	.	331.4	C17H17NO4S	97.4	393	4	23	0	5	7	"InChI=1S/C17H17NO4S/c1-2-22-17(19)14-10-6-7-11-15(14)23-16(12-18(20)21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3"	CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2	ZBRQQRZXDOZYEO-UHFFFAOYSA-N
DG52320	"(1,3-Dithietan-2-ylidene)(nitro)acetonitrile"	330355	"38042-13-6; NSC318460; DTXSID70317571; ZINC1571936; NSC-318460; Acetonitrile,3-dithietan-2-ylidenenitro-; (1,3-Dithietan-2-ylidene)(nitro)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318460	.	.	.	.	174.2	C4H2N2O2S2	120	240	1.4	10	0	5	0	InChI=1S/C4H2N2O2S2/c5-1-3(6(7)8)4-9-2-10-4/h2H2	C1SC(=C(C#N)[N+](=O)[O-])S1	NOKRHONZSZUEHQ-UHFFFAOYSA-N
DG52321	Marasmic acid	330358	"Marasmic acid; (+)-Marmasmic acid; CHEBI:6692; NSC318506; 2212-99-9; CHEMBL1986451; DTXSID70944765; LMPR0103620002; NSC-318506; NCI60_002734; C09701; Q27107298; 3-Hydroxy-7,7-dimethyl-1-oxo-6,7,8,8a-tetrahydro-1H,3H,5aH-3a,8b-methanoindeno[4,5-c]furan-4-carbaldehyde; 3H,8b-Methano-1H-indeno[4,5-c]furan-4-carboxaldehyde, 5a,7,8,8a-tetrahydro-3-hydroxy-7,7-dimethyl-1-oxo-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318506	.	.	.	.	262.3	C15H18O4	63.6	534	1.5	19	1	4	1	"InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11 ,14+,15-/m1/s1"	CC1(C[C@H]2C=C([C@]34C[C@@]3([C@H]2C1)C(=O)OC4O)C=O)C	BIUVCPLWWOLECJ-LIHVSQBMSA-N
DG52322	"2(1H)-Pyrimidinone, 5-fluoro-1-beta-D-ribofuranosyl-"	330359	"64967-16-4; NSC318509; CHEMBL112913; DTXSID60983527; NSC-318509; NCI60_002735; 5-Fluoro-1-pentofuranosylpyrimidin-2(1H)-one; 2(1H)-Pyrimidinone, 5-fluoro-1-.beta.-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318509	.	.	.	.	246.19	C9H11FN2O5	103	386	-1.5	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-4-1-11-9(16)12(2-4)8-7(15)6(14)5(3-13)17-8/h1-2,5-8,13-15H,3H2"	C1=C(C=NC(=O)N1C2C(C(C(O2)CO)O)O)F	BISROEGZKWHITE-UHFFFAOYSA-N
DG52323	"2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	330385	"NSC318538; MLS002701808; NSC-318538; 69754-53-6; NCIStruc1_000879; NCIStruc2_000861; CHEMBL1335862; DTXSID60317580; CCG-36762; NCGC00014718; NCI318538; ZINC22912970; NCGC00014718-02; NCGC00097819-01; NCI60_002736; SMR001565402; 2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318538	.	.	.	.	294.5	C8H14N4S4	150	307	1.2	16	3	7	3	"InChI=1S/C8H14N4S4/c1-13-8(14-6-9-2-3-10-6)15-7(16-8)11-4-5-12-7/h11-12H,2-5H2,1H3,(H,9,10)"	CSC1(SC2(S1)NCCN2)SC3=NCCN3	XCQBEENDHMMMRU-UHFFFAOYSA-N
DG52324	"5-Fluorouridine,2',3',5'-tri-O-acetyl"	330408	"55474-11-8; NSC318800; ChemDiv1_019526; Oprea1_543347; CBDivE_001808; MLS001075975; CHEMBL1487531; HMS642H12; DTXSID80317587; DTXSID90877804; HMS2784E10; AKOS001010765; AKOS016876596; MCULE-5593413354; NSC-318800; NCI60_002740; SMR000473058; 5-FLUOROURIDINE,2',3',5'-TRI-O-ACETYL; SR-01000401363; SR-01000401363-1; T0503-5798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	318800	.	.	.	.	388.3	C15H17FN2O9	138	707	-0.2	27	1	10	8	"InChI=1S/C15H17FN2O9/c1-6(19)24-5-10-11(25-7(2)20)12(26-8(3)21)14(27-10)18-4-9(16)13(22)17-15(18)23/h4,10-12,14H,5H2,1-3H3,(H,17,22,23)"	CC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C	GWZWJYSFWAOCJZ-UHFFFAOYSA-N
DG52325	"1-(4-Chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea"	330430	"MLS003115954; NSC319023; CHEMBL2143356; ZINC640682; 1-(4-CHLORO-7-METHOXY-2-QUINOLYL)-3-(2,6-XYLYL)UREA; 1-(4-chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea; AKOS024431151; MCULE-3830237346; NSC-319023; 196875-45-3; SMR000739416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319023	.	.	.	.	355.8	C19H18ClN3O2	63.2	454	4.4	25	2	3	3	"InChI=1S/C19H18ClN3O2/c1-11-5-4-6-12(2)18(11)23-19(24)22-17-10-15(20)14-8-7-13(25-3)9-16(14)21-17/h4-10H,1-3H3,(H2,21,22,23,24)"	CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl	BPKXTUAMQCILGN-UHFFFAOYSA-N
DG52326	"6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carbonitrile"	330469	"85619-11-0; OEG3LD2WZG; UNII-OEG3LD2WZG; NSC319073; 6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carbonitrile; 6-Benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carbonitrile; NSC 319073; 6-Benzyl-1-cyanoellipticine; CHEMBL1981095; DTXSID50234858; NSC-319073; NCI60_002745; 6-benzyl-5,11-dimethyl-pyrido[4,3-b]carbazole-1-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319073	.	.	.	.	361.4	C25H19N3	41.6	602	5.9	28	0	2	2	"InChI=1S/C25H19N3/c1-16-19-12-13-27-21(14-26)23(19)17(2)24-20-10-6-7-11-22(20)28(25(16)24)15-18-8-4-3-5-9-18/h3-13H,15H2,1-2H3"	CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C#N	ZIJDDIPODSODGY-UHFFFAOYSA-N
DG52327	"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	330472	"33386-39-9; NSC319078; CHEMBL1988208; DTXSID40317604; ZINC5648436; NSC-319078; 2-[2-hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319078	.	.	.	.	422.5	C21H34N4O5	109	442	1.9	30	3	9	15	"InChI=1S/C21H34N4O5/c1-4-28-17-14-16-18(20(30-6-3)19(17)29-5-2)23-15-24-21(16)22-8-7-9-25(10-12-26)11-13-27/h14-15,26-27H,4-13H2,1-3H3,(H,22,23,24)"	CCOC1=C(C(=C2C(=C1)C(=NC=N2)NCCCN(CCO)CCO)OCC)OCC	MMZXVKQSUKESED-UHFFFAOYSA-N
DG52328	"4-Chloro-6,7,8-triethoxyquinazoline"	330473	MLS000757001; NSC319079; CHEMBL1330680; HMS2884H11; ZINC1572056; NSC-319079; SMR000528923	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319079	.	.	.	.	296.75	C14H17ClN2O3	53.5	296	3.5	20	0	5	6	"InChI=1S/C14H17ClN2O3/c1-4-18-10-7-9-11(16-8-17-14(9)15)13(20-6-3)12(10)19-5-2/h7-8H,4-6H2,1-3H3"	CCOC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OCC)OCC	YJGWAHWRTHRYHP-UHFFFAOYSA-N
DG52329	10-[(4-Methoxyphenyl)methylsulfanyl]-8-oxo-11-thia-7-azaspiro[5.5]undec-9-ene-9-carbonitrile	330499	NSC319434; MLS003115971; NSC-319434; Maybridge4_000689; NCIStruc1_001805; NCIStruc2_001469; Oprea1_349450; CHEMBL1608779; HMS1522P07; ZINC1045524; CCG-37402; CCG-45267; NCGC00014722; NCI319434; MCULE-2900104924; 10-[(4-methoxyphenyl)methylsulfanyl]-8-oxo-11-thia-7-azaspiro[5.5]undec-9-ene-9-carbonitrile; IDI1_031271; NCGC00014722-02; NCGC00014722-03; NCGC00097823-01; NCGC00097823-02; NCI60_002748; SMR001831531; SR-01000635047-1; 2-((4-methoxybenzyl)thio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile; 2-(4-Methoxy-benzylsulfanyl)-4-oxo-1-thia-5-aza-spiro[5.5]undec-2-ene-3-carbonitrile	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319434	.	.	.	.	360.5	C18H20N2O2S2	113	553	3.9	24	1	5	4	"InChI=1S/C18H20N2O2S2/c1-22-14-7-5-13(6-8-14)12-23-17-15(11-19)16(21)20-18(24-17)9-3-2-4-10-18/h5-8H,2-4,9-10,12H2,1H3,(H,20,21)"	COC1=CC=C(C=C1)CSC2=C(C(=O)NC3(S2)CCCCC3)C#N	SWHYBQCQUXPGBH-UHFFFAOYSA-N
DG52330	"4-(7-Methyl-4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)benzoic acid"	330505	"NSC319440; NSC-319440; Maybridge3_000858; Oprea1_448592; CHEMBL1968478; HMS1433G22; 4-(7-methyl-4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)benzoic acid; CCG-243603; MCULE-1889194825; IDI1_012245; NCI60_002749"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319440	.	.	.	.	304.3	C19H16N2O2	54.3	447	3.5	23	2	3	2	"InChI=1S/C19H16N2O2/c1-12-4-9-16-15(11-12)20-18(17-3-2-10-21(16)17)13-5-7-14(8-6-13)19(22)23/h2-11,18,20H,1H3,(H,22,23)"	CC1=CC2=C(C=C1)N3C=CC=C3C(N2)C4=CC=C(C=C4)C(=O)O	LYIUGKBSPWTUGL-UHFFFAOYSA-N
DG52331	2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one	330512	NSC319447; NSC-319447; 2-(((2-aminophenyl)thio)methyl)-3-methoxy-9H-xanthen-9-one; 2-{[(2-Aminophenyl)thio]methyl}-3-methoxy-9H-xanthen-9-one; NCIStruc1_001885; CHEMBL1995662; ZINC3954566; NCGC00014725; NCGC00014725-02; NCGC00097826-01; NCI60_002751; 2-[(2-aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319447	.	.	.	.	363.4	C21H17NO3S	86.8	502	4.3	26	1	5	4	"InChI=1S/C21H17NO3S/c1-24-18-11-19-15(21(23)14-6-2-4-8-17(14)25-19)10-13(18)12-26-20-9-5-3-7-16(20)22/h2-11H,12,22H2,1H3"	COC1=CC2=C(C=C1CSC3=CC=CC=C3N)C(=O)C4=CC=CC=C4O2	VMGAYMORJUGJIC-UHFFFAOYSA-N
DG52332	"6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate"	330531	"6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate; NSC319467; Maybridge3_004599; Oprea1_078288; CHEMBL1965803; ZINC72907; CCG-592; HMS1444B01; MCULE-7467063126; NSC-319467; IDI1_015986; NCI60_002753; SR-01000639139-1; 6-Chloro-4-methyl-2-oxo-2H-chromen-7-yl dimethylcarbamate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319467	.	.	.	.	281.69	C13H12ClNO4	55.8	421	2.2	19	0	4	2	"InChI=1S/C13H12ClNO4/c1-7-4-12(16)18-10-6-11(9(14)5-8(7)10)19-13(17)15(2)3/h4-6H,1-3H3"	CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)N(C)C	JDSSHYLDLJBBRE-UHFFFAOYSA-N
DG52333	3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole	330583	NSC319662; CHEMBL2001373; ZINC5386669; NSC-319662; 3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319662	.	.	.	.	178.15	C7H6N4O2	84.1	201	0.1	13	1	5	1	"InChI=1S/C7H6N4O2/c1-4-6(10-12)7(9-8-4)5-2-3-13-11-5/h2-3H,1H3,(H,8,9)"	CC1=C(C(=NN1)C2=NOC=C2)N=O	ZFRMBJNWECXXLQ-UHFFFAOYSA-N
DG52334	"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione"	330812	"NSC320209; NSC-320209; NCIStruc1_001727; NCIStruc2_001587; Oprea1_199022; CHEMBL1526358; ZINC8716829; CCG-37404; NCGC00014730; NCI320209; NCGC00014730-02; NCGC00097831-01; NCI60_002765; 2-[(2,3-dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320209	.	.	.	.	400.5	C23H28O6	109	633	2.5	29	2	6	3	"InChI=1S/C23H28O6/c1-22(2)8-14(25)19(15(26)9-22)18(12-6-5-7-13(24)21(12)29)20-16(27)10-23(3,4)11-17(20)28/h5-7,18-20,24,29H,8-11H2,1-4H3"	CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(C(=CC=C3)O)O)C	MQECCVSOXCCXSI-UHFFFAOYSA-N
DG52335	1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea	330820	MLS000758452; NSC320218; CHEMBL1491479; HMS2885B10; ZINC5390471; NSC-320218; SMR000528930	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320218	.	.	.	.	388.4	C22H20N4O3	91.9	609	4.4	29	2	3	3	"InChI=1S/C22H20N4O3/c1-3-25-20-7-5-4-6-17(20)18-13-15(8-11-21(18)25)23-22(27)24-19-10-9-16(26(28)29)12-14(19)2/h4-13H,3H2,1-2H3,(H2,23,24,27)"	CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C41	BRZZHGSWUIVSIU-UHFFFAOYSA-N
DG52336	Colchicine deriv	330851	"UNII-56PC0J2FKW; 76129-16-3; NSC320301; 56PC0J2FKW; COLCHICINE DERIV; IDN-5005; MLS002703053; IDN 5005; NSC 320301; BRN 5318221; N-(Trifluoroacetyl)deacetylthiocolchicine; CHEMBL280392; DTXSID60997482; ZINC3961393; NSC-320301; 2,2,2-trifluoro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide; Acetamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, (S)-; NCI60_002767; 17,17-TRIFLUORO-10-THIOCOLCHICINE; Q27261418; 10-Demethoxy-10-(methylthio)-17,17,17-trifluorocolchicine; 2,2,2-Trifluoro-N-[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid; Acetamide, 2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-; Acetamide,2,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-; Acetamide,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320301	.	.	.	.	469.5	C22H22F3NO5S	99.2	838	2.9	32	1	9	5	"InChI=1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC	LNELBQZKXVASLW-AWEZNQCLSA-N
DG52337	(1-Aminocyclohexyl)phosphonic acid	330854	"(1-aminocyclohexyl)phosphonic acid; 67398-11-2; 1-aminocyclohexylphosphonic acid; NSC320308; NSC-320308; NCIStruc1_000256; NCIStruc2_000306; SCHEMBL5918886; CHEMBL1374143; DTXSID60986674; ZINC1572442; CCG-37912; NCGC00014732; NCI320308; AKOS015892981; NCGC00014732-02; NCGC00097833-01; NCI60_002768; DB-017880; Phosphonic acid,(1-aminocyclohexyl)-(9ci); FT-0641123"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320308	.	.	.	.	179.15	C6H14NO3P	83.6	182	-3.1	11	3	4	1	"InChI=1S/C6H14NO3P/c7-6(11(8,9)10)4-2-1-3-5-6/h1-5,7H2,(H2,8,9,10)"	C1CCC(CC1)(N)P(=O)(O)O	VMSRCTIIPRWCGJ-UHFFFAOYSA-N
DG52338	"6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carboxamide"	330922	"85619-29-0; NSC320613; UNII-3VL8VB55X4; 3VL8VB55X4; 6-Benzyl-5,11-dimethyl-6H-pyrido(4,3-b)carbazole-1-carboxamide; 6-Benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide; NSC 320613; CHEMBL1969018; DTXSID10234859; ZINC1572502; NSC-320613; NCI60_002772; 6-benzyl-5,11-dimethyl-pyrido[4,3-b]carbazole-1-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320613	.	.	.	.	379.5	C25H21N3O	60.9	603	5.1	29	1	2	3	"InChI=1S/C25H21N3O/c1-15-18-12-13-27-23(25(26)29)21(18)16(2)22-19-10-6-7-11-20(19)28(24(15)22)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H2,26,29)"	CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C(=O)N	VODKCENRSZZLTO-UHFFFAOYSA-N
DG52339	Bishelenalinyl malonate	330973	"Bis(helenalinyl) malonate; MLS000728515; SMR000445629; BISHELENALINYL MALONATE; cid_330973; CHEMBL1566610; BDBM54827; HMS2218L22; NSC320951; NSC-320951; NCGC00247555-01; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] propanedioate; NCI60_002781; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] propanedioate; malonic acid bis[(3aR,5R,5aR,8aR,9S,9aR)-2,8-diketo-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester; propanedioic acid bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	320951	.	.	.	.	592.6	C33H36O10	139	1330	3.9	43	0	10	6	"InChI=1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18+,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)CC(=O)O[C@H]4[C@H]5[C@@H](C[C@H]([C@H]6[C@]4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2	YTQIEACOYYTJSM-SGTGAOPFSA-N
DG52340	Zexbrevin	331148	ZEXBREVIN; NSC321477; 28644-86-2; CHEMBL1988590; DTXSID90317876; NSC-321477; NCI60_002783	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321477	.	.	.	.	346.4	C19H22O6	78.9	717	2.7	25	0	6	3	"InChI=1S/C19H22O6/c1-9(2)17(21)24-14-8-19(5)15(20)7-12(25-19)10(3)6-13-16(14)11(4)18(22)23-13/h7,10,13-14,16H,1,4,6,8H2,2-3,5H3"	CC1CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2	KYTKEOOPALLADL-UHFFFAOYSA-N
DG52341	"4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline"	331156	"NSC321491; MLS000758458; CHEMBL1406170; HMS2886D07; ZINC1323776; NSC-321491; 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline; SMR000528931; (6-Chloro-4H-1,3-benzodioxin-8-yl)methyl pyrrolo[1,2-a]quinoxalin-4-yl sulfide; 4-(((6-Chloro-4H-1,3-benzodioxin-8-yl)methyl)thio)pyrrolo[1,2-a]quinoxaline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321491	.	.	.	.	382.9	C20H15ClN2O2S	61.1	498	5.3	26	0	4	3	"InChI=1S/C20H15ClN2O2S/c21-15-8-13-10-24-12-25-19(13)14(9-15)11-26-20-18-6-3-7-23(18)17-5-2-1-4-16(17)22-20/h1-9H,10-12H2"	C1C2=C(C(=CC(=C2)Cl)CSC3=NC4=CC=CC=C4N5C3=CC=C5)OCO1	GFEARZNFPWFVSH-UHFFFAOYSA-N
DG52342	N-(4-cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea	331212	NSC321785; NSC-321785; NCIStruc1_000863; NCIStruc2_000747; CHEMBL1447428; ZINC1572811; CCG-36827; NCGC00014748; NCI321785; NCGC00014748-02; NCGC00097849-01; NCI60_002791; N-(4-cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	321785	.	.	.	.	260.22	C12H9FN4O2	91	383	2	19	2	5	2	"InChI=1S/C12H9FN4O2/c1-7-8(6-14)11(19-17-7)16-12(18)15-10-5-3-2-4-9(10)13/h2-5H,1H3,(H2,15,16,18)"	CC1=NOC(=C1C#N)NC(=O)NC2=CC=CC=C2F	XKXNHDFGHFCRBG-UHFFFAOYSA-N
DG52343	Coaracine (racemic)	331290	Coaracine (racemic); NSC323229; CHEMBL29319; NSC322099; NSC323230; NSC-322099; NSC-323229; NSC-323230; NCI60_002803; NCI60_002804	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323229	.	.	.	.	262.26	C10H18N2O6	123	315	-2.4	18	5	6	2	"InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)"	C1CN(C(=O)NCC1O)C2C(C(C(O2)CO)O)O	QHDXLNWQRHMXSE-UHFFFAOYSA-N
DG52344	"2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione"	331314	"NSC322355; 69286-17-5; 2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione; NSC 322355; CHEMBL1981077; DTXSID70989010; NSC-322355; NCI60_002798; 9, 1,2,3,4-tetrahydro- 2,3,5,8-tetrahydroxy-2-methyl-, cis-; 2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione; 2,3,5,8-tetrahydroxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	322355	.	.	.	.	290.27	C15H14O6	115	514	1.1	21	4	6	0	"InChI=1S/C15H14O6/c1-15(21)5-7-6(4-10(15)18)13(19)11-8(16)2-3-9(17)12(11)14(7)20/h2-3,10,18-21H,4-5H2,1H3"	CC1(CC2=C(CC1O)C(=C3C(=O)C=CC(=O)C3=C2O)O)O	PPLKCVVBJTYAFT-UHFFFAOYSA-N
DG52345	NSC323721	331402	"[5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NSC323721; CHEMBL1965001; NSC-323721; NCI60_002807; [5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323721	.	.	.	.	1352.1	C60H60Cl4FN11O12S2	360	2600	.	90	6	23	17	"InChI=1S/C38H31Cl4N11O7S2.C22H29FO5/c1-19-16-31(45-21(3)43-19)52-61(56,57)25-12-8-23(9-13-25)48-50-29-18-30(34(60-38(55)36(41)42)27-6-5-7-28(33(27)29)47-37(54)35(39)40)51-49-24-10-14-26(15-11-24)62(58,59)53-32-17-20(2)44-22(4)46-32;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h5-18,35-36H,1-4H3,(H,47,54)(H,43,45,52)(H,44,46,53);6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC(=NC(=C6)C)C	LQOMYOJYLKGJCF-UHFFFAOYSA-N
DG52346	NSC323722	331404	"[5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; NSC323722; CHEMBL1990643; NSC-323722; NCI60_002808; [5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]azo]-1-naphthyl] 2,2-dichloroacetate; 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; Acetic acid, dichloro-, 5-[(2,2-dichloroacetyl)amino]-2,4-bis[(E)-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl]phenyl]azo]-1-naphthalenyl ester, compd. with 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323722	.	.	.	.	1336.1	C54H52Cl4FN11O12S4	417	2500	.	86	6	25	17	"InChI=1S/C32H23Cl4N11O7S4.C22H29FO5/c1-15-38-44-31(55-15)46-57(50,51)19-10-6-17(7-11-19)40-42-23-14-24(43-41-18-8-12-20(13-9-18)58(52,53)47-32-45-39-16(2)56-32)26(54-30(49)28(35)36)21-4-3-5-22(25(21)23)37-29(48)27(33)34;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h3-14,27-28H,1-2H3,(H,37,48)(H,44,46)(H,45,47);6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3"	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NN=C(S6)C	ODDSNXMAAJTFSD-UHFFFAOYSA-N
DG52347	"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)"	331439	"NSC323918; CHEMBL1969935; BDBM123836; NSC-323918; 4-(3,4-dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	323918	.	.	.	.	308.12	C13H7Cl2N3O2	93.8	498	1.9	20	1	4	1	"InChI=1S/C13H7Cl2N3O2/c14-9-2-1-6(3-10(9)15)11-7(4-16)12(19)18-13(20)8(11)5-17/h1-3,7-8,11H,(H,18,19,20)"	C1=CC(=C(C=C1C2C(C(=O)NC(=O)C2C#N)C#N)Cl)Cl	FKRWRZZGZMUCSG-UHFFFAOYSA-N
DG52348	Acnistin E	331499	"Acnistin E; NSC324043; Acnistin-E; 76994-39-3; CHEMBL2373915; DTXSID80998279; NSC-324043; NCI60_002812; 4,17-Dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-5,6-epoxyandrost-2-en-1-one; Androst-2-en-1-one,6-epoxy-4,17-dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]oct-7-yl)-, [4.beta.,5.beta.,6.beta.,17.beta.,17(1R,4R,5R,7S)]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	324043	.	.	.	.	486.6	C28H38O7	117	1070	2	35	3	7	1	"InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17-,18 ,20-,21+,23 ,24-,25-,26-,27+,28+/m0/s1"	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([C@H]4CC5(CC4OC(=O)[C@]5(C)O)C)O)C[C@@H]6[C@]7([C@@]3(C(=O)C=C[C@@H]7O)C)O6	FKQUQCYOBZEPTK-SXUGLQBDSA-N
DG52349	N-pyren-1-ylbenzenesulfonamide	331581	NSC325268; CHEMBL1976758; ZINC1573337; NSC-325268	.	.	Investigative Drug(s)	Investigative	Small molecular drug	325268	.	.	.	.	357.4	C22H15NO2S	54.6	606	5.6	26	1	3	3	"InChI=1S/C22H15NO2S/c24-26(25,18-7-2-1-3-8-18)23-20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h1-14,23H"	C1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2	HYVGZKMKDJGPNL-UHFFFAOYSA-N
DG52350	"5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine"	331715	"NSC326182; MLS000758472; 5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine; NSC-326182; 67829-24-7; NCIStruc1_001809; NCIStruc2_001591; CHEMBL1496125; DTXSID00318112; CHEBI:107835; HMS2886M24; ZINC1573467; CCG-37086; NCGC00014753; NCI326182; NCGC00014753-02; NCGC00097854-01; NCI60_002824; SMR000528936; DS-008804; Q27186171; 5-(Benzo[d][1,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326182	.	.	.	.	309.32	C17H15N3O3	69.4	411	3.8	23	1	6	3	"InChI=1S/C17H15N3O3/c1-10-3-5-13(11(2)7-10)18-17-20-19-16(23-17)12-4-6-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H,18,20)"	CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C	SWIUQBFXLZSMJW-UHFFFAOYSA-N
DG52351	Isoepoxydon	331736	"Isoepoxydon; Epiepoxydon; NSC326233; 67772-76-3; (+)-epiepoxydon; (+)-isoepoxydon; (+)-Epiepoxydone; EPOXYDON, EPI-; CHEMBL443078; SCHEMBL13612145; VTLJDPHPVHSVGR-JHYUDYDFSA-; CHEBI:145109; ISOMER OF EPOXYDON 93049; NSC-326233; NCI60_002828; (4R,5S,6S)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one; (4S,5R,6R)-5,6-epoxy-4-hydroxy-2-hydroxymethylcyclohex-2-en-1-one; (1R,5S,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326233	.	.	.	.	156.14	C7H8O4	70.1	233	-1.1	11	2	4	1	"InChI=1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2/t4-,6+,7-/m0/s1"	C1=C(C(=O)[C@H]2[C@@H]([C@H]1O)O2)CO	VTLJDPHPVHSVGR-JHYUDYDFSA-N
DG52352	"3-(3-(2-(1H-pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	331761	"NSC326374; NSC-326374; NCIStruc1_000823; NCIStruc2_000945; CHEMBL1335436; ZINC1573513; CCG-36829; NCGC00014756; NCI326374; NCGC00014756-02; NCGC00097857-01; NCI60_002829; 3-(3-(2-(1H-pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326374	.	.	.	.	283.28	C15H13N3O3	81.2	360	2	21	1	5	5	"InChI=1S/C15H13N3O3/c19-14(20)8-7-13-16-15(17-21-13)11-5-1-2-6-12(11)18-9-3-4-10-18/h1-6,9-10H,7-8H2,(H,19,20)"	C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)O)N3C=CC=C3	JVCZPUTWXTXJRK-UHFFFAOYSA-N
DG52353	Rocaglamide	331783	"Rocaglamide; 84573-16-0; C29H31NO7; MLS002701812; CHEMBL438139; CHEBI:66309; NSC326408; Roc-A; NSC 326408; (-)-(1alpha,2alpha,3beta,3abeta,8bbeta)-2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta(b)benzofuran-2-carboxamide; (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide; (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide; UNII-FRG4N852F7; FRG4N852F7; (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide; ROCAGLAMIDE (FR AGLAIA ELLIPTIFOLIA); Rocaglamide; Rocaglamide A; SCHEMBL752144; DTXSID101004852; 1H-Cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-; EX-A3220; ZINC5664046; BDBM50196926; s7428; AT25539; CS-5246; DB15495; NSC-326408; AS-79589; HY-19356; NCI60_002832; SMR001565405; W1065; B603847K064; Q3437403; BRD-K97248244-001-01-8; BRD-K97248244-001-02-6; (1R,2R,3S,3aR,8bS)-2,3,3a,8b-Tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-1H-cyclopenta[b]benzofuran-2-carboxamide; 1,8b-Dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-2-carboxamide; 117894-34-5; 1H-Cyclopenta[b]benzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-, [1R-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)]-; 1H-Cyclopenta[b]benzofuran-2-carboxamide,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-,(1R,2R,3S,3aR,8bS)-; RCG"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326408	.	.	.	.	505.6	C29H31NO7	97.7	810	2.8	37	2	7	6	"InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1"	CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5	DAPAQENNNINUPW-IDAMAFBJSA-N
DG52354	[4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone	331833	"15517-46-1; [4-(4-Hydroxy-benzoyl)-phenyl]-(4-hydroxy-phenyl)-methanone; MLS000758486; [4-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone; MLS000523326; 1,4-phenylenebis((4-hydroxyphenyl)methanone); NSC-326757; SMR000123304; 1,4-bis(4-hydroxybenzoyl)-benzene; NSC326757; Oprea1_508083; Oprea1_534834; SCHEMBL699850; 4,4'-(Terephthaloyl)bisphenol; cid_331833; CHEMBL1368535; BDBM57056; DTXSID60318158; 1,4-bis(4-hydroxybenzoyl)benzene; HMS2427P18; ZINC332365; AKOS000746577; DS-000288; Methanone,1,1-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-; (4-hydroxyphenyl)-[4-(4-hydroxyphenyl)carbonylphenyl]methanone; (4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-oxomethyl]phenyl]methanone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	326757	.	.	.	.	318.3	C20H14O4	74.6	395	3.9	24	2	4	4	"InChI=1S/C20H14O4/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12,21-22H"	C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O	ADUODNZKKNUWBZ-UHFFFAOYSA-N
DG52355	"3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine"	332058	"NSC327702; MLS000758488; NSC-327702; 59851-31-9; NCIStruc1_001681; NCIStruc2_001424; Oprea1_278914; 3-benzylsulfanylphenanthro[9,10-e][1,2,4]triazine; CHEMBL1358395; SCHEMBL20211617; DTXSID00318238; ZINC1573829; CCG-36965; NCGC00014759; NCI327702; NCGC00014759-02; NCGC00097860-01; NCI60_002844; SMR000528941; benzyl phenanthro[9,10-e][1,2,4]triazin-3-yl sulfide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327702	.	.	.	.	353.4	C22H15N3S	64	466	4.6	26	0	4	3	"InChI=1S/C22H15N3S/c1-2-8-15(9-3-1)14-26-22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-25-22/h1-13H,14H2"	C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2	VNLBCJYVPMIDDO-UHFFFAOYSA-N
DG52356	"2-Chloro-3-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)naphthoquinone"	332061	"NSC327705; NSC-327705; NCIStruc1_001899; NCIStruc2_001760; SCHEMBL8738969; CHEMBL1317986; ZINC1573832; CCG-37780; NCGC00014761; NCI327705; NCGC00014761-02; NCGC00097862-01; NCI60_002846; 2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)naphthoquinone; 2-chloro-3-(phenanthro[9,2,4]triazin 3-ylthio)naphthalene-1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	327705	.	.	.	.	453.9	C25H12ClN3O2S	98.1	819	6.1	32	0	6	2	InChI=1S/C25H12ClN3O2S/c26-19-22(30)17-11-5-6-12-18(17)23(31)24(19)32-25-27-20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)21(20)28-29-25/h1-12H	C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl	LTXPJUHAUKZMOA-UHFFFAOYSA-N
DG52357	3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide	332278	"NSC328477; 73544-88-4; NCIMech_000459; 3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide; SCHEMBL7161319; CHEMBL1984810; DTXSID60994315; Benzamide, N-(3-chloro-2-methylphenyl)-2-hydroxy-3-nitro-; ZINC1574109; CCG-35594; 3'-Chloro-3-nitro-o-salicylotoluidide; NSC 328477; NSC-328477; NCI60_002857; 2'-Methyl-3'-chloro-2-hydroxy-3-nitrobenzanilide; N-(3-Chloro-2-methylphenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	328477	.	.	.	.	306.7	C14H11ClN2O4	95.2	401	3.8	21	2	4	2	"InChI=1S/C14H11ClN2O4/c1-8-10(15)5-3-6-11(8)16-14(19)9-4-2-7-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)"	CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O	AHMRPRVEPUCPGA-UHFFFAOYSA-N
DG52358	"2-Nitrofuro[3,2-e][1]benzofuran"	332389	MLS003170757; 69267-54-5; NSC329125; CHEMBL2360144; DTXSID70318346; ZINC1574574; NSC-329125; SMR001874675	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329125	.	.	.	.	203.15	C10H5NO4	72.1	277	2.9	15	0	4	0	InChI=1S/C10H5NO4/c12-11(13)10-5-7-6-3-4-14-8(6)1-2-9(7)15-10/h1-5H	C1=CC2=C(C=C(O2)[N+](=O)[O-])C3=C1OC=C3	CIZQUNGDZXJWAU-UHFFFAOYSA-N
DG52359	"2,4-Dinitro-1-benzofuran"	332391	"69227-68-5; 2,4-dinitro-benzofuran; 2,4-dinitro-1-benzofuran; NSC329127; CHEMBL1987400; DTXSID90318348; ZINC5665041; NSC-329127; NCI60_002870"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329127	.	.	.	.	208.13	C8H4N2O5	105	284	2.3	15	0	5	0	InChI=1S/C8H4N2O5/c11-9(12)6-2-1-3-7-5(6)4-8(15-7)10(13)14/h1-4H	C1=CC(=C2C=C(OC2=C1)[N+](=O)[O-])[N+](=O)[O-]	MOECQHRJENTFOF-UHFFFAOYSA-N
DG52360	"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea"	332430	MLS000758505; NSC329250; CHEMBL1546888; ZINC5665089; NSC-329250; SMR000528947	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329250	.	.	.	.	348.8	C14H9ClN4O3S	128	464	3.7	23	2	5	2	"InChI=1S/C14H9ClN4O3S/c15-9-7-8(19(21)22)5-6-10(9)16-13(20)18-14-17-11-3-1-2-4-12(11)23-14/h1-7H,(H2,16,17,18,20)"	C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl	BWAZHNWZEVIGBV-UHFFFAOYSA-N
DG52361	N-(9H-carbazol-3-yl)-2-chlorobenzamide	332432	NSC329252; ZINC1574617; NSC-329252	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329252	.	.	.	.	320.8	C19H13ClN2O	44.9	443	4.8	23	2	1	2	"InChI=1S/C19H13ClN2O/c20-16-7-3-1-6-14(16)19(23)21-12-9-10-18-15(11-12)13-5-2-4-8-17(13)22-18/h1-11,22H,(H,21,23)"	C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl	SSHWWXLYKNRZGV-UHFFFAOYSA-N
DG52362	"N-(fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide"	332453	MLS003170766; NSC329273; ZINC1574643; AKOS001016184; MCULE-9421180956; NSC-329273; SMR001874684	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329273	.	.	.	.	388.4	C23H20N2O4	69.2	572	4.4	29	1	5	5	"InChI=1S/C23H20N2O4/c1-27-19-12-14(13-20(28-2)22(19)29-3)23(26)25-24-21-17-10-6-4-8-15(17)16-9-5-7-11-18(16)21/h4-13H,1-3H3,(H,25,26)"	COC1=CC(=CC(=C1OC)OC)C(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42	MXJCYBCMOGMSEC-UHFFFAOYSA-N
DG52363	"N-[(5,7-dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide"	332467	CHEMBL1958459; NSC329287; SCHEMBL14075845; BDBM50484788; ZINC17126321; NSC-329287; NCI60_002876	.	.	Investigative Drug(s)	Investigative	Small molecular drug	329287	.	.	.	.	384.2	C15H11Cl2N3O3S	103	575	5	24	2	5	3	"InChI=1S/C15H11Cl2N3O3S/c1-8-2-4-10(5-3-8)24(22,23)20-19-14-11-6-9(16)7-12(17)13(11)18-15(14)21/h2-7,18,21H,1H3"	CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O	ZJYHIQWOXPZVSJ-UHFFFAOYSA-N
DG52364	"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione"	332594	"69875-44-1; NSC330271; DTXSID20318412; 3-cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione; ZINC17126591; ZINC104215312; NSC-330271; 3-Cyclohexyl-2-(cyclohexylimino)-2,3-dihydro-6-phenyl-4H-1,3,5-oxadiazine-4-thione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330271	.	.	.	.	369.5	C21H27N3OS	69.3	556	5.8	26	0	3	3	"InChI=1S/C21H27N3OS/c26-21-23-19(16-10-4-1-5-11-16)25-20(22-17-12-6-2-7-13-17)24(21)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2"	C1CCC(CC1)N=C2N(C(=S)N=C(O2)C3=CC=CC=C3)C4CCCCC4	QRHQIOYWEQJXOH-UHFFFAOYSA-N
DG52365	"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine"	332598	"NSC330465; CHEMBL49246; 113494-48-7; CHEMBL56311; DTXSID40318414; ZINC1574819; BDBM50058394; ZINC104215322; NSC-330465; NCI60_002890; 2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine; 5-(3-Dimethylaminoazo-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 5-[4-chloro-3-[(E)-dimethylaminoazo]phenyl]-6-ethyl-pyrimidine-2,4-diamine; ethanesulfonic salt of 5-{4-chloro-3-[(1E)-3,3-dimethyltriaz-1-enyl]phenyl}-6-ethylpyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330465	.	.	.	.	319.79	C14H18ClN7	106	378	3.1	22	2	7	4	"InChI=1S/C14H18ClN7/c1-4-10-12(13(16)19-14(17)18-10)8-5-6-9(15)11(7-8)20-21-22(2)3/h5-7H,4H2,1-3H3,(H4,16,17,18,19)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C	WFFVOYIYKQPAFS-UHFFFAOYSA-N
DG52366	Schisanterin A	332607	"SCHISANTERIN A; Schizantherin A; NSC330516; Schisantherin; Schizandrer A; Schisantherin A,(S); CHEMBL1704343; HMS3885I10; Schisantherin A, >=98% (HPLC); s3880; CCG-208608; NSC-330516; NCGC00163664-01; Gomisin, 98%, from Schisandra chinensis; LS-15282; NCI60_002892; FT-0686703; FT-0775350; SR-05000002172; Q-100675; SR-05000002172-2; 6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate #; Benzo[3,2-f][1,3]benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330516	.	.	.	.	536.6	C30H32O9	102	833	5	39	1	9	7	"InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3"	CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3	UFCGDBKFOKKVAC-UHFFFAOYSA-N
DG52367	NSC330753	332624	"[(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; NSC330753; [(1R,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate; Baccatin  cento; CHEMBL2005552; s3928; CCG-270153; NSC-330753; NCI60_002895"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	330753	.	.	.	.	586.6	C31H38O11	166	1200	1.2	42	3	11	7	"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1"	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C	OVMSOCFBDVBLFW-JQULDETKSA-N
DG52368	Zonarol	332671	ZONAROL; NSC331122; (+)-zonarol; CHEMBL461471; SCHEMBL2944215; NSC-331122; NCI60_002902; 39707-54-5	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331122	.	.	.	.	314.5	C21H30O2	40.5	455	6.1	23	2	2	2	"InChI=1S/C21H30O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h7-8,12,17,19,22-23H,1,5-6,9-11,13H2,2-4H3/t17-,19-,21+/m1/s1"	C[C@@]12CCCC([C@H]1CCC(=C)[C@H]2CC3=C(C=CC(=C3)O)O)(C)C	CPXDKDFWEZFRKT-QFUCXCTJSA-N
DG52369	"2,2'-[Naphthalene-2,3-diylbis(oxymethylene)]bis(oxirane)"	332711	"34898-97-0; NSC331269; SCHEMBL7789651; CHEMBL1994021; DTXSID30318463; NSC-331269; NCI60_002903; DS-000565; Oxirane,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-; Oxirane, 2,2-[2,3-naphthalendiylbis(oxymethylene)]bis-; 2,2'-[Naphthalene-2,3-diylbis(oxymethylene)]bis(oxirane)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331269	.	.	.	.	272.29	C16H16O4	43.5	302	2.5	20	0	4	6	"InChI=1S/C16H16O4/c1-2-4-12-6-16(20-10-14-8-18-14)15(5-11(12)3-1)19-9-13-7-17-13/h1-6,13-14H,7-10H2"	C1C(O1)COC2=CC3=CC=CC=C3C=C2OCC4CO4	MPYZUNNAXVBHDC-UHFFFAOYSA-N
DG52370	"7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole"	332746	"NSC331798; 70733-29-8; 7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole; 7-bromo-5-methyl-4-nitro-2,1,3-benzothiadiazole; NSC 331798; DTXSID00220988; ZINC1575063; NSC-331798; DS-009186; 2,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-; 2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331798	.	.	.	.	274.1	C7H4BrN3O2S	99.8	250	2.7	14	0	5	0	"InChI=1S/C7H4BrN3O2S/c1-3-2-4(8)5-6(10-14-9-5)7(3)11(12)13/h2H,1H3"	CC1=C(C2=NSN=C2C(=C1)Br)[N+](=O)[O-]	HUMWHYXXWVTAQW-UHFFFAOYSA-N
DG52371	2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol	332785	NSC331973; NSC-331973; CHEMBL1965393; NCI60_002910; 2-(4-morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	331973	.	.	.	.	298.4	C18H22N2O2	45.6	340	1.6	22	1	4	4	"InChI=1S/C18H22N2O2/c1-15(20-11-13-22-14-12-20)18(21,16-7-3-2-4-8-16)17-9-5-6-10-19-17/h2-10,15,21H,11-14H2,1H3"	CC(C(C1=CC=CC=C1)(C2=CC=CC=N2)O)N3CCOCC3	RCUZQOAGXSJBDW-UHFFFAOYSA-N
DG52372	2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile	332834	"NSC332186; MLS000758515; CHEMBL1449555; NSC-332186; SMR000528954; [Imino(2-imino-4-methyl-2H-naphtho[1,2-b]pyran-3-yl)methyl]malononitrile; 2-(2-imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile; 2-(Imino(2-imino-4-methyl-2H-benzo[h]chromen-3-yl)methyl)malononitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332186	.	.	.	.	300.3	C18H12N4O	105	658	3	23	2	5	2	"InChI=1S/C18H12N4O/c1-10-13-7-6-11-4-2-3-5-14(11)17(13)23-18(22)15(10)16(21)12(8-19)9-20/h2-7,12,21-22H,1H3"	CC1=C(C(=N)OC2=C1C=CC3=CC=CC=C32)C(=N)C(C#N)C#N	WJQVJKAILFHHJV-UHFFFAOYSA-N
DG52373	"1,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-"	332900	"NSC332421; ZINC13208332; NSC-332421; 1,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332421	.	.	.	.	322.3	C18H14N2O4	61.8	464	3.8	24	1	6	2	"InChI=1S/C18H14N2O4/c1-10-4-13(20-11-2-3-15-16(5-11)22-8-21-15)12-6-17-18(24-9-23-17)7-14(12)19-10/h2-7H,8-9H2,1H3,(H,19,20)"	CC1=CC(=C2C=C3C(=CC2=N1)OCO3)NC4=CC5=C(C=C4)OCO5	LCBPJTNEHPZLSA-UHFFFAOYSA-N
DG52374	"ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	332937	"NSC332471; NSC-332471; CHEMBL1966993; NCI60_002913; ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332471	.	.	.	.	356.4	C19H20N2O5	93.7	696	1.7	26	2	5	4	"InChI=1S/C19H20N2O5/c1-5-25-18(23)15-11(4)20-19(24)21-16(15)12-8-26-13-7-9(2)6-10(3)14(13)17(12)22/h6-8,16H,5H2,1-4H3,(H2,20,21,24)"	CCOC(=O)C1=C(NC(=O)NC1C2=COC3=CC(=CC(=C3C2=O)C)C)C	IJIJGOPEHCMIKT-UHFFFAOYSA-N
DG52375	"6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one"	332972	"MLS000758520; SMR000528957; 24293-67-2; NSC332670; CHEMBL1346056; SCHEMBL12160111; SCHEMBL20211621; BDBM58106; cid_5384447; DTXSID40419531; HMS2868I21; NSC793088; ZINC13130018; 6-(1,3-dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one; NSC-332670; NSC-793088; 2-(1H-Phenanthro[9,10-d]imidazole-2-yl)phenol; SR-01000760236; SR-01000760236-2; 6-(1,3-dihydrophenanthr[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one; 6-(1,3-dihydrophenanthro[9,10-d]imidazol-2-ylidene)-1-cyclohexa-2,4-dienone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332670	.	.	.	.	310.3	C21H14N2O	48.9	455	4.4	24	2	2	1	"InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)"	C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CC=C5O	USJRSBYEUBALIV-UHFFFAOYSA-N
DG52376	"Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester"	333069	"NSC332837; ZINC1575813; NSC-332837; Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	332837	.	.	.	.	378.3	C18H13Cl2NO2S	62.7	553	4.8	24	0	3	3	"InChI=1S/C18H13Cl2NO2S/c1-21(2)18(23)24-17-11-7-4-3-6-10(11)16(22)15(17)14-12(19)8-5-9-13(14)20/h3-9H,1-2H3"	CN(C)C(=O)SC1=C(C(=O)C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl	SQEJLJCVAKTETI-UHFFFAOYSA-N
DG52377	"(5-Oxido-4-thiophen-2-yl-2,3-dihydro-1,2,5-oxadiazol-5-ium-3-yl)-thiophen-2-ylmethanone"	333142	NSC333205; NSC-333205	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333205	.	.	.	.	280.3	C11H8N2O3S2	124	389	2.7	18	1	6	3	"InChI=1S/C11H8N2O3S2/c14-11(8-4-2-6-18-8)9-10(13(15)16-12-9)7-3-1-5-17-7/h1-6,9,12H"	C1=CSC(=C1)C2=[N+](ONC2C(=O)C3=CC=CS3)[O-]	UHIJPASBKABNDY-UHFFFAOYSA-N
DG52378	Phenyl gallate	333279	"phenyl gallate; 70022-13-8; Benzoic acid,3,4,5-trihydroxy-, phenyl ester; MLS003170836; phenyl 3,4,5-trihydroxybenzoate; NSC333571; SCHEMBL2495353; CHEMBL1970944; DTXSID40318656; ZINC1576053; NSC-333571; SMR001874753; DS-007164; Benzoic acid,4,5-trihydroxy-, phenyl ester; Benzoic acid, 3,4,5-trihydroxy-, phenyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	333571	.	.	.	.	246.21	C13H10O5	87	275	2.4	18	3	5	3	"InChI=1S/C13H10O5/c14-10-6-8(7-11(15)12(10)16)13(17)18-9-4-2-1-3-5-9/h1-7,14-16H"	C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O	HBZMQFJTPHSKNH-UHFFFAOYSA-N
DG52379	"9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-"	333459	"NSC334352; MLS002702881; 86455-91-6; 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-; SMR001566699; 9H-Thioxanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-; NSC 334352; Neuro_000172; CHEMBL21677; cid_333459; SCHEMBL10998783; DTXSID50235562; BDBM114643; ZINC5392992; 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one; NSC-334352; NCI60_002928; DS-009459; SR-01000879619; SR-01000879619-2; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-thioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)thioxanthen-9-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334352	.	.	.	.	344.4	C18H20N2O3S	98.1	448	1.6	24	3	6	5	"InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3"	CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O	YDQFGJFCLNZQJY-UHFFFAOYSA-N
DG52380	1-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-one	333501	"86535-72-0; NSC334717; 1-(2H-chromen-3-yl)-3-phenyl-prop-2-yn-1-one; CHEMBL1978397; DTXSID20318750; NSC-334717; NCI60_002931; 2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	334717	.	.	.	.	260.3	C18H12O2	26.3	456	3.9	20	0	2	2	"InChI=1S/C18H12O2/c19-17(11-10-14-6-2-1-3-7-14)16-12-15-8-4-5-9-18(15)20-13-16/h1-9,12H,13H2"	C1C(=CC2=CC=CC=C2O1)C(=O)C#CC3=CC=CC=C3	ZYFJCSFYKVNKSF-UHFFFAOYSA-N
DG52381	4-Ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline	333565	"4-ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline; 83674-93-5; NSC335766; SCHEMBL7597120; CHEMBL1987943; DTXSID60318779; NSC-335766; NCI60_002943; DS-005333; Quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335766	.	.	.	.	260.29	C14H16N2O3	56.8	302	2	19	0	5	5	"InChI=1S/C14H16N2O3/c1-3-11-10-4-13(17-2)14(19-7-9-6-18-9)5-12(10)16-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3"	CCC1=NC=NC2=CC(=C(C=C21)OC)OCC3CO3	ZTWHHVCHUZUNBI-UHFFFAOYSA-N
DG52382	NSC335995	333594	"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate; NSC335995; CHEMBL1999443; ZINC5707003; NSC-335995; NCI60_002949"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	335995	.	.	.	.	528.4	C24H16O14	184	1070	1.3	38	0	14	10	"InChI=1S/C24H16O14/c1-7(25)32-13-6-12-14-15-16(24(31)38-18(14)17(13)33-8(2)26)20(34-9(3)27)22(36-11(5)29)21(35-10(4)28)19(15)37-23(12)30/h6H,1-5H3"	CC(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C(C(=C(C(=C34)C(=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	QLHRNXMRTLKUDR-UHFFFAOYSA-N
DG52383	"2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one"	333612	"NSC336032; 75586-35-5; MLS003170857; 2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one; 2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno[2,3-d]pyrimidin-4-one; NSC 336032; CHEMBL1994664; NSC-336032; SMR001874774; 4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one der.; 2-(o-tolyl)-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one; 4H-[1]Benzopyrano[2, 2,3-dihydro-2-(2-methylphenyl)-; 4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-(2-methylphenyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336032	.	.	.	.	290.3	C18H14N2O2	50.7	525	3.2	22	1	3	1	"InChI=1S/C18H14N2O2/c1-11-6-2-4-8-13(11)16-19-17(21)14-10-12-7-3-5-9-15(12)22-18(14)20-16/h2-10,16H,1H3,(H,19,21)"	CC1=CC=CC=C1C2NC(=O)C3=CC4=CC=CC=C4OC3=N2	ALLSYZMZJAHIPJ-UHFFFAOYSA-N
DG52384	"6-Butyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	333618	"81721-76-8; UNII-WGD1TVN7IQ; WGD1TVN7IQ; NSC336043; 6-Butyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Butyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-butylindeno[1,2-c]isoquinoline-5,11-dione; NSC 336043; CHEMBL1978639; DTXSID60231292; ZINC1576539; NSC-336043; NCI60_002953; DS-009029"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336043	.	.	.	.	303.4	C20H17NO2	37.4	550	3.6	23	0	2	3	"InChI=1S/C20H17NO2/c1-2-3-12-21-18-14-9-5-6-10-15(14)19(22)17(18)13-8-4-7-11-16(13)20(21)23/h4-11H,2-3,12H2,1H3"	CCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	FZJXJUPQVOAASE-UHFFFAOYSA-N
DG52385	"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-"	333624	"MLS003170861; 1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-; NSC336053; ZINC1576544; NSC-336053; SMR001874778"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	336053	.	.	.	.	305.4	C15H19N3O2S	83.8	442	2.2	21	2	5	3	"InChI=1S/C15H19N3O2S/c16-14-6-4-12-5-7-15(11-13(12)10-14)17-21(19,20)18-8-2-1-3-9-18/h4-7,10-11,17H,1-3,8-9,16H2"	C1CCN(CC1)S(=O)(=O)NC2=CC3=C(C=CC(=C3)N)C=C2	XRKVXXQHCZHMRY-UHFFFAOYSA-N
DG52386	Predorine	333830	"PREDORINE; NSC337851; 83759-46-0; CHEMBL1995795; DTXSID20318876; ZINC82190468; NSC-337851; NCI60_002975; Pregna-1,11,20-trione, 21-[[[[3,6-bis(dimethylamino)-9-acridinyl]thio]acetyl]oxy]-17-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	337851	.	.	.	.	695.9	C40H45N3O6S	142	1430	5.6	50	1	10	9	"InChI=1S/C40H45N3O6S/c1-38-15-13-26(44)17-23(38)7-10-27-30-14-16-40(48,39(30,2)20-33(45)36(27)38)34(46)21-49-35(47)22-50-37-28-11-8-24(42(3)4)18-31(28)41-32-19-25(43(5)6)9-12-29(32)37/h8-9,11-13,15,17-19,27,30,36,48H,7,10,14,16,20-22H2,1-6H3/t27-,30-,36+,38-,39-,40-/m0/s1"	C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CSC4=C5C=CC(=CC5=NC6=C4C=CC(=C6)N(C)C)N(C)C)O)CCC7=CC(=O)C=C[C@]37C	JYRZNFYQWHJSJA-XFETZTPGSA-N
DG52387	2-[(2-Bromo-4-methylphenoxy)methyl]oxirane	334089	68224-00-0; 2-[(2-bromo-4-methylphenoxy)methyl]oxirane; NSC338423; CHEMBL1964303; DTXSID00318995; 2-Bromo-4-methylphenylglycidyl ether; AKOS000262070; AKOS017283032; NSC-338423; NCI60_002982	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338423	.	.	.	.	243.1	C10H11BrO2	21.8	174	2.6	13	0	2	3	"InChI=1S/C10H11BrO2/c1-7-2-3-10(9(11)4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3"	CC1=CC(=C(C=C1)OCC2CO2)Br	DAQKAYNUNRPQFT-UHFFFAOYSA-N
DG52388	"6-Phenyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334247	"81721-82-6; NSC338643; MLS002701829; 6-Phenyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Phenyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-phenylindeno[1,2-c]isoquinoline-5,11-dione; NSC 338643; CHEMBL1872375; SCHEMBL20944810; DTXSID20231298; 6-Phenyl-6H-indeno[1,11-dione; ZINC1578272; NSC-338643; NCI60_002985; SMR001565422; {6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338643	.	.	.	.	323.3	C22H13NO2	37.4	616	3.9	25	0	2	1	InChI=1S/C22H13NO2/c24-21-17-12-6-5-11-16(17)20-19(21)15-10-4-7-13-18(15)22(25)23(20)14-8-2-1-3-9-14/h1-13H	C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53	WSCFBMNKAKJCHD-UHFFFAOYSA-N
DG52389	"6-Ethyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334248	"81721-73-5; UNII-IRQ11YJ3RC; NSC338644; IRQ11YJ3RC; 6-Ethyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Ethyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-ethylindeno[1,2-c]isoquinoline-5,11-dione; NSC 338644; CHEMBL141103; SCHEMBL4458946; DTXSID30231289; ZINC1578273; NSC-338644; NCI60_002986; 6-Ethyl-11H-indeno[1,2-c]isoquinoline-5(6H),11-dione; 6-Ethyl-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338644	.	.	.	.	275.3	C18H13NO2	37.4	521	2.7	21	0	2	1	"InChI=1S/C18H13NO2/c1-2-19-16-12-8-4-5-9-13(12)17(20)15(16)11-7-3-6-10-14(11)18(19)21/h3-10H,2H2,1H3"	CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	MXFQAZZHZMQRRV-UHFFFAOYSA-N
DG52390	"6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione"	334273	"96937-79-0; NSC338698; SCHEMBL419972; 6,10-dione, 6,9-dihydro-; DTXSID40319042; NSC-338698; 6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	338698	.	.	.	.	237.25	C15H11NO2	47	503	1.9	18	0	3	0	"InChI=1S/C15H11NO2/c17-14-10-5-6-16-7-11(10)15(18)13-9-3-1-8(2-4-9)12(13)14/h1,3,5-9H,2,4H2"	C1CC2C=CC1C3=C2C(=O)C4=C(C3=O)C=CN=C4	NCNRQBOCQNWNKQ-UHFFFAOYSA-N
DG52391	Gilvocarcin V	334288	"Gilvocarcin V; 77879-90-4; NSC348115; 4-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-8-ethenyl-1-hydroxy-10,12-dimethoxynaphtho[1,2-c]isochromen-6-one; 6H-Benzo[d]naphtho[1, 4-(6-deoxy-.alpha.- L-galactofuranosyl)-8-ethenyl-1-hydroxy-10,12-dimethoxy-; DTXSID80999069; NSC338943; BS-1361; NSC-338943; NSC-348115; 1,4-Anhydro-6-deoxy-1-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)hexitol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348115	.	.	.	.	494.5	C27H26O9	135	821	3.2	36	4	9	5	"InChI=1S/C27H26O9/c1-5-12-8-15-19(17(9-12)33-3)14-10-18(34-4)21-16(29)7-6-13(20(21)25(14)36-27(15)32)26-23(31)22(30)24(35-26)11(2)28/h5-11,22-24,26,28-31H,1H2,2-4H3"	CC(C1C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O	XCWHINLKQMCRON-UHFFFAOYSA-N
DG52392	"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate"	334318	MLS003170946; NSC339124; CHEMBL1879119; ZINC1578354; NSC-339124; NCI60_002996; SMR001874860	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339124	.	.	.	.	442.5	C22H22N2O6S	109	795	3.7	31	0	6	5	"InChI=1S/C22H22N2O6S/c25-20-15-21(26)24(22(27)23(20)16-9-3-1-4-10-16)18-13-7-8-14-19(18)31(28,29)30-17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2"	C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4	BEFDXEZAPJMFBK-UHFFFAOYSA-N
DG52393	"2,6-Diamino-9-[2,6-dichlorobenzyl]purine"	334344	"NSC339176; 9-(2,6-diamine; CHEMBL1972344; ZINC13207724; NSC-339176; NCI60_003000; 2,6-Diamino-9-[2,6-dichlorobenzyl]purine; 9-(2,6-Dichlorobenzyl)-9H-purine-2,6-diamine #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339176	.	.	.	.	309.15	C12H10Cl2N6	95.6	336	2.2	20	2	5	2	"InChI=1S/C12H10Cl2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19)"	C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=C(N=C32)N)N)Cl	SXLNMLQLYSFXSI-UHFFFAOYSA-N
DG52394	"1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-"	334401	"NSC339496; MLS003170962; CHEMBL107370; SCHEMBL13529531; 1, N1-9-acridinyl-2-methoxy-; ZINC5393054; 1, N(1)-9-acridinyl-2-methoxy-; NSC-339496; SMR001874876; 1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-; N1-acridin-9-yl-2-methoxy-benzene-1,4-diamine; 1, 4-Benzenediamine, N1-9-acridinyl-2-methoxy-; 1,4-Benzenediamine, N(1)-9-acridinyl-2-methoxy-; N~1~-(9-Acridinyl)-2-methoxy-1,4-benzenediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339496	.	.	.	.	315.4	C20H17N3O	60.2	396	4.4	24	2	4	3	"InChI=1S/C20H17N3O/c1-24-19-12-13(21)10-11-18(19)23-20-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)20/h2-12H,21H2,1H3,(H,22,23)"	COC1=C(C=CC(=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42	ZFZIUGOGRMNHQT-UHFFFAOYSA-N
DG52395	"7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine"	334409	"7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine; 65795-37-1; TCMDC-124301; NSC339578; DMA7VBB8RW; UNII-DMA7VBB8RW; MLS000758537; CHEMBL353764; 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine; 7H-Pyrrolo(3,2-f)quinazoline-1,3-diamine; NSC-339578; 7h-pyrrolo{3,2-f]quinazoline-1,3-diamine; 7H-Pyrrolo{3,2-f}quinazoline-1,3-diamine; NSC 339578; SCHEMBL5626056; SCHEMBL5626059; DTXSID70215982; ZINC1578473; BDBM50049904; AKOS006277304; NCGC00246796-01; AC-12395; AS-82000; SMR000528966; CS-0130155; 7-H-pyrrolo[3,2-f]quinazoline-1,3-diamine; E71281; A937118"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339578	.	.	.	.	199.21	C10H9N5	88.8	528	0.3	15	3	3	0	"InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4H,11H2,(H3,12,14,15)"	C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1	TYJMBWNFQVCGFT-UHFFFAOYSA-N
DG52396	"7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate"	334410	"MLS003170963; NSC339579; CHEMBL1904209; NSC-339579; SMR001874877; 7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate; 7H-Pyrrolo[3,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate; 7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine,7-[(3-nitrophenyl)methyl]-, monoacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339579	.	.	.	.	394.4	C19H18N6O4	166	531	.	29	3	8	2	"InChI=1S/C17H14N6O2.C2H4O2/c18-16-15-12-6-7-22(9-10-2-1-3-11(8-10)23(24)25)14(12)5-4-13(15)20-17(19)21-16;1-2(3)4/h1-8H,9H2,(H4,18,19,20,21);1H3,(H,3,4)"	CC(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N	UFFKDOLCUFDMQB-UHFFFAOYSA-N
DG52397	"6-Propyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334473	"UNII-POE5E5Q5PZ; NSC339704; POE5E5Q5PZ; 81721-74-6; 6-Propyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-Propyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC 339704; 6-propylindeno[1,2-c]isoquinoline-5,11-dione; CHEMBL142119; SCHEMBL4447832; DTXSID40231290; ZINC1578554; NSC-339704; NCI60_003018; DS-009151; 6-Propyl-11H-indeno[1,2-c]isoquinoline-5(6H),11-dione; 5,6-Dihydro-5,11-diketo-6-propyl-11H-indeno[1,2-c]isoquinoline"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339704	.	.	.	.	289.3	C19H15NO2	37.4	536	3.3	22	0	2	2	"InChI=1S/C19H15NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h3-10H,2,11H2,1H3"	CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	XTNSBPFEFLVLBC-UHFFFAOYSA-N
DG52398	"6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	334474	"81721-79-1; 6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC339705; MLS002701832; CHEMBL123218; 6-(2-Hydroxyethyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; NSC 339705; SCHEMBL16312042; 6-(2-hydroxyethyl)indeno[1,2-c]isoquinoline-5,11-dione; DTXSID40231295; ZINC1578555; BDBM50388593; STL523979; AKOS030487573; NSC-339705; NCI60_003019; SMR001565425; DS-005788; 5H-Indeno[1,11(6H)-dione, 6-(2-hydroxyethyl)-; 6-(2-Hydroxyethyl)-5 H-indeno[1,2-c]isoquinoline-5,11(6 H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339705	.	.	.	.	291.3	C18H13NO3	57.6	539	1.7	22	1	3	2	"InChI=1S/C18H13NO3/c20-10-9-19-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(19)22/h1-8,20H,9-10H2"	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCO	UHXGJXGJNJTBRV-UHFFFAOYSA-N
DG52399	"1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-"	334486	"NSC339866; CHEMBL1993048; NSC-339866; NCI60_003022; 1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-; 1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339866	.	.	.	.	833.2	C20H18Cl10N2O4S4	176	979	7.4	40	0	8	9	"InChI=1S/C20H18Cl10N2O4S4/c21-9-1-5-7(15(35)31(13(5)33)39-19(27,28)17(23)24)3-11(9)37-38-12-4-8-6(2-10(12)22)14(34)32(16(8)36)40-20(29,30)18(25)26/h5-12,17-18H,1-4H2"	C1C2C(CC(C1SSC3CC4C(CC3Cl)C(=O)N(C4=O)SC(C(Cl)Cl)(Cl)Cl)Cl)C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl	BCRRQTMYMQMOAZ-UHFFFAOYSA-N
DG52400	"2-(1-methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one"	334489	"NSC339877; MLS002701833; CHEMBL1728371; 2-(1-methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one; NSC-339877; NCI60_003024; SMR001565426; J3.651.692E; 4(1H)-Quinazolinone,3-dihydro-2-(1-methyl-1H-indol-3-yl)-; 2-(1-Methyl-1H-indole-3-yl)-1,2-dihydroquinazoline-4(3H)-one; 4(1H)-Quinazolinone, 2,3-dihydro-2-(1-methyl-1H-indol-3-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339877	.	.	.	.	277.32	C17H15N3O	46.1	413	2.7	21	2	2	1	"InChI=1S/C17H15N3O/c1-20-10-13(11-6-3-5-9-15(11)20)16-18-14-8-4-2-7-12(14)17(21)19-16/h2-10,16,18H,1H3,(H,19,21)"	CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C(=O)N3	GQSQKIVHIQRRJM-UHFFFAOYSA-N
DG52401	"5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one"	334509	"NSC339908; 64769-68-2; CHEMBL247879; NSC-339908; NCIStruc1_001905; NCIStruc2_001930; SCHEMBL2484352; DTXSID00319109; ZINC1578606; BDBM50371210; CCG-36968; NCGC00014786; NCI339908; NCGC00014786-02; NCGC00097887-01; NCI60_003025; DS-001579; 5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one; 6-(4-((dimethylamino)methyl)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one; 6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one; Isoxazolo[4,5-c]pyridin-4(5h)-one,6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	339908	.	.	.	.	359.4	C22H21N3O2	49.6	562	3.1	27	0	4	4	"InChI=1S/C22H21N3O2/c1-24(2)14-15-9-11-16(12-10-15)18-13-19-20(22(26)25(18)3)21(23-27-19)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3"	CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)CN(C)C	NOHFHPIPRSKJQF-UHFFFAOYSA-N
DG52402	1-Cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea	334739	"MLS000758547; SMR000528969; NSC341196; cid_334739; CHEMBL1333647; BDBM58127; HMS2886I11; ZINC640777; AKOS024431281; MCULE-4922594445; NSC-341196; 1-cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea; 4,4'-BIS(CYCLOPROPYLUREIDO)-3,3'-DIMETHOXYBIPHENYL; 1-cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]urea; 1-cyclopropyl-3-[4-[4-[[(cyclopropylamino)-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341196	.	.	.	.	410.5	C22H26N4O4	101	558	2.6	30	4	4	7	"InChI=1S/C22H26N4O4/c1-29-19-11-13(3-9-17(19)25-21(27)23-15-5-6-15)14-4-10-18(20(12-14)30-2)26-22(28)24-16-7-8-16/h3-4,9-12,15-16H,5-8H2,1-2H3,(H2,23,25,27)(H2,24,26,28)"	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3CC3)OC)NC(=O)NC4CC4	XGOGMONLNQBDKN-UHFFFAOYSA-N
DG52403	2-Bromo-9-(2-deoxypentofuranosyl)-9H-purin-6-amine	334838	89178-21-2; NSC-341936; DTXSID401008691; NSC341936; 2-Bromo-9-(2-deoxypentofuranosyl)-9H-purin-6-amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341936	.	.	.	.	330.14	C10H12BrN5O3	119	338	0.9	19	3	7	2	"InChI=1S/C10H12BrN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)"	C1C(C(OC1N2C=NC3=C(N=C(N=C32)Br)N)CO)O	UYDKYWTWCPKLJR-UHFFFAOYSA-N
DG52404	"1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester"	334839	"MLS000758549; 72014-01-8; 1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester; NSC341956; CHEMBL1487623; DTXSID10319211; NSC-341956; SMR000528970; DS-002933; 1H-Indole-2-carboxylic acid,6-bis(acetyloxy)-2,3-dihydro-2-methyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	341956	.	.	.	.	307.3	C15H17NO6	90.9	479	1.6	22	1	7	6	"InChI=1S/C15H17NO6/c1-8(17)21-12-5-10-7-15(3,14(19)20-4)16-11(10)6-13(12)22-9(2)18/h5-6,16H,7H2,1-4H3"	CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C	ROHZHZUPUYTOST-UHFFFAOYSA-N
DG52405	"Quinazolinone 6-OH-2,3-dihydro-2-(1-naphthyl)"	334935	"CHEMBL1987140; NSC342435; NSC-342435; NCI60_003040; QUINAZOLINONE 6-OH-2,3-DIHYDRO-2-(1-NAPHTHYL)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342435	.	.	.	.	290.3	C18H14N2O2	61.4	427	3.5	22	3	3	1	"InChI=1S/C18H14N2O2/c21-12-8-9-16-15(10-12)18(22)20-17(19-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,17,19,21H,(H,20,22)"	C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)O)C(=O)N3	DSPVMXZFVUAEBC-UHFFFAOYSA-N
DG52406	"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334955	"81721-78-0; NSC342609; 6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-(2-Propynyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; 6-prop-2-ynylindeno[1,2-c]isoquinoline-5,11-dione; NSC 342609; CHEMBL1981244; DTXSID80231294; ZINC1579551; NSC-342609; NCI60_003041; DS-005791"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342609	.	.	.	.	285.3	C19H11NO2	37.4	608	2.5	22	0	2	1	"InChI=1S/C19H11NO2/c1-2-11-20-17-13-8-4-5-9-14(13)18(21)16(17)12-7-3-6-10-15(12)19(20)22/h1,3-10H,11H2"	C#CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42	UMRYKNVDLHXTAA-UHFFFAOYSA-N
DG52407	"6-(3-Pyridinyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	334956	"81721-83-7; NSC342610; 6-(3-Pyridinyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione; 6-(3-Pyridinyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione; NSC 342610; CHEMBL1999981; DTXSID80231299; ZINC1579552; 5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(3-pyridinyl)-; STL523755; AKOS030487089; NSC-342610; NCI60_003042; DS-005715; 6-(3-pyridyl)indeno[1,2-c]isoquinoline-5,11-dione; 6-(pyridin-3-yl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342610	.	.	.	.	324.3	C21H12N2O2	50.3	625	2.9	25	0	3	1	InChI=1S/C21H12N2O2/c24-20-16-9-3-2-8-15(16)19-18(20)14-7-1-4-10-17(14)21(25)23(19)13-6-5-11-22-12-13/h1-12H	C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CN=CC=C5	CXCKDYOPDOUJTL-UHFFFAOYSA-N
DG52408	"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	335015	"NSC342913; CHEMBL1977973; ZINC5460290; NSC-342913; 1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	342913	.	.	.	.	312.3	C18H16O5	72.8	435	2.5	23	1	5	6	"InChI=1S/C18H16O5/c19-8-9-22-10-11-23-15-7-3-6-14-16(15)18(21)13-5-2-1-4-12(13)17(14)20/h1-7,19H,8-11H2"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCO	VPNNMUNVZCJJLA-UHFFFAOYSA-N
DG52409	"1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-"	335118	"MLS003170992; 90421-93-5; NSC343378; CHEMBL1873385; DTXSID00319280; ZINC102180801; ZINC102180805; NSC-343378; SMR001874905; 1H-Indene-1, 2-[[(2-methylphenyl)imino]phenylmethyl]-; 1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343378	.	.	.	.	339.4	C23H17NO2	46.5	551	5.2	26	0	3	3	"InChI=1S/C23H17NO2/c1-15-9-5-8-14-19(15)24-21(16-10-3-2-4-11-16)20-22(25)17-12-6-7-13-18(17)23(20)26/h2-14,20H,1H3"	CC1=CC=CC=C1N=C(C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4	ZCLPAQYHDXAQFS-UHFFFAOYSA-N
DG52410	1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole	335168	NSC343550; MLS000758554; CHEMBL1368720; ZINC1579734; CCG-49122; NSC-343550; SMR000528973; SR-01000638601-1; 1-(4-bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole; 1-(4-Bromo-3-methylphenyl)-5-(2-propynylthio)-1H-tetraazole; 1-(4-Bromo-3-methylphenyl)-1H-tetraazol-5-yl 2-propynyl sulfide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	343550	.	.	.	.	309.19	C11H9BrN4S	68.9	305	3.2	17	0	4	3	"InChI=1S/C11H9BrN4S/c1-3-6-17-11-13-14-15-16(11)9-4-5-10(12)8(2)7-9/h1,4-5,7H,6H2,2H3"	CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br	MZYMILHVEGGJOR-UHFFFAOYSA-N
DG52411	"1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione"	335352	"NSC344003; MLS002701865; SMR001565456; 1,5-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione; NCIMech_000277; cid_335352; CHEMBL1708493; SCHEMBL13856921; BDBM114665; ZINC5461892; CCG-35412; NSC-344003; NCI60_003055; NCI60_003347; 9, 1,5-bis[[3-[(2-hydroxyethyl)amino]propyl]amino]-; 1,5-bis[3-(2-hydroxyethylamino)propylamino]-9,10-anthraquinone; 1,5-Bis({3-[(2-hydroxyethyl)amino]propyl}amino)anthra-9,10-quinone; 1,5-Bis[[3-[(2-hydroxyethyl)amino]propyl]amino]anthracene-9,10-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344003	.	.	.	.	440.5	C24H32N4O4	123	540	2.4	32	6	8	14	"InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30/h1-2,5-8,25-30H,3-4,9-16H2"	C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO	ZDFMCUHFIYMYTO-UHFFFAOYSA-N
DG52412	"(6aS)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione"	335395	"NSC344505; CHEMBL439615; ZINC5462210; NSC-344505; NCI60_003060; (6aS)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione; 5H-[1,6]indeno[1,2-c]isoquinoline- 5,12(6H)-dione, 6a,12a-dihydro-2,3-dimethoxy- 6-methyl-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344505	.	.	.	.	367.4	C20H17NO6	74.3	640	1.9	27	0	6	2	"InChI=1S/C20H17NO6/c1-21-18-10-5-15-16(27-8-26-15)6-11(10)19(22)17(18)9-4-13(24-2)14(25-3)7-12(9)20(21)23/h4-7,17-18H,8H2,1-3H3/t17-,18-/m1/s1"	CN1[C@H]2[C@@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5	XMGPGUJCNJAHRG-QZTJIDSGSA-N
DG52413	"15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione"	335440	"NSC344832; 71461-29-5; 15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione; NSC 344832; CHEMBL1965948; DTXSID00221677; ZINC1580033; NSC344677; NSC-344677; NSC-344832; 71413-12-2; NCI60_003063; 15,17-Dimethoxytricyclo[11.3.1.1~5,9~]octadeca-1(17),5,8,13,15-pentaene-7,18-dione; Tricyclo[11.3.1.1(5,5,8,13,15-pentaene- 7,18-dione, 15,17-dimethoxy-, stereoisomer"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	344832	.	.	.	.	326.4	C20H22O4	52.6	518	3.6	24	0	4	2	"InChI=1S/C20H22O4/c1-23-18-11-15-7-3-5-13-9-17(21)10-14(19(13)22)6-4-8-16(12-18)20(15)24-2/h9-12H,3-8H2,1-2H3"	COC1=CC2=C(C(=C1)CCCC3=CC(=O)C=C(C3=O)CCC2)OC	VCEDWTLHLIZOJL-UHFFFAOYSA-N
DG52414	"9-[Amino-[bis(2-chloroethyl)amino]phosphoryl]oxyfuro[3,2-g]chromen-7-one"	335450	NSC345081; 88181-19-5; NCIMech_000338; CHEMBL335626; DTXSID80319400; NSC-345081; NCI60_003066	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345081	.	.	.	.	405.2	C15H15Cl2N2O5P	95	572	1.9	25	1	7	7	"InChI=1S/C15H15Cl2N2O5P/c16-4-6-19(7-5-17)25(18,21)24-15-13-11(3-8-22-13)9-10-1-2-12(20)23-14(10)15/h1-3,8-9H,4-7H2,(H2,18,21)"	C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OP(=O)(N)N(CCCl)CCCl	VTACKYDNMSOGFM-UHFFFAOYSA-N
DG52415	"Ethanesulfonic acid,3,2-oxaphosphorin-4-yl]thio]-, P-oxide, compd. with cyclohexamine (1:1)"	335628	"NSC-345842; CHEMBL1996600; NSC345842; NCI60_003076; Ethanesulfonic acid,3,2-oxaphosphorin-4-yl]thio]-, P-oxide, compd. with cyclohexamine (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345842	.	.	.	.	500.4	C15H32Cl2N3O5PS2	156	502	.	28	3	9	9	"InChI=1S/C9H19Cl2N2O5PS2.C6H13N/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17;7-6-4-2-1-3-5-6/h9H,1-8H2,(H,12,14)(H,15,16,17);6H,1-5,7H2"	C1CCC(CC1)N.C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl	AJOJXYODECALSX-UHFFFAOYSA-N
DG52416	"3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine"	335629	"71993-16-3; UNII-0DQD9UP3KV; NSC345845; 0DQD9UP3KV; MLS000756887; 3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine; 3-(4,5-Dimethylbenzo[h]-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine; NSC 345845; CHEMBL4296930; SCHEMBL15537517; DTXSID10222271; ZINC990239; 3-(4,5-dimethylbenzo[h][1,6]naphthyridin-2-yl)-2-methylquinolin-4-amine; NSC-345845; SMR000528979; 3-(4,5-Dimethylbenzo(H)-1,6-naphthyridin-2-yl)-2-methyl-4-quinolinamine; 3-(4,5-dimethylbenzo[h][1,6]naphthyridin-2-yl)-2-methyl-quinolin-4-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	345845	.	.	.	.	364.4	C24H20N4	64.7	553	4.9	28	1	4	1	"InChI=1S/C24H20N4/c1-13-12-20(22-15(3)27-18-10-6-4-8-16(18)23(22)25)28-24-17-9-5-7-11-19(17)26-14(2)21(13)24/h4-12H,1-3H3,(H2,25,27)"	CC1=CC(=NC2=C1C(=NC3=CC=CC=C32)C)C4=C(C5=CC=CC=C5N=C4C)N	HNAUTBFNKNNXKT-UHFFFAOYSA-N
DG52417	"9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D-ribofuranosyl-"	335945	"NSC348400; SCHEMBL300786; NSC-348400; 9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D-ribofuranosyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348400	.	.	.	.	462.4	C16H14N8O7S	250	708	-0.4	32	4	14	4	"InChI=1S/C16H14N8O7S/c17-16-19-13-10(18-4-23(13)15-12(27)11(26)6(3-25)30-15)14(20-16)32-7-2-1-5(24(28)29)8-9(7)22-31-21-8/h1-2,4,6,11-12,15,25-27H,3H2,(H2,17,19,20)"	C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N)[N+](=O)[O-]	KPNFSARMBBISMK-UHFFFAOYSA-N
DG52418	"Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-"	335981	"NSC348894; Neuro_000178; CHEMBL1986064; ZINC5594120; NSC-348894; NCI60_003098; 1-[4-(acridin-9-ylmethylamino)phenyl]sulfonylguanidine; 9-((4-(((Amino(imino)methyl)amino)sulfonyl)anilino)methyl)acridine; Benzenesulfonamide, {4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-}; Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348894	.	.	.	.	405.5	C21H19N5O2S	132	658	3.1	29	3	5	5	"InChI=1S/C21H19N5O2S/c22-21(23)26-29(27,28)15-11-9-14(10-12-15)24-13-18-16-5-1-3-7-19(16)25-20-8-4-2-6-17(18)20/h1-12,24H,13H2,(H4,22,23,26)"	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N	RXMJKDVBBVPVDA-UHFFFAOYSA-N
DG52419	4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide	335987	"NSC348900; SCHEMBL282310; SCHEMBL282311; BDBM223477; NSC-348900; US9320734, 316"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	348900	.	.	.	.	497.9	C21H16ClN7O4S	155	916	3	34	1	10	6	"InChI=1S/C21H16ClN7O4S/c1-13-18(20(31)29(27-13)19(30)14-3-5-15(22)6-4-14)26-25-16-7-9-17(10-8-16)34(32,33)28-21-23-11-2-12-24-21/h2-12,18H,1H3,(H,23,24,28)"	CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl	HRJNALBHZAXUKU-UHFFFAOYSA-N
DG52420	"2-Nitroindolo[2,1-b]quinazoline-6,12-dione"	336271	"2-Nitroindolo[2,1-b]quinazoline-6,12-dione; NSC349856; 2-Nitro-indolo[2,1-b]quinazoline-6,12-dione; Oprea1_013112; Oprea1_358319; CHEMBL307362; SCHEMBL9113254; ZINC191002; STK091369; AKOS000486618; MCULE-5168502210; NSC-349856; NCI60_003117; SR-01000493583; SR-01000493583-1"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	349856	.	.	.	.	293.23	C15H7N3O4	95.6	582	1.9	22	0	5	0	InChI=1S/C15H7N3O4/c19-13-9-3-1-2-4-12(9)17-14(13)16-11-6-5-8(18(21)22)7-10(11)15(17)20/h1-7H	C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23	UTXCTALMRHFUAD-UHFFFAOYSA-N
DG52421	"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate"	336310	"62415-93-4; NSC350013; CHEMBL1994144; DTXSID00319740; ZINC82195462; NSC-350013; ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate; tetrakis(N-carboethoxy-4h-pyridin-4-ylidene)cyclobutane; 4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetraylidene)tetrakis(1,4-dihydropyridine-1-carboxylic acid ethyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350013	.	.	.	.	652.7	C36H36N4O8	118	1430	2.6	48	0	8	8	"InChI=1S/C36H36N4O8/c1-5-45-33(41)37-17-9-25(10-18-37)29-30(26-11-19-38(20-12-26)34(42)46-6-2)32(28-15-23-40(24-16-28)36(44)48-8-4)31(29)27-13-21-39(22-14-27)35(43)47-7-3/h9-24H,5-8H2,1-4H3"	CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1	RRFZNTZTIXTQNT-UHFFFAOYSA-N
DG52422	"7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one"	336423	"41276-02-2; TIC 10; TIC-10; TIC10; TIC-10 Isomer; NSC350625; 7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one; 41276-02-2 (TIC10 isomer); 2,6,7,8,9,10-Hexahydro-10-[(2-methylphenyl)methyl]-7-(phenylmethyl)-imidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(3H)-one; 7-benzyl-10-(2-methylbenzyl)-2,6,7,8,9,10-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(3H)-one; ONC201 isomer; NCIStruc1_001799; NCIStruc2_001940; CHEMBL1488771; SCHEMBL13559495; DTXSID30319793; HMS3653M07; BCP20950; 2757AH; CCG-37418; MFCD25976764; NCGC00014802; NCI350625; s7127; ZINC31771664; AKOS027276446; CS-1738; NCGC00014802-02; NCGC00014802-05; NCGC00097903-01; AC-32687; AS-74671; HY-15615; NCI60_003126; FT-0698402; SW219835-1; A899672; 11-BENZYL-2-[(2-METHYLPHENYL)METHYL]-2,4,7,11-TETRAAZATRICYCLO[7.4.0.0(3), ]TRIDECA-1(9),3-DIEN-8-ONE; 11-Benzyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-8-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350625	.	.	.	.	386.5	C24H26N4O	39.2	693	2.3	29	0	3	4	"InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-22-11-13-26(15-19-8-3-2-4-9-19)17-21(22)23(29)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3"	CC1=CC=CC=C1CN2C3=C(CN(CC3)CC4=CC=CC=C4)C(=O)N5C2=NCC5	RSAQARAFWMUYLL-UHFFFAOYSA-N
DG52423	"[3,4,5-Triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate"	336424	"NSC350629; MLS002702963; CHEMBL1715968; 2-Propen-1-one, tetraacetate ester; NSC-350629; NCI60_003127; SMR001566777; 4-(2-((Dimethylamino)methyl)acryloyl)phenyl 2,3,4,6-tetra-O-acetylhexopyranoside; [3,4,5-triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate; 2-Propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-D-glucopyranosyloxyphenyl)-, tetraacetate ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350629	.	.	.	.	535.5	C26H33NO11	144	894	2.5	38	0	12	15	"InChI=1S/C26H33NO11/c1-14(12-27(6)7)22(32)19-8-10-20(11-9-19)37-26-25(36-18(5)31)24(35-17(4)30)23(34-16(3)29)21(38-26)13-33-15(2)28/h8-11,21,23-26H,1,12-13H2,2-7H3"	CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)C(=C)CN(C)C)OC(=O)C)OC(=O)C)OC(=O)C	CZQYJARXPRSTCI-UHFFFAOYSA-N
DG52424	Ehretinine	336435	"Ehretinine; 76231-29-3; UNII-P23Z82Y326; NSC350856; [(1R,7S,8R)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 4-methoxybenzoate; P23Z82Y326; NSC 350856; CHEMBL1987381; NSC-350856; Benzoic acid, 4-methoxy-, hexahydro-7-methyl-1H-pyrroliziN-1-yl ester, (1R-(1alpha,7alpha,7abeta))-; NCI60_003128; Q27286024"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	350856	.	.	.	.	275.34	C16H21NO3	38.8	352	3	20	0	4	4	"InChI=1S/C16H21NO3/c1-11-7-9-17-10-8-14(15(11)17)20-16(18)12-3-5-13(19-2)6-4-12/h3-6,11,14-15H,7-10H2,1-2H3/t11-,14+,15+/m0/s1"	C[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C3=CC=C(C=C3)OC	PIRUMYPCEYRZQG-NILFDRSVSA-N
DG52425	"4,3,5(2H)-trione,3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-"	336482	"NSC351105; MLS002701841; benzyl(phenyl)[ ]trione; CHEMBL1884479; SCHEMBL21840124; NSC-351105; NCI60_003132; SMR001565433; 4,3,5(2H)-trione, 3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-; 4,3,5(2H)-trione,3a,4,8,8a-tetrahydro-2-phenyl-9-(phenylmethyl)-; {4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione,} 3a,4,8, 8a-tetrahydro-2-phenyl-9-(phenylmethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351105	.	.	.	.	358.4	C22H18N2O3	57.7	675	2.1	27	0	4	3	"InChI=1S/C22H18N2O3/c25-17-12-11-16-18-19(20(17)23(16)13-14-7-3-1-4-8-14)22(27)24(21(18)26)15-9-5-2-6-10-15/h1-12,16,18-20H,13H2"	C1=CC=C(C=C1)CN2C3C=CC(=O)C2C4C3C(=O)N(C4=O)C5=CC=CC=C5	WKEXHQLBCFZJRL-UHFFFAOYSA-N
DG52426	"5-Phenyl-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-5-ol"	336607	"NSC351520; 68210-55-9; 5-Phenyl-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-5-ol; 5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol; NSC-351520; NSC 351520; CHEMBL1993581; NCI60_003140; 5-phenyl-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	351520	.	.	.	.	265.31	C16H15N3O	47.9	405	1.3	20	2	2	1	"InChI=1S/C16H15N3O/c20-16(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15-17-10-11-19(15)16/h1-9,20H,10-11H2,(H,17,18)"	C1CN2C(=N1)NC3=CC=CC=C3C2(C4=CC=CC=C4)O	FBGWKMHLBSARIC-UHFFFAOYSA-N
DG52427	Trimetrexate glucuronic acid salt	336805	"Trimetrexate glucuronic acid salt; 82952-64-5; NSC-352122; Neuro_000185; CHEMBL2007423; NCI60_003150; 2, 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-,mono-D-glucuronate; D-Glucuronic acid,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine (1:1); 5-Methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;2,3,4,5-tetrahydroxy-6-oxohexanoic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352122	.	.	.	.	563.6	C25H33N5O10	253	648	.	40	8	15	11	"InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)"	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O	ZCJXQWYMBJYJNB-UHFFFAOYSA-N
DG52428	Bis(helenalinyl)glutarate	336831	"Bis(helenalinyl)glutarate; NSC352330; 77928-51-9; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] pentanedioate; Bis(helenalinyl) glutarate; Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno(6,5-b)furan-4-yl) pentanedioate; Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl) pentanedioate; NSC 352330; bis-Helenalinyl-glutarate; CHEMBL1169671; NSC-352330; NCI60_003153; 4alpha,4'alpha-[(1,5-Dioxopentane-1,5-diyl)dioxy]bis[(3aR)-3,3aalpha,4,4a,7aalpha,8,9,9aalpha-octahydro-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione]; bis[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] pentanedioate; Pentanedioic acid, bis(2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl) ester, (3aR-(3aalpha,4alpha3aR*,4S*,4aR*,7aR*,8R*,9aR*),4abeta,7aalpha,8alpha,9aalpha))-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352330	.	.	.	.	620.7	C35H40O10	139	1360	4	45	0	10	8	"InChI=1S/C35H40O10/c1-16-14-22-28(18(3)32(40)42-22)30(34(5)20(16)10-12-24(34)36)44-26(38)8-7-9-27(39)45-31-29-19(4)33(41)43-23(29)15-17(2)21-11-13-25(37)35(21,31)6/h10-13,16-17,20-23,28-31H,3-4,7-9,14-15H2,1-2,5-6H3/t16-,17-,20+,21+,22-,23-,28-,29-,30+,31+,34+,35+/m1/s1"	C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)CCCC(=O)O[C@H]4[C@H]5[C@@H](C[C@H]([C@H]6[C@]4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2	PCLGLSWYMVOCFV-VSUOEQHXSA-N
DG52429	"5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole"	336858	"NSC352692; TimTec1_005003; Oprea1_859443; CHEMBL297297; HMS1548D09; NSC-352692; NCI60_003155; J-3230; 1, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-propenyloxy)-; 5-allyloxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole; 5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole; 5-(Allyloxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole #; 5-[2-Propenyloxy]-6-[1-[4-methoxyphenyl]ethyl]-1,3-benzodioxol; 1,3-Benzodioxole, {5-[1-(4-methoxyphenyl)ethyl]-6-(2-propenyloxy)-}; 95385-60-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352692	.	.	.	.	312.4	C19H20O4	36.9	378	4.6	23	0	4	6	"InChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3"	CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OCC=C)OCO3	IZTASLRRHYCALV-UHFFFAOYSA-N
DG52430	"2-[[6-[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol"	336892	"NSC352876; CHEMBL52289; SCHEMBL14535318; 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol; NSC-352876; NCI60_003157; Ethanol,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]-; Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	352876	.	.	.	.	376.4	C20H24O7	75.6	434	3.2	27	1	7	8	"InChI=1S/C20H24O7/c1-12(13-7-18(22-2)20(24-4)19(8-13)23-3)14-9-16-17(27-11-26-16)10-15(14)25-6-5-21/h7-10,12,21H,5-6,11H2,1-4H3"	CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCO)OCO3	KCQPASVCUVLGJW-UHFFFAOYSA-N
DG52431	2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid	336952	NSC353281; CHEMBL1978165; NSC-353281; NCI60_003162	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353281	.	.	.	.	521.09	C16H13I2NO3	66.4	389	4.1	22	2	3	5	"InChI=1S/C16H13I2NO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)(H,21,22)"	C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)I	JWYVRTYEULJQBP-UHFFFAOYSA-N
DG52432	3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid	336957	NSC353286; CHEMBL1984440; NSC-353286; NCI60_003167	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353286	.	.	.	.	429.63	C16H13ClINO3	66.4	391	4.1	22	2	3	5	"InChI=1S/C16H13ClINO3/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)(H,21,22)"	C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Cl	BLXXGFNMRNZIDG-UHFFFAOYSA-N
DG52433	"8H-(1,3)Oxazolo(3,4-a)perimidin-10-one"	337010	"NSC353492; 61636-21-3; MLS003171126; 8H-(1,3)Oxazolo(3,4-a)perimidin-10-one; 8H-[1,3]Oxazolo[3,4-a]perimidin-10-one; NSC 353492; UNII-NG9L9MU46W; NG9L9MU46W; CHEMBL1988447; DTXSID90210651; ZINC1582448; 8H-oxazolo[3,4-a]perimidin-10-one; NSC-353492; NCI60_003171; SMR001875034"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353492	.	.	.	.	224.21	C13H8N2O2	41.9	393	2.2	17	0	3	0	"InChI=1S/C13H8N2O2/c16-13-15-10-6-2-4-8-3-1-5-9(12(8)10)14-11(15)7-17-13/h1-6H,7H2"	C1C2=NC3=CC=CC4=C3C(=CC=C4)N2C(=O)O1	IWLBTKROGNSERQ-UHFFFAOYSA-N
DG52434	"5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole"	337030	"NSC353648; 90632-70-5; 5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole; 5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole; 5-methoxy-6-(1-[4-ethoxyphenyl]ethyl)-1,3-benzodioxole; 5-Methoxy-6-[1-(4-ethoxyphenyl)ethyl]-1,3-benzodioxole; NSC 353648; CHEMBL52216; NSC-353648; NCI60_003176; 1, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-; 5-Methoxy-6-[1-[4-ethoxyphenyl]ethyl]-1,3-benzodioxol; 1,3-Benzodioxole, {5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-}; 1,3-Benzodioxole, 5-(1-(4-ethoxyphenyl)ethyl)-6-methoxy-; 5-[1-(4-Ethoxyphenyl)ethyl]-6-methoxy-1,3-benzodioxole #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353648	.	.	.	.	300.3	C18H20O4	36.9	340	4.3	22	0	4	5	"InChI=1S/C18H20O4/c1-4-20-14-7-5-13(6-8-14)12(2)15-9-17-18(22-11-21-17)10-16(15)19-3/h5-10,12H,4,11H2,1-3H3"	CCOC1=CC=C(C=C1)C(C)C2=CC3=C(C=C2OC)OCO3	HEPVVPUNSAKITO-UHFFFAOYSA-N
DG52435	"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	337115	"NSC353882; 74442-98-1; CHEMBL1991997; DTXSID20320030; ZINC1582540; NSC-353882; NCI60_003178; 5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	353882	.	.	.	.	250.25	C12H14N2O4	74.8	486	-0.6	18	0	4	3	"InChI=1S/C12H14N2O4/c1-7(15)10(8(2)16)5-9-6-13(3)12(18)14(4)11(9)17/h5-6H,1-4H3"	CC(=O)C(=CC1=CN(C(=O)N(C1=O)C)C)C(=O)C	YHCFAKPDEBMDIZ-UHFFFAOYSA-N
DG52436	"Adenosine, 8-chloro-"	337175	"8-Cl-Ado; Adenosine, 8-chloro-; NSC-354258; 9-(b-D-Arabinofuranosyl)-8-chloroadenine; CHEMBL1333540; DTXSID50955955; (2R,3R,4S,5R)-2-(6-amino-8-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 769872-68-6; NSC354258; SB17113; NCGC00096095-01; NCI60_003182; 8-Chloro-9-pentofuranosyl-9H-purin-6-amine; FT-0641798"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	354258	.	.	.	.	301.69	C10H12ClN5O4	140	367	-0.1	20	4	8	2	"InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)"	C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O)N	MHDPPLULTMGBSI-UHFFFAOYSA-N
DG52437	"4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine"	337393	"79441-92-2; NSC355170; UNII-9N2BLV59GJ; 9N2BLV59GJ; 4,9,10-Triphenylpyridazino(3',4':3,4)pyrazolo(5,1-c)(1,2,4)triazine; 4,9,10-Triphenylpyridazino[3',4':3,4]pyrazolo[5,1-c][1,2,4]triazine; NSC 355170; CHEMBL183337; DTXSID20229655; ZINC1582785; NSC-355170; NCI60_003199; 4,9,10-triphenylpyridazino[[ ]:[ ]]pyrazolo[[ ]][1,2,4]triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355170	.	.	.	.	400.4	C25H16N6	68.9	583	3.9	31	0	5	3	InChI=1S/C25H16N6/c1-4-10-17(11-5-1)20-16-26-29-25-22-21(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)27-28-24(22)30-31(20)25/h1-16H	C1=CC=C(C=C1)C2=CN=NC3=C4C(=C(N=NC4=NN23)C5=CC=CC=C5)C6=CC=CC=C6	KJPUGCZAQOOLMU-UHFFFAOYSA-N
DG52438	"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	337394	"79441-93-3; NSC355171; DTXSID10320120; ZINC1582786; NSC-355171; 4-(4-methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355171	.	.	.	.	370.3	C19H13F3N4O	52.3	498	3.5	27	0	7	3	"InChI=1S/C19H13F3N4O/c1-27-15-7-5-12(6-8-15)17-11-23-25-18-16(10-24-26(17)18)13-3-2-4-14(9-13)19(20,21)22/h2-11H,1H3"	COC1=CC=C(C=C1)C2=CN=NC3=C(C=NN23)C4=CC(=CC=C4)C(F)(F)F	SBJCTTSCLDWRDY-UHFFFAOYSA-N
DG52439	1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one	337396	"86455-98-3; 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one; NSC355184; MLS002702888; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one; SMR001566706; 9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-hydroxy-4-(hydroxymethyl)-; 1-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one; NSC 355184; CHEMBL416556; cid_337396; SCHEMBL11001878; BDBM94854; DTXSID70235564; ZINC5486798; 3546AC; MFCD22419378; 1-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)xanthen-9-one; AKOS016011447; DS-6248; NSC-355184; NCI60_003200; CS-0186205; C76812; A863180; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylol-xanthone; 1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-7-oxidanyl-xanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)-9-xanthenone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	355184	.	.	.	.	328.4	C18H20N2O4	82	445	2.3	24	3	6	5	"InChI=1S/C18H20N2O4/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3"	CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O	BOTXZPXSICDQHE-UHFFFAOYSA-N
DG52440	"Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester"	337614	"NSC356244; ZINC1582991; NSC-356244; Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	356244	.	.	.	.	448	C23H30ClN3O4	81.6	610	3.9	31	2	4	9	"InChI=1S/C23H30ClN3O4/c1-14(2)25-22(28)30-12-18-19(13-31-23(29)26-15(3)4)21(27-11-5-6-20(18)27)16-7-9-17(24)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,25,28)(H,26,29)"	CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=C(C=C3)Cl	LWBRTXHWARELLI-UHFFFAOYSA-N
DG52441	NSC357088	337799	"[(3R,4aR,5R,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate; NSC357088; 64657-11-0; NSC-357088; SCHEMBL4917705; CHEMBL1990053; NCI60_003231"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357088	.	.	.	.	410.5	C22H34O7	113	747	1	29	3	7	3	"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17+,19-,20-,21+,22-/m0/s1"	CC(=O)O[C@@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O	OHCQJHSOBUTRHG-WWVGWVLGSA-N
DG52442	Buellolide	337850	BUELLOLIDE; NSC357680; 69799-33-3; CHEMBL1993592; DTXSID20320313; NSC-357680; NCI60_003238	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357680	.	.	.	.	433.7	C18H15Cl3O6	63.2	537	5	27	0	6	5	"InChI=1S/C18H15Cl3O6/c1-7-12(19)16(24-3)14(21)17(25-4)15(7)27-9-5-10(23-2)13(20)8-6-26-18(22)11(8)9/h5H,6H2,1-4H3"	CC1=C(C(=C(C(=C1Cl)OC)Cl)OC)OC2=CC(=C(C3=C2C(=O)OC3)Cl)OC	OXWGVBMJMQGGEG-UHFFFAOYSA-N
DG52443	NSC357703	337853	"6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-N,N-dibenzyl-3-hydroxy-2-methyloxan-4-amine oxide; NSC357703; CHEMBL1980232; NSC-357703; NCI60_003239; 5, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, N-oxide, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357703	.	.	.	.	723.8	C41H41NO11	178	1310	5.8	53	4	11	9	"InChI=1S/C41H41NO11/c1-22-36(44)28(42(50,20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(52-22)53-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(51-3)32(26)39(35)47/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3/t22 ,28 ,30-,31 ,36 ,41-/m0/s1"	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](CC6=CC=CC=C6)(CC7=CC=CC=C7)[O-])O	YYEDQXYOGYFXSQ-HUQCEHJHSA-N
DG52444	"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one"	337866	NSC357757; 81816-05-9; CHEMBL1966315; DTXSID00320316; ZINC5518856; NSC-357757; NCI60_003242	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357757	.	.	.	.	351.4	C20H17NO5	66	619	3.1	26	1	6	2	"InChI=1S/C20H17NO5/c1-23-13-4-3-11-17(20(13)24-2)18-16(19(11)22)12-8-15-14(25-9-26-15)7-10(12)5-6-21-18/h3-4,7-8,21H,5-6,9H2,1-2H3"	COC1=C(C2=C(C=C1)C(=O)C3=C2NCCC4=CC5=C(C=C43)OCO5)OC	MKHRAWDXJGOQHG-UHFFFAOYSA-N
DG52445	"2-Ethyl-1,2-benzoisothiazole-3(2H)-one"	337889	"CHEMBL1996492; 4299-06-3; NSC357895; SCHEMBL3143600; DTXSID90320320; ZINC1584136; BDBM50435393; NSC-357895; NCI60_003247; 2-Ethyl-1,2-benzoisothiazole-3(2H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	357895	.	.	.	.	179.24	C9H9NOS	45.6	195	1.8	12	0	2	1	"InChI=1S/C9H9NOS/c1-2-10-9(11)7-5-3-4-6-8(7)12-10/h3-6H,2H2,1H3"	CCN1C(=O)C2=CC=CC=C2S1	RTMDCQYUXWCPQG-UHFFFAOYSA-N
DG52446	"(S)-N-(5,7,9-Tetrahydro-1,2,3-trimethoxy-1-(methylthio)-9-oxobenzo[A]heptalen-7-YL)beutanamide"	337948	"NSC358257; CHEMBL448425; NSC-358257; NCI60_003249; (S)-N-(5,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-1-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YL)BEUTANAMIDE; Butanamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	358257	.	.	.	.	443.6	C24H29NO5S	99.2	774	2.6	31	1	6	7	"InChI=1S/C24H29NO5S/c1-6-7-21(27)25-17-10-8-14-12-19(28-2)23(29-3)24(30-4)22(14)15-9-11-20(31-5)18(26)13-16(15)17/h9,11-13,17H,6-8,10H2,1-5H3,(H,25,27)/t17-/m0/s1"	CCCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	ZEBQELDBCIBMMZ-KRWDZBQOSA-N
DG52447	"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione"	337974	NSC358304; CHEMBL1967831; ZINC1584232; NSC-358304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	358304	.	.	.	.	456.7	C20H16Cl3NO5	65.099	675	4.4	29	0	5	5	"InChI=1S/C20H16Cl3NO5/c1-27-12-6-4-11(5-7-12)16-17(21)18(25)24(19(26)20(16,22)23)14-9-8-13(28-2)10-15(14)29-3/h4-10H,1-3H3"	COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)C2(Cl)Cl)C3=C(C=C(C=C3)OC)OC)Cl	HDXYUNYCAUPKNJ-UHFFFAOYSA-N
DG52448	"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-"	338174	"26490-83-5; NSC359416; 5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-; CHEMBL1996205; DTXSID90320441; NSC-359416"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359416	.	.	.	.	233.31	C17H15N	12.4	372	3.8	18	0	1	0	"InChI=1S/C17H15N/c1-17-11-10-12-6-2-3-7-13(12)16(17)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3"	CC12CCC3=CC=CC=C3C1=NC4=CC=CC=C24	WFIZSUJJRAIXMS-UHFFFAOYSA-N
DG52449	"5-Amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one"	338182	"NSC359452; 80394-72-5; CHEMBL1969011; DTXSID501001212; NSC-359452; NCI60_003262; 5-Imino-3-pentofuranosyl-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359452	.	.	.	.	284.23	C10H12N4O6	152	446	-1.3	20	4	8	2	"InChI=1S/C10H12N4O6/c11-10-13-7-4(9(18)20-10)12-2-14(7)8-6(17)5(16)3(1-15)19-8/h2-3,5-6,8,15-17H,1H2,(H2,11,13)"	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(OC2=O)N	PWVUOVPUCZNICU-UHFFFAOYSA-N
DG52450	6-Formylphenoxathiine-4-carboxylic acid	338202	NSC359565; CHEMBL1972137; NSC-359565; NCI60_003269	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359565	.	.	.	.	272.28	C14H8O4S	88.9	373	2.6	19	1	5	2	"InChI=1S/C14H8O4S/c15-7-8-3-1-5-10-12(8)18-13-9(14(16)17)4-2-6-11(13)19-10/h1-7H,(H,16,17)"	C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)C=O	XBUGQKGMWIEKPS-UHFFFAOYSA-N
DG52451	N-(6-Amino-2-oxo-2H-chromen-3-yl)acetamide	338232	97126-20-0; NSC359701; N-(6-Amino-2-oxo-2H-chromen-3-yl)acetamide; 3-Acetamido-6-aminochromen-2-one; N-(6-amino-2-oxochromen-3-yl)acetamide; Maybridge3_000341; 3-acetamido-6-aminocoumarin; Oprea1_709354; N-(6-amino-2-oxo-2H-1-benzopyran-3-yl)Acetamide; SCHEMBL3283803; CHEMBL1977697; DTXSID80320455; HMS1431P11; ZINC150876; AKOS030564348; CCG-234611; MCULE-9326747098; NSC-359701; IDI1_011728; DA-00090; NCI60_003271; N-(6-amino-2-oxo-chromen-3-yl)acetamide; FT-0755720	.	.	Investigative Drug(s)	Investigative	Small molecular drug	359701	.	.	.	.	218.21	C11H10N2O3	81.4	351	0.6	16	2	4	1	"InChI=1S/C11H10N2O3/c1-6(14)13-9-5-7-4-8(12)2-3-10(7)16-11(9)15/h2-5H,12H2,1H3,(H,13,14)"	CC(=O)NC1=CC2=C(C=CC(=C2)N)OC1=O	LZDJQRLPKGUGHL-UHFFFAOYSA-N
DG52452	Haginin A	338286	"HAGININ A; 74174-29-1; 3-(4-hydroxy-2,3-dimethoxyphenyl)-2H-chromen-7-ol; NSC360042; 7,4'-Dihydroxy-2',3'-dimethoxyisoflavene; SCHEMBL571483; CHEMBL1989020; DTXSID40320471; CHEBI:185662; LMPK12080067; NSC-360042; NCI60_003278"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360042	.	.	.	.	300.3	C17H16O5	68.2	410	2.7	22	2	5	3	"InChI=1S/C17H16O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-8,18-19H,9H2,1-2H3"	COC1=C(C=CC(=C1OC)O)C2=CC3=C(C=C(C=C3)O)OC2	JGINXZCTOGQYKS-UHFFFAOYSA-N
DG52453	Zuihonin A	338287	ZUIHONIN A; CHEMBL1980140; NSC360072; Zuonin A; (+)-zuonin A; BDBM50392854; NSC-360072; NCI60_003279; 79120-58-4	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360072	.	.	.	.	340.4	C20H20O5	46.2	443	4.1	25	0	5	2	"InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m1/s1"	C[C@@H]1[C@@H]([C@@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C	QFUXQRHAJWXPGP-BINDOVRGSA-N
DG52454	"N-(1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide"	338325	NSC360219; CHEMBL2006321; NSC-360219; NCI60_003282	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360219	.	.	.	.	322.4	C20H22N2O2	49.4	453	2.2	24	1	3	3	"InChI=1S/C20H22N2O2/c1-14(23)21-19-18(24)13-17(15-9-5-3-6-10-15)22(2)20(19)16-11-7-4-8-12-16/h3-12,17,19-20H,13H2,1-2H3,(H,21,23)"	CC(=O)NC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3	JDYAEPOVCTZWTD-UHFFFAOYSA-N
DG52455	"N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine"	338334	"NSC360239; CHEMBL1978035; NSC-360239; NCI60_003285; 1-methyl-2,6-diphenylpiperidin-4-one-O-benzyloxime; N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine; Piperidin-4-one,6-diphenyl-1-methyl-, O-(phenylmethoxy)oxime, cis-; Piperidine,6-diphenyl-1-methyl-4-[(phenylmethoxy)imino]-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360239	.	.	.	.	370.5	C25H26N2O	24.8	457	4.9	28	0	3	5	"InChI=1S/C25H26N2O/c1-27-24(21-13-7-3-8-14-21)17-23(18-25(27)22-15-9-4-10-16-22)26-28-19-20-11-5-2-6-12-20/h2-16,24-25H,17-19H2,1H3"	CN1C(CC(=NOCC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4	VUCFRUBUXMGNIA-UHFFFAOYSA-N
DG52456	"1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	338385	"NSC360494; NSC-360494; 79712-61-1; NCIStruc1_001741; NCIStruc2_001955; CHEMBL1478627; DTXSID70320505; ZINC1584712; CCG-36981; NCGC00014822; NCI360494; NCGC00014822-02; NCGC00097923-01; NCI60_003287; 1-(4-chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360494	.	.	.	.	352.7	C18H9ClN2O4	89.3	590	3.7	25	1	5	2	"InChI=1S/C18H9ClN2O4/c19-9-5-7-10(8-6-9)21-15-13(14(20-21)18(24)25)16(22)11-3-1-2-4-12(11)17(15)23/h1-8H,(H,24,25)"	C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(N=C3C(=O)O)C4=CC=C(C=C4)Cl	LUFJOPHUENGNNB-UHFFFAOYSA-N
DG52457	"[2-[2,5-Bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate"	338440	"91706-55-7; NSC360702; CHEMBL1990721; DTXSID20320535; NSC-360702; [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate; NCI60_003289; 1-Piperazinecarboxylic acid, 2-[2,5-bis(1-aziridinyl)-4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl]-2-methoxyethyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360702	.	.	.	.	418.4	C20H26N4O6	99.2	834	-0.3	30	0	8	7	"InChI=1S/C20H26N4O6/c1-13-16(22-7-8-22)19(27)15(17(18(13)26)23-9-10-23)14(29-2)11-30-20(28)24-5-3-21(12-25)4-6-24/h12,14H,3-11H2,1-2H3"	CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N3CCN(CC3)C=O)OC)N4CC4	OPZPXFXYAFEBOV-UHFFFAOYSA-N
DG52458	Methyl ciliarate	338441	"NSC360853; Ciliaric acid methyl ester; Methyl ciliarate; CHEMBL1980350; CILIARIC ACID, METHYL ESTER; NSC-360853; NCI60_003290"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	360853	.	.	.	.	316.5	C21H32O2	26.3	584	5.9	23	0	2	2	"InChI=1S/C21H32O2/c1-18-7-5-8-19(2,17(22)23-4)15(18)6-9-21-11-14-13(10-16(18)21)20(14,3)12-21/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16+,18-,19-,20+,21+/m1/s1"	C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2C[C@@H]5[C@@H](C3)[C@]5(C4)C)(C)C(=O)OC	DBYBRADCKQFKPC-GRPNHFIBSA-N
DG52459	"3-methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole"	338452	"MLS003171179; 30697-09-7; NSC361054; CHEMBL3183523; SCHEMBL11871194; DTXSID30320541; NSC-361054; SMR001875086; 2,3-Dihydro-3,3'-dimethyl-2,2'-bi[1H-indole]"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361054	.	.	.	.	262.3	C18H18N2	27.8	355	4.3	20	2	1	1	"InChI=1S/C18H18N2/c1-11-13-7-3-5-9-15(13)19-17(11)18-12(2)14-8-4-6-10-16(14)20-18/h3-11,17,19-20H,1-2H3"	CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)C	NQDOZQYNMBJQMG-UHFFFAOYSA-N
DG52460	"N-[6-[(3,4-dichlorophenyl)sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	338565	"NSC361667; Oprea1_546045; CHEMBL1966932; ZINC1040715; MCULE-9218138050; NSC-361667; NCI60_003299; N-[6-[(3,4-dichlorophenyl)sulfonylamino]-2-oxo-chromen-3-yl]acetamide; N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361667	.	.	.	.	427.3	C17H12Cl2N2O5S	110	736	3.1	27	2	6	4	"InChI=1S/C17H12Cl2N2O5S/c1-9(22)20-15-7-10-6-11(2-5-16(10)26-17(15)23)21-27(24,25)12-3-4-13(18)14(19)8-12/h2-8,21H,1H3,(H,20,22)"	CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC1=O	JEDUWQLGKBWCIG-UHFFFAOYSA-N
DG52461	"N-[6-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	338566	"NSC361668; CHEMBL366481; ZINC1040716; BDBM50056831; NSC-361668; NCI60_003300; N-[6-({[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}amino)-2-oxo-2H-chromen-3-yl]acetamide; N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide; N-[6-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-oxo-chromen-3-yl]acetamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361668	.	.	.	.	494.4	C19H12F6N2O5S	110	889	3.6	33	2	12	4	"InChI=1S/C19H12F6N2O5S/c1-9(28)26-15-5-10-4-13(2-3-16(10)32-17(15)29)27-33(30,31)14-7-11(18(20,21)22)6-12(8-14)19(23,24)25/h2-8,27H,1H3,(H,26,28)"	CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1=O	UHCCOXMYSYMFIY-UHFFFAOYSA-N
DG52462	"Chromeno(3,4-b)(1,4)benzothiazin-6(12H)-one"	338569	"75908-14-4; Chromeno(3,4-b)(1,4)benzothiazin-6(12H)-one; 12H-chromeno[3,4-b][1,4]benzothiazin-6-one; NSC361671; UNII-4HO2NF1XS3; 4HO2NF1XS3; Chromeno[3,4-b][1,4]benzothiazin-6(12H)-one; NSC 361671; Oprea1_529309; CHEMBL1977795; 6,12-Dihydrobenzo[b]chromeno[4,3-E][1,4]thiazin-6-one; DTXSID00226829; HMS1666G15; ZINC171741; CCG-54872; MCULE-3111856468; NSC-361671; NCI60_003301; Chromeno[3,4-b][1,4]benzothiazin-6(12H)-one #; SR-01000643935-1; BRD-K25113826-001-01-7"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	361671	.	.	.	.	267.3	C15H9NO2S	63.6	434	3.5	19	1	4	0	"InChI=1S/C15H9NO2S/c17-15-14-13(9-5-1-3-7-11(9)18-15)16-10-6-2-4-8-12(10)19-14/h1-8,16H"	C1=CC=C2C(=C1)C3=C(C(=O)O2)SC4=CC=CC=C4N3	BUPPVTUKPWAYCH-UHFFFAOYSA-N
DG52463	"6-Nitrobenzo[g]quinoxaline-5,10-dione"	338711	"72225-23-1; 6-nitrobenzo[g]quinoxaline-5,10-dione; NSC362342; CHEMBL2006359; SCHEMBL11409834; DTXSID10320625; ZINC1585074; NSC-362342; 6-nitro-benzo[g]quinoxaline-5,10-dione; NCI60_003310"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362342	.	.	.	.	255.19	C12H5N3O4	106	433	1.2	19	0	6	0	InChI=1S/C12H5N3O4/c16-11-6-2-1-3-7(15(18)19)8(6)12(17)10-9(11)13-4-5-14-10/h1-5H	C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=NC=CN=C3C2=O	NXVAFOXTJCRFRX-UHFFFAOYSA-N
DG52464	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide"	338739	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide; NSC362637; 77719-94-9; NSC 362637; CHEMBL2001766; DTXSID40228347; ZINC1585114; NSC-362637; 5-nitro-3,4-diphenyl-furan-2-carboxamide; DS-005603"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362637	.	.	.	.	308.29	C17H12N2O4	102	438	3.6	23	1	4	3	"InChI=1S/C17H12N2O4/c18-16(20)15-13(11-7-3-1-4-8-11)14(17(23-15)19(21)22)12-9-5-2-6-10-12/h1-10H,(H2,18,20)"	C1=CC=C(C=C1)C2=C(OC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)N	DJBRPVCAYZZUSS-UHFFFAOYSA-N
DG52465	"2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid"	338741	"NSC362639; 72177-30-1; DYO2ULQ3CL; UNII-DYO2ULQ3CL; MLS000756908; 2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid; NSC-362639; NSC 362639; NCIStruc1_001877; NCIStruc2_001972; CHEMBL1333823; DTXSID70222510; HMS2886O11; ZINC8830787; CCG-37044; NCGC00014827; NCI362639; NCGC00014827-02; NCGC00097928-01; 1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-; NCI60_003313; SMR000528988; DS-008194; 2-[2-(3,5-dihydroxy-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	362639	.	.	.	.	344.24	C13H8N6O6	170	743	0.1	25	4	8	3	"InChI=1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)"	C1=CC=C(C(=C1)C2=NNC(=O)NC2=O)N3C(=O)NC(=O)C(=N3)C(=O)O	IXKGNNQTJQVGKK-UHFFFAOYSA-N
DG52466	"Dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane"	338856	"NSC363143; dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane; NSC-363143; 1,4,7,10,13,16-Hexaoxacyclooctadecane compound with dichloro(diphenyl)stannane (1:1); NCI60_003322; Stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13, 16-hexaoxacyclooctadecane (1:1)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363143	.	.	.	.	608.1	C24H34Cl2O6Sn	55.4	282	.	33	0	6	2	InChI=1S/C12H24O6.2C6H5.2ClH.Sn/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-4-6-5-3-1;;;/h1-12H2;2*1-5H;2*1H;/q;;;;;+2/p-2	C1COCCOCCOCCOCCOCCO1.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl	OOPVFLFMNVTDQX-UHFFFAOYSA-L
DG52467	Veprisine	338941	VEPRISINE; NSC363785; 76525-26-3; CHEMBL21801; DTXSID00320710; ZINC1585373; NSC-363785; NCI60_003332	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363785	.	.	.	.	301.34	C17H19NO4	48	537	2.1	22	0	4	2	"InChI=1S/C17H19NO4/c1-17(2)9-8-11-14(22-17)10-6-7-12(20-4)15(21-5)13(10)18(3)16(11)19/h6-9H,1-5H3"	CC1(C=CC2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)C	DWZSQRJGZJNUEK-UHFFFAOYSA-N
DG52468	Bulleyanin	338942	"Bulleyanin; [(1S,2R,4S,6R,10R,11S)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate; Rabdosia bulleyana, kauranoid terpene isolated from; NSC363787; NSC-363787; NCI60_003333; Kaur-16-en-15-one,3,7,11-tetrakis(acetyloxy)-12-hydroxy-, (1.alpha.,3.beta.,7.beta.,11.beta.,12.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	363787	.	.	.	.	534.6	C28H38O10	143	1090	2.2	38	1	10	8	"InChI=1S/C28H38O10/c1-12-17-11-28(25(12)34)21(37-15(4)31)9-18-26(6,7)19(35-13(2)29)10-20(36-14(3)30)27(18,8)24(28)23(22(17)33)38-16(5)32/h17-24,33H,1,9-11H2,2-8H3/t17 ,18-,19+,20 ,21+,22 ,23+,24+,27 ,28+/m0/s1"	CC(=O)O[C@@H]1C[C@H]2C([C@@H](CC(C2([C@@H]3[C@@]14CC(C([C@H]3OC(=O)C)O)C(=C)C4=O)C)OC(=O)C)OC(=O)C)(C)C	UHAGZLPOLNCLEQ-IOEDPWSVSA-N
DG52469	"1-(1,2-Dimethyl-1H-pyrrolo(3,2-c)cinnolin-3-yl)ethanone"	339250	"82157-88-8; UNII-IH1L3XQE7W; NSC365081; IH1L3XQE7W; 1-(1,2-dimethylpyrrolo[3,2-c]cinnolin-3-yl)ethanone; 1-(1,2-Dimethyl-1H-pyrrolo(3,2-c)cinnolin-3-yl)ethanone; 1-(1,2-Dimethyl-1H-pyrrolo[3,2-c]cinnolin-3-yl)ethanone; NSC 365081; CHEMBL1968849; DTXSID40231598; ZINC1585743; NSC-365081; NCI60_003360"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365081	.	.	.	.	239.27	C14H13N3O	47.8	346	1.4	18	0	3	1	"InChI=1S/C14H13N3O/c1-8-12(9(2)18)13-14(17(8)3)10-6-4-5-7-11(10)15-16-13/h4-7H,1-3H3"	CC1=C(C2=C(N1C)C3=CC=CC=C3N=N2)C(=O)C	LMLWGKUBBGQXPP-UHFFFAOYSA-N
DG52470	"2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone"	339385	"13120-66-6; NSC365793; 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone; Perezon; NSC 365793; SCHEMBL3609799; CHEMBL1991715; NSC-365793; 2,5-Cyclohexadiene-1,4-dione,2-(1,5-dimethyl-4-hexen-1-yl)-3-hydroxy-5-methyl-; NCI60_003367; DS-003668; 2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-1,4-benzoquinone; 2-(1,5-dimethylhex-4-enyl)-3-hydroxy-5-methyl-1,4-benzoquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	365793	.	.	.	.	248.32	C15H20O3	54.4	460	3.4	18	1	3	4	"InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6,8,10,18H,5,7H2,1-4H3"	CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C	JZXORCGMYQZBBQ-UHFFFAOYSA-N
DG52471	N-Benzoyldeacetylthiocolchicine	339411	"N-Benzoyldeacetylthiocolchicine; MLS002702891; NSC366078; Colchicine, N-benzoyl-N-deacetyl-10-thio-; Benzamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)-; CHEMBL1726521; Thiocolchicine, N-benzoyl-N-deacetyl-; NSC-366078; N-(1,2,3-Trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)benzamide; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide; NCI60_003370; SMR001566709; Benzamide, {N-[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Benzamide, {N[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Benzamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-; N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]benzamide #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366078	.	.	.	.	477.6	C27H27NO5S	99.2	859	3.4	34	1	6	6	"InChI=1S/C27H27NO5S/c1-31-22-14-17-10-12-20(28-27(30)16-8-6-5-7-9-16)19-15-21(29)23(34-4)13-11-18(19)24(17)26(33-3)25(22)32-2/h5-9,11,13-15,20H,10,12H2,1-4H3,(H,28,30)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC	AHNUEGAJJOXHHL-UHFFFAOYSA-N
DG52472	Pyrazoloacridine mesylate	339454	"pyrazoloacridine mesylate; UNII-F152KXF5MA; 99009-21-9; F152KXF5MA; NSC366140; methanesulfonic acid;3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine; 2-(3-(Dimethylamino)propyl)-5-(hydroxy(oxido)amino)-9-methoxy-2,6-dihydropyrazolo(3,4,5-kl)acridine methanesulfonate; 2-(3-(Dimethylamino)propyl)-5-(hydroxy(oxido)amino)-9-methoxy-2,6-dihydropyrazolo[3,4,5-kl]acridine methanesulfonate; CHEMBL141769; DTXSID80912899; Q27277499; methanesulfonic acid; 3-[methoxy(nitro)[ ]yl]-N,N-dimethyl-propan-1-amine; {Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamine,} 9-methoxy-N, N-dimethyl-5-nitro-, monomethanesulfonate; Methanesulfonic acid--3-(9-methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethylpropan-1-amine (1/1); Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamine, 9-methoxy-N, N-dimethyl-5-nitro-, monomethanesulfonate; Pyrazolo[3,5-kl]acridine-2(6H)-propanamine, 9-methoxy-N,N-dimethyl-5-nitro-, monomethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366140	.	.	.	.	463.5	C20H25N5O6S	151	635	.	32	2	9	5	"InChI=1S/C19H21N5O3.CH4O3S/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19;1-5(2,3)4/h5-8,11,20H,4,9-10H2,1-3H3;1H3,(H,2,3,4)"	CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC.CS(=O)(=O)O	OKVKOKPUEQTYKI-UHFFFAOYSA-N
DG52473	Pyrazoloacridine	339455	"Pyrazoloacridine; 99009-20-8; PD-115934; NSC-366140; PD 115934; NSC 366140; UNII-L24XJN68OW; PD 115,934; NSC627168; L24XJN68OW; N,N-Dimethyl-9-methoxy-5-nitropyrazolo(3,4,5-kl)acridine-2(6H)-propanamine; Pyrazolo-acridine (free base); NSC-627168; NSC 366140; NSC 627168; PD 115934; PZA; BRN 4211902; CCRIS 9408; NCIMech_000572; Neuro_000206; Neuro_000260; SCHEMBL867991; CHEMBL118841; SCHEMBL6350605; ZINC3778885; CCG-35612; AKOS024419418; DB12549; MCULE-2955179343; SB17160; 9-Methoxy-N,N-dimethyl-5-nitro-2,6-dihydropyrazolo[3,4,5-kl]acridine-2-propanamine; Pyrazolo(3,4,5-kl)acridine-2(6H)-propanamine, N,N-dimethyl-9-methoxy-5-nitro-; NCI60_003371; NCI60_008612; 2-[(3-N',4,5-kl]acridine, free base; DS-001689; HY-108969; CS-0033826; Q27282607; Pyrazolo[3,4,5-kl]acridine-2(6H)-propanamide, 9-methoxy-N,N-dimethyl-; 2-[(3-N',N'-Dimethylamino)propyl]-9-methoxy-5-nitro-[6H]-pyrazolo[3,4,5-kl]acridine; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethyl-1-propanamine; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethyl-1-propanamine #; 3-(9-Methoxy-5-nitropyrazolo[3,4,5-kl]acridin-2(6H)-yl)-N,N-dimethylpropan-1-amine; (3-{4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.0 , .0  ,  ]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl}propyl)dimethylamine; 3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	627168	.	.	.	.	367.4	C19H21N5O3	88.1	542	3	27	1	6	5	"InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3"	CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC	HZCWPKGYTCJSEB-UHFFFAOYSA-N
DG52474	"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one"	339483	"NSC366220; 10,11-DIBROMO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE; ZINC1586018; AKOS024429545; MCULE-5007470428; NSC-366220"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	366220	.	.	.	.	364.03	C15H8Br2O	17.1	354	4.7	18	0	1	0	InChI=1S/C15H8Br2O/c16-13-9-5-1-3-7-11(9)15(18)12-8-4-2-6-10(12)14(13)17/h1-8H	C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3C2=O)Br)Br	RALNTXVWKBRYDU-UHFFFAOYSA-N
DG52475	5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine	339620	NSC367077; CHEMBL1988921; ZINC18126944; ZINC104236191; NSC-367077	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367077	.	.	.	.	291.73	C13H14ClN5O	85.8	322	3.3	20	1	6	4	"InChI=1S/C13H14ClN5O/c1-3-20-12-11(8(2)16-13(15)17-12)19-18-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)"	CCOC1=NC(=NC(=C1N=NC2=CC=C(C=C2)Cl)C)N	HXXYFQXBRTZKDQ-UHFFFAOYSA-N
DG52476	"2-Methoxy-5H-pyrido(3',2':5,6)(1,4)thiazino(2,3-b)quinoxaline"	339701	"74396-45-5; NSC367416; UNII-MP2Y265TQ7; MLS000756920; MP2Y265TQ7; 2-Methoxy-5H-pyrido(3',2':5,6)(1,4)thiazino(2,3-b)quinoxaline; 2-Methoxy-5H-pyrido[3',2':5,6][1,4]thiazino[2,3-b]quinoxaline; NSC 367416; Oprea1_451033; SCHEMBL2683012; CHEMBL1549568; ZINC85895; DTXSID50225382; HMS2852O21; NSC-367416; NCGC00246804-01; SMR000528993; DS-004215; 2-Methoxy-5h-pyrido(3,2:5,6)(1,4)thiazino(2,3-b)quinoxaline; Methyl 5H-pyrido[3',2':5,6][1,4]thiazino[2,3-b]quinoxalin-2-yl ether"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367416	.	.	.	.	282.32	C14H10N4OS	85.2	358	3.2	20	1	6	1	"InChI=1S/C14H10N4OS/c1-19-11-7-6-10-13(18-11)20-14-12(16-10)15-8-4-2-3-5-9(8)17-14/h2-7H,1H3,(H,15,16)"	COC1=NC2=C(C=C1)NC3=NC4=CC=CC=C4N=C3S2	LQIKBHOZELDRRD-UHFFFAOYSA-N
DG52477	"Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	339703	"MLS003171239; NSC367428; 65905-96-6; Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate; SMR001875145; 5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2,6-dioxo-, methyl ester; NSC 367428; methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate; cid_339703; CHEMBL1970585; SCHEMBL11233534; BDBM96303; DTXSID80984379; NSC-367428; NCI60_003382; DS-011462; 5-Pyrimidinecarboxylic acid,6-dioxo-, methyl ester; 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylic acid methyl ester; methyl 5-fluoro-4-methoxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate; 5-fluoro-2,4-diketo-6-methoxy-hexahydropyrimidine-5-carboxylic acid methyl ester; 5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2, 6-dioxo-, methyl ester; methyl 5-fluoranyl-4-methoxy-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate; Methyl 5-fluoro-2,6-dihydroxy-4-methoxy-4,5-dihydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367428	.	.	.	.	220.16	C7H9FN2O5	93.7	321	-0.7	15	2	6	3	"InChI=1S/C7H9FN2O5/c1-14-4-7(8,5(12)15-2)3(11)9-6(13)10-4/h4H,1-2H3,(H2,9,10,11,13)"	COC1C(C(=O)NC(=O)N1)(C(=O)OC)F	CMZYDQKKDNXWKW-UHFFFAOYSA-N
DG52478	N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide	339736	MLS000756922; N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide; SMR000459252; NSC367480; Maybridge1_004665; Oprea1_477092; MLS000859073; SCHEMBL6566353; CHEMBL1359925; HMS554M01; HMS2786N09; ZINC12469627; CCG-253236; MCULE-4804724520; NSC-367480	.	.	Investigative Drug(s)	Investigative	Small molecular drug	367480	.	.	.	.	297.74	C16H12ClN3O	57.8	351	3.7	21	2	2	3	"InChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20,21)"	C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=C(C=C3)Cl	MCEUEMILDHFTQG-UHFFFAOYSA-N
DG52479	"6-[(3,4-Dimethoxyphenyl)(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol"	339886	"NSC-368252; 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol; 102616-62-6; NSC368252; cid_339886; CHEMBL1565145; SCHEMBL15033487; BDBM41986; 6-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol; STK632730; AKOS004939188; MCULE-4506931539; 6-[(3,4-dimethoxyphenyl)-morpholino-methyl]sesamol; 6-((3,4-Dimethoxyphenyl)(morpholino)methyl)benzo[d][1,3]dioxol-5-ol; 6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol; 6-[(3,4-dimethoxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368252	.	.	.	.	373.4	C20H23NO6	69.6	473	2.5	27	1	7	5	"InChI=1S/C20H23NO6/c1-23-16-4-3-13(9-17(16)24-2)20(21-5-7-25-8-6-21)14-10-18-19(11-15(14)22)27-12-26-18/h3-4,9-11,20,22H,5-8,12H2,1-2H3"	COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4)OC	POUGOEFZYGQTHG-UHFFFAOYSA-N
DG52480	"6-[Piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol"	339887	"6-[piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 102616-82-0; 6-(Piperidin-1-yl(3,4,5-trimethoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol; NSC368253; cid_339887; CHEMBL1570211; BDBM41985; MFCD00667388; NSC-368253; NCI60_003388; 6-[piperidino-(3,4,5-trimethoxyphenyl)methyl]sesamol; 1, 6-[1-piperidinyl(3,4,5-trimethoxyphenyl)methyl]-; 1, 6-[[(3,4,5-trimethoxyphenyl)(1-piperidinyl)]methyl]-; 6-[1-piperidinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	368253	.	.	.	.	401.5	C22H27NO6	69.6	502	3.7	29	1	7	6	"InChI=1S/C22H27NO6/c1-25-19-9-14(10-20(26-2)22(19)27-3)21(23-7-5-4-6-8-23)15-11-17-18(12-16(15)24)29-13-28-17/h9-12,21,24H,4-8,13H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCCC4	AOFTVDRTEGBGAK-UHFFFAOYSA-N
DG52481	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine"	339983	"NSC369066; MLS000756926; 2-(3-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine; 2-(3-Nitro-phenyl)-3-nitroso-imidazo[1,2-a]pyrimidine; CHEMBL1420556; SCHEMBL22774371; ZINC5479118; NSC-369066; SMR000450066; 2-(3-nitrophenyl)-3-nitroso-imidazo[1,2-a]pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369066	.	.	.	.	269.22	C12H7N5O3	105	388	2.3	20	0	6	1	InChI=1S/C12H7N5O3/c18-15-11-10(14-12-13-5-2-6-16(11)12)8-3-1-4-9(7-8)17(19)20/h1-7H	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CC=NC3=N2)N=O	QPWJAIUKYMKWGA-UHFFFAOYSA-N
DG52482	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine"	339984	NSC369067; CHEMBL1990813; ZINC5479119; NSC-369067	.	.	Investigative Drug(s)	Investigative	Small molecular drug	369067	.	.	.	.	269.22	C12H7N5O3	105	388	1.9	20	0	6	1	InChI=1S/C12H7N5O3/c18-15-12-11(14-10-7-13-4-5-16(10)12)8-2-1-3-9(6-8)17(19)20/h1-7H	C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CN=CC3=N2)N=O	ONSOYMLQPOYHMD-UHFFFAOYSA-N
DG52483	"6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol"	340208	"116409-29-1; 6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol; NSC370284; NSC 370284; 6-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; cid_340208; CHEMBL1557864; SCHEMBL21808862; BDBM41970; DTXSID70922063; AKOS024282084; MCULE-7381068085; NSC-370284; NCI60_003410; 6-[pyrrolidino-(3,4,5-trimethoxyphenyl)methyl]sesamol; 6-[(1-Pyrrolidinyl)(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 6-[(3,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-benzodioxol-5-ol; 6-[1-pyrrolidinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol; {6-[(3,4,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,} 3-benzodioxol-5-ol; 6-(Pyrrolidin-1-yl(3,4,5-trimethoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol; 6-[(Pyrrolidin-1-yl)(3,4,5-trimethoxyphenyl)methyl]-2H-1,3-benzodioxol-5-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370284	.	.	.	.	387.4	C21H25NO6	69.6	487	3.3	28	1	7	6	"InChI=1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3"	COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4	QCXGNLZKUHBIHD-UHFFFAOYSA-N
DG52484	"3-thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole"	340251	"52837-61-3; NSC370463; 3-thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole; SCHEMBL2682219; DTXSID00321121; ZINC8651660; NSC-370463"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	370463	.	.	.	.	252.3	C15H12N2S	56.9	309	3.5	18	1	2	1	"InChI=1S/C15H12N2S/c1-2-5-11-10(4-1)7-8-12-14(11)16-17-15(12)13-6-3-9-18-13/h1-6,9H,7-8H2,(H,16,17)"	C1CC2=C(NN=C2C3=CC=CC=C31)C4=CC=CS4	WNMWTQISTURZQG-UHFFFAOYSA-N
DG52485	1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea	340699	NSC371722; ZINC1588268; NSC-371722	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371722	.	.	.	.	551.3	C22H14Cl2F6N4O2	82.3	712	6.1	36	4	8	4	"InChI=1S/C22H14Cl2F6N4O2/c23-15-6-4-11(21(25,26)27)8-17(15)33-19(35)31-13-2-1-3-14(10-13)32-20(36)34-18-9-12(22(28,29)30)5-7-16(18)24/h1-10H,(H2,31,33,35)(H2,32,34,36)"	C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl	IKMXRDUWNLKSBD-UHFFFAOYSA-N
DG52486	"(2-((2-Aminophenyl)thio)-2-(1,3-benzodioxol-5-yl)ethyl)(hydroxy)azane oxide"	340720	"NSC371777; NSC-371777; Cyto9H5; Oprea1_086590; SCHEMBL1258527; CHEMBL1977539; MCULE-4202224254; NCI60_003432; MLS-0315901.0001; (2-((2-aminophenyl)thio)-2-(1,3-benzodioxol-5-yl)ethyl)(hydroxy)azane oxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371777	.	.	.	.	318.3	C15H14N2O4S	116	392	2.9	22	1	6	4	"InChI=1S/C15H14N2O4S/c16-11-3-1-2-4-14(11)22-15(8-17(18)19)10-5-6-12-13(7-10)21-9-20-12/h1-7,15H,8-9,16H2"	C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N	GOZMYDAYGPERLQ-UHFFFAOYSA-N
DG52487	"7-methoxy-3-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole"	340765	NSC371846; NCIMech_000562; CHEMBL2003198; ZINC5479254; CCG-35583; NSC-371846; NCI60_003433	.	.	Investigative Drug(s)	Investigative	Small molecular drug	371846	.	.	.	.	398.5	C24H22N4O2	75.8	568	4.1	30	2	4	3	"InChI=1S/C24H22N4O2/c1-29-15-5-9-17-13(11-15)3-7-19-21(17)25-27-23(19)24-20-8-4-14-12-16(30-2)6-10-18(14)22(20)26-28-24/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,27)(H,26,28)"	COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C4=C5CCC6=C(C5=NN4)C=CC(=C6)OC	SYDAHIUDHIKUAF-UHFFFAOYSA-N
DG52488	"2-(5-(benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol"	340877	"NSC372074; NSC-372074; CHEMBL2006036; 2-(5-(benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol; NCI60_003445"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372074	.	.	.	.	336.3	C19H16N2O4	97.6	544	2.7	25	3	5	4	"InChI=1S/C19H16N2O4/c20-19-17(23)16(22)18(25-19)14-9-21-15-7-6-12(8-13(14)15)24-10-11-4-2-1-3-5-11/h1-9,18,21,23H,10,20H2"	C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4C(=O)C(=C(O4)N)O	SOQBQROVZZERKD-UHFFFAOYSA-N
DG52489	"2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine"	340916	"NSC372146; MLS002701871; 2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine; CHEMBL1905379; ZINC1588518; NSC-372146; NCI60_003447; SMR001565461; 1,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-; 1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372146	.	.	.	.	305.3	C18H15N3O2	57.1	351	5.1	23	0	5	5	"InChI=1S/C18H15N3O2/c1-13(2)16-19-17(22-14-9-5-3-6-10-14)21-18(20-16)23-15-11-7-4-8-12-15/h3-12H,1H2,2H3"	CC(=C)C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3	TUHFYDGLBUXMEC-UHFFFAOYSA-N
DG52490	Kerriamycin B	340932	"Kerriamycin B; NSC372208; 98474-21-6; Antibiotic A 32Y2; 9-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-3,4a,8-trihydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione; Urdamycin A; Kerriamycin B; CHEMBL1995763; DTXSID00913262; NSC606397; BS-1517; NSC-372208; NSC-606397; NCI60_003450; NCI60_004661; 1,5-Anhydro-2,6-dideoxy-3-O-{5-[(2,6-dideoxyhexopyranosyl)oxy]-6-methyloxan-2-yl}-1-{3,4a,8-trihydroxy-12b-[(5-hydroxy-6-methyloxan-2-yl)oxy]-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetrap"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372208	.	.	.	.	844.9	C43H56O17	257	1740	0.4	60	7	17	7	"InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3"	CC1C(CCC(O1)OC23C(=O)CC(CC2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)C6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)(C)O)O	FJSYXNOFZQFOAN-UHFFFAOYSA-N
DG52491	"4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one)"	341016	"CHEMBL337153; NSC372364; SCHEMBL14206505; ZINC5479283; BDBM50107133; NSC-372364; 4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one); 4-(7-oxo-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-4-ylsulfonyl)-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372364	.	.	.	.	602.6	C36H18N4O4S	112	1260	6.8	45	0	6	2	"InChI=1S/C36H18N4O4S/c41-35-23-15-17-29(19-7-5-9-21(31(19)23)33-37-25-11-1-3-13-27(25)39(33)35)45(43,44)30-18-16-24-32-20(30)8-6-10-22(32)34-38-26-12-2-4-14-28(26)40(34)36(24)42/h1-18H"	C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)S(=O)(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N9C8=NC1=CC=CC=C19	PAZQQCMVOCVSQF-UHFFFAOYSA-N
DG52492	"7,8-Dimethyl-3,4-dihydro-2H-1,5-benzodioxepine-6,9-dione"	341020	"7,8-Dimethyl-3,4-dihydro-2H-1,5-benzodioxepine-6,9-dione; 70661-28-8; NSC372390; UNII-CFG0931IY0; CFG0931IY0; NSC 372390; CHEMBL1971418; DTXSID20220945; ZINC1588649; NSC-372390; NCI60_003458"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372390	.	.	.	.	208.21	C11H12O4	52.6	365	1.3	15	0	4	0	"InChI=1S/C11H12O4/c1-6-7(2)9(13)11-10(8(6)12)14-4-3-5-15-11/h3-5H2,1-2H3"	CC1=C(C(=O)C2=C(C1=O)OCCCO2)C	YQLZSRJSXMDSRZ-UHFFFAOYSA-N
DG52493	NSC372585	341099	"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol; NSC372585; CHEMBL1987829; NSC-372585; NCI60_003465"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372585	.	.	.	.	632.7	C34H36N2O10	138	862	5.7	46	4	12	13	"InChI=1S/C34H36N2O10/c1-39-25-7-5-19(11-27(25)41-3)33(21-13-29-31(15-23(21)37)45-17-43-29)35-9-10-36-34(20-6-8-26(40-2)28(12-20)42-4)22-14-30-32(16-24(22)38)46-18-44-30/h5-8,11-16,33-38H,9-10,17-18H2,1-4H3"	COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NCCNC(C4=CC(=C(C=C4)OC)OC)C5=CC6=C(C=C5O)OCO6)OC	URYLRAKDSCHUMZ-UHFFFAOYSA-N
DG52494	"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	341263	"CHEMBL79279; NSC372944; BDBM50405800; NSC-372944; NCI60_003470; 2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372944	.	.	.	.	343.38	C16H21N7O2	139	454	1.1	25	3	8	3	"InChI=1S/C16H21N7O2/c1-2-11-14(15(17)21-16(18)20-11)10-3-4-12(13(9-10)23(24)25)22-7-5-19-6-8-22/h3-4,9,19H,2,5-8H2,1H3,(H4,17,18,20,21)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]	DGLCLFKOBNTETD-UHFFFAOYSA-N
DG52495	"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	341268	"NSC372950; CHEMBL55526; 113494-46-5; DTXSID30321290; BDBM50058415; ZINC18102337; ZINC104241168; NSC-372950; NCI60_003471; 2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylformamidinophenyl)pyrimidine; 5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; N''-[2-Chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-phenyl]-N,N-dimethyl-formamidine; N'-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]-N,N-dimethyl-formamidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	372950	.	.	.	.	318.8	C15H19ClN6	93.4	377	2.1	22	2	5	4	"InChI=1S/C15H19ClN6/c1-4-11-13(14(17)21-15(18)20-11)9-5-6-10(16)12(7-9)19-8-22(2)3/h5-8H,4H2,1-3H3,(H4,17,18,20,21)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=CN(C)C	JHYUQAGPICBQOR-UHFFFAOYSA-N
DG52496	N-(Formyldeacetyl)thiocolchicine	341279	"NSC373031; MLS002702894; 2731-23-9; N-(Formyldeacetyl)thiocolchicine; N-Deacetyl-N-formyl-10-thiocolchicine; COLCHICINE, N-DEACETYL-N-FORMYL-10-THIO-; CHEMBL1707775; N-Deacetyl-N-formylthiocolchicine; N-FORMYLDEACETYLTHIOCOLCHICINE; NSC-373031; N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide; NCI60_003473; SMR001566712; 1,2,3-Trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylformamide; 1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-ylformamide #; Formamide, {N-[5,6,7,9-tetrahydro-1,2,} {3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,} (S)-; Formamide,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373031	.	.	.	.	401.5	C21H23NO5S	99.2	701	1.8	28	1	6	5	"InChI=1S/C21H23NO5S/c1-25-17-9-12-5-7-15(22-11-23)14-10-16(24)18(28-4)8-6-13(14)19(12)21(27-3)20(17)26-2/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)"	COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC	QWMGUEXZTDFFTR-UHFFFAOYSA-N
DG52497	N-(Vinyloxycarbonyl)deacetylthiocolchicine	341280	"97043-05-5; MLS002702895; NSC373032; CHEMBL274726; DTXSID70914201; ZINC1997350; NSC-373032; NCI60_003474; N-(VINYLOXYCARBONYL)DEACETYLTHIOCOLCHICINE; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethenyl ester; Carbamic acid,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethenyl ester, (S)-; Ethenyl hydrogen [1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]carbonimidate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373032	.	.	.	.	443.5	C23H25NO6S	108	804	2.7	31	1	7	7	"InChI=1S/C23H25NO6S/c1-6-30-23(26)24-16-9-7-13-11-18(27-2)21(28-3)22(29-4)20(13)14-8-10-19(31-5)17(25)12-15(14)16/h6,8,10-12,16H,1,7,9H2,2-5H3,(H,24,26)/t16-/m0/s1"	COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC	QNPQOSKMAOKAKA-INIZCTEOSA-N
DG52498	"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate"	341281	NSC373045; CHEMBL1971043; ZINC1588904; NSC-373045	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373045	.	.	.	.	582.6	C33H30N2O8	145	1080	6.2	43	1	9	11	"InChI=1S/C33H30N2O8/c1-5-42-32(38)28-26(30(36)21-14-10-19(3)11-15-21)25(23-8-7-9-24(18-23)35(40)41)27(29(34-28)33(39)43-6-2)31(37)22-16-12-20(4)13-17-22/h7-18,25,34H,5-6H2,1-4H3"	CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C	QFVIGIFTYGBDJM-UHFFFAOYSA-N
DG52499	[2-[(4-chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate	341374	NSC373300; ZINC1588988; NSC-373300	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373300	.	.	.	.	410.3	C19H21Cl2N3O3	79.5	518	4.4	27	3	3	6	"InChI=1S/C19H21Cl2N3O3/c1-12-9-14(21)7-8-16(12)23-17(25)24-19(2,3)11-27-18(26)22-15-6-4-5-13(20)10-15/h4-10H,11H2,1-3H3,(H,22,26)(H2,23,24,25)"	CC1=C(C=CC(=C1)Cl)NC(=O)NC(C)(C)COC(=O)NC2=CC(=CC=C2)Cl	MGNFKTGRQZWELS-UHFFFAOYSA-N
DG52500	NSC373355	341380	"[(1R,2S,10R,12R,13S)-12-cyano-8-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-16,19-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),17-pentaen-5-yl] 2-hydroxyacetate; NSC373355; CHEMBL1994184; SCHEMBL12267004; NSC-373355; NCI60_003479"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373355	.	.	.	.	622.6	C31H34N4O10	196	1430	0.1	45	3	13	8	"InChI=1S/C31H34N4O10/c1-12-25(39)15-7-17-19(9-32)35-18(24(34(17)4)23(15)27(41)29(12)43-5)8-16-22(20(35)10-33-31(42)14(3)37)26(40)30(44-6)13(2)28(16)45-21(38)11-36/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18-,19-,20-,24-/m0/s1"	CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=O)C(=C(C5=O)OC)C)CNC(=O)C(=O)C)C(=C1OC)O)OC(=O)CO	OBXNNTHNWJZCST-HPGFDKJQSA-N
DG52501	"N-(2,6-Dioxo-3-piperidinyl)benzamide"	341427	"N-(2,6-Dioxo-3-piperidinyl)benzamide; N-(2,6-dioxopiperidin-3-yl)benzamide; 91393-02-1; NSC373535; MLS000757124; NSC-373535; NSC 373535; SCHEMBL5742534; CHEMBL1594734; HMS2885E10; N-(2,6-dioxo-3-piperidyl)benzamide; 3-(benzoyl)aminopiperidine-2,6-dione; AKOS013894836; N-(2,6-Dioxopiperidine-3-yl)benzamide; NCI60_003481; SMR000529006; CS-0233496"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373535	.	.	.	.	232.23	C12H12N2O3	75.3	335	0.4	17	2	3	2	"InChI=1S/C12H12N2O3/c15-10-7-6-9(12(17)14-10)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15,17)"	C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2	QDCDITVKCKBZTO-UHFFFAOYSA-N
DG52502	"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate"	341502	MLS002701874; SMR001565464; 85827-97-0; NSC373814; cid_341502; CHEMBL1736490; BDBM93507; DTXSID30321356; NSC-373814; NCI60_003486	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373814	.	.	.	.	310.3	C18H14O5	61.8	518	2.2	23	0	5	4	"InChI=1S/C18H14O5/c1-21-17(19)13-14(18(20)22-2)16-12-8-10-6-4-3-5-9(10)7-11(12)15(13)23-16/h3-8,15-16H,1-2H3"	COC(=O)C1=C(C2C3=CC4=CC=CC=C4C=C3C1O2)C(=O)OC	RRCFMWLKXOAGCC-UHFFFAOYSA-N
DG52503	"2-Chloro-6-methoxyquinoline-5,8-dione"	341543	"2-chloro-6-methoxyquinoline-5,8-dione; MLS003171321; 42065-07-6; SMR001875222; NSC373911; CHEMBL71466; cid_341543; BDBM91519; DTXSID60321364; ZINC1589194; NSC-373911; 2-chloro-6-methoxy-quinoline-5,8-quinone; 2-chloranyl-6-methoxy-quinoline-5,8-dione; 2-Chloro-6-methoxy-5,8-dihydroquinoline-5,8-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373911	.	.	.	.	223.61	C10H6ClNO3	56.3	340	1.9	15	0	4	1	"InChI=1S/C10H6ClNO3/c1-15-7-4-6(13)9-5(10(7)14)2-3-8(11)12-9/h2-4H,1H3"	COC1=CC(=O)C2=C(C1=O)C=CC(=N2)Cl	FJEPCSBUTWZVLD-UHFFFAOYSA-N
DG52504	"(2,6-dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine"	341772	"NSC375086; NSC-375086; NCIStruc1_001615; NCIStruc2_000676; CHEMBL1610577; ZINC1589490; CCG-37235; NCGC00014874; NCI375086; NCGC00014874-02; NCGC00097975-01; NCI60_003513; (2,6-dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine; Methanediamine,6-dichlorophenyl)-N,N'- bis(1,3,4-thiadiazol-2-yl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375086	.	.	.	.	359.3	C11H8Cl2N6S2	132	314	4	21	2	8	5	"InChI=1S/C11H8Cl2N6S2/c12-6-2-1-3-7(13)8(6)9(16-10-18-14-4-20-10)17-11-19-15-5-21-11/h1-5,9H,(H,16,18)(H,17,19)"	C1=CC(=C(C(=C1)Cl)C(NC2=NN=CS2)NC3=NN=CS3)Cl	CZPVKGRQYZJYFU-UHFFFAOYSA-N
DG52505	"9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-"	341818	"MLS003171337; SMR001875238; 9H-Thioxanthen-9-one, 1-[2-(dimethylamino)ethylamino]-7-hydroxy-; 86456-31-7; NSC375389; cid_341818; CHEMBL1866557; BDBM94866; DTXSID80321442; ZINC5487738; NSC-375389; 1-(2-dimethylaminoethylamino)-7-hydroxythioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-thioxanthenone; 1-[2-(dimethylamino)ethylamino]-7-hydroxythioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-hydroxy-thioxanthen-9-one; 1-[2-(dimethylamino)ethylamino]-7-oxidanyl-thioxanthen-9-one; 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375389	.	.	.	.	314.4	C17H18N2O2S	77.9	404	3.7	22	2	5	4	"InChI=1S/C17H18N2O2S/c1-19(2)9-8-18-13-4-3-5-15-16(13)17(21)12-10-11(20)6-7-14(12)22-15/h3-7,10,18,20H,8-9H2,1-2H3"	CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O	LIXQKVJTQBUEPZ-UHFFFAOYSA-N
DG52506	6-beta-hydroxy-Loganin	341846	"NSC375867; 84395-22-2; 6-beta-Hydroxyloganin; 6-.beta.-hydroxy-Loganin; Loganin, 6-.beta.-hydroxy-; CHEMBL1980462; LOGANIN, 6-BETA-HYDROXY; DTXSID901004668; NSC-375867; NCI60_003529; methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375867	.	.	.	.	406.4	C17H26O11	175	610	-2.4	28	6	11	5	"InChI=1S/C17H26O11/c1-5-8-9(12(21)10(5)19)6(15(24)25-2)4-26-16(8)28-17-14(23)13(22)11(20)7(3-18)27-17/h4-5,7-14,16-23H,3H2,1-2H3/t5-,7 ,8+,9+,10-,11 ,12+,13 ,14 ,16+,17 /m1/s1"	C[C@@H]1[C@H]2[C@@H]([C@@H]([C@@H]1O)O)C(=CO[C@H]2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC	QDEYKGKBMCIYCT-IIBPOAPYSA-N
DG52507	"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol"	341872	"NSC375985; NSC-375985; 4-methyl[1]benzofuro[3,2-g]quinolin-2-ol; NCIStruc1_000830; NCIStruc2_001143; CHEMBL1742210; SCHEMBL12819826; BDBM32637; ZINC8830788; CCG-38123; NCGC00014876; NCI375985; NCGC00014876-02; NCGC00097977-01; NCI60_003531"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	375985	.	.	.	.	249.26	C16H11NO2	42.2	431	3	19	1	2	0	"InChI=1S/C16H11NO2/c1-9-6-16(18)17-13-8-15-12(7-11(9)13)10-4-2-3-5-14(10)19-15/h2-8H,1H3,(H,17,18)"	CC1=CC(=O)NC2=CC3=C(C=C12)C4=CC=CC=C4O3	PXTUEOYAGPJNRJ-UHFFFAOYSA-N
DG52508	Nordracorubin	341882	"NORDRACORUBIN; NSC376248; 35290-22-3; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano(2,3,4-kl:2',3'-a)xanthen-9-one; nor-Dracorubin; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano[2,3,4-kl:2',3'-a]xanthen-9-one; NSC 376248; methoxy(diphenyl)[ ]one; CHEMBL1996924; CHEBI:185961; NSC-376248; 2H,9H-Dipyrano[2,3-a:2',3',4'-kl]xanthen-9-one, 3,4-dihydro-5-methoxy-2,12-diphenyl-, (-)-; NCI60_003535; 5-Methoxy-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano[2,3-a:2,3,4-kl]xanthen-9-one #; 9-methoxy-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376248	.	.	.	.	474.5	C31H22O5	54	1020	5	36	0	5	3	"InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3"	COC1=C2CCC(OC2=C3C(=C1)OC4=CC(=O)C=C5C4=C3C=C(O5)C6=CC=CC=C6)C7=CC=CC=C7	ZKOTWKIEVACBFM-UHFFFAOYSA-N
DG52509	"(S)-5,7,9-Tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[A]heptalen-7-ylcarbamic acid, ethyl ester"	341883	"NSC376251; CHEMBL1964524; NSC-376251; NCI60_003536; (S)-5,7,9-TETRAHYDRO-3-HYDROXY-1,2-DIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO[A]HEPTALEN-7-YLCARBAMIC ACID, ETHYL ESTER; Carbamic acid,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl, ethyl ester, (S)-; Carbamic acid,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, ethyl ester, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376251	.	.	.	.	431.5	C22H25NO6S	119	761	2.2	30	2	7	6	"InChI=1S/C22H25NO6S/c1-5-29-22(26)23-15-8-6-12-10-17(25)20(27-2)21(28-3)19(12)13-7-9-18(30-4)16(24)11-14(13)15/h7,9-11,15,25H,5-6,8H2,1-4H3,(H,23,26)/t15-/m0/s1"	CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O	ADERDEOPUPHMEJ-HNNXBMFYSA-N
DG52510	"(6aS)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione"	341886	"NSC376254; MLS002701702; CHEMBL268694; ZINC5618884; NSC-376254; NCI60_003537; (6aS)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione; Indeno[1,11-dione, 6-methyl- 5-(methylsulfonyloxy)-5,6,6a,11a-tetrahydro- 2,3,8-trimethoxy-, cis-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376254	.	.	.	.	447.5	C21H21NO8S	117	826	1.6	31	0	8	5	"InChI=1S/C21H21NO8S/c1-22-19-11-7-16(29-4)17(30-31(5,25)26)8-12(11)20(23)18(19)10-6-14(27-2)15(28-3)9-13(10)21(22)24/h6-9,18-19H,1-5H3/t18-,19-/m1/s1"	CN1[C@H]2[C@@H](C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC(=C(C=C24)OC)OS(=O)(=O)C	GPIZRQJCJKRCLG-RTBURBONSA-N
DG52511	"N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide"	341959	"NSC376484; CHEMBL1968936; 3-Pyrrolidinecarboxamide, N-(3,4-dichlorophenyl)-2, 4-dioxo-1-phenyl-; NSC-376484; NCI60_003547; 3-Pyrrolidinecarboxamide,4-dichlorophenyl)-2,4-dioxo-1-phenyl-; N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide; N-(3,4-dichlorophenyl)-2,4-dioxo-1-phenyl-pyrrolidine-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376484	.	.	.	.	363.2	C17H12Cl2N2O3	66.5	522	3.4	24	1	3	3	"InChI=1S/C17H12Cl2N2O3/c18-12-7-6-10(8-13(12)19)20-16(23)15-14(22)9-21(17(15)24)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,20,23)"	C1C(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl	YRWHBNJWWWTHNR-UHFFFAOYSA-N
DG52512	"4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-"	341961	"NSC376598; CHEMBL304974; NSC-376598; NCI60_003549; 4,4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376598	.	.	.	.	334.32	C16H18N2O6	115	638	-0.4	24	2	6	2	"InChI=1S/C16H18N2O6/c19-3-17-13(21)9-5-1-2-6(10(9)14(17)22)8-7(5)11-12(8)16(24)18(4-20)15(11)23/h5-12,19-20H,1-4H2"	C1CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO	RBVWZKYMWFROTK-UHFFFAOYSA-N
DG52513	NSC376739	341996	"5, 10-[(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-; CHEMBL1992472; NSC376739; NSC-376739; NCI60_003550; 5, 10-[(2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	376739	.	.	.	.	544.5	C27H28O12	200	972	1.5	39	6	12	5	"InChI=1S/C27H28O12/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,28-29,31,33,35-36H,6-9H2,1-2H3/t10 ,13 ,15 ,17 ,22 ,27-/m0/s1"	CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O	HEQRYQONNHFDHG-UFIVDHBISA-N
DG52514	"2-Ethynyl-5-methoxybenzo-1,4-quinone"	342085	"2-Ethynyl-5-methoxybenzo-1,4-quinone; 82511-23-7; NSC377174; UNII-YNS772IK61; YNS772IK61; NSC 377174; CHEMBL1967214; DTXSID20231819; ZINC1590343; 2-ethynyl-5-methoxy-1,4-benzoquinone; NSC-377174; NCI60_003554"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377174	.	.	.	.	162.14	C9H6O3	43.4	349	0.5	12	0	3	2	"InChI=1S/C9H6O3/c1-3-6-4-8(11)9(12-2)5-7(6)10/h1,4-5H,2H3"	COC1=CC(=O)C(=CC1=O)C#C	ISBDNZMXGHATOW-UHFFFAOYSA-N
DG52515	"8-Quinolinyl 2,6-dichlorophenylcarbamate"	342123	"MLS003171367; NSC377396; CHEMBL1871919; ZINC398071; AKOS024336695; MCULE-5034211574; NSC-377396; 8-quinolinyl 2,6-dichlorophenylcarbamate; SMR001875267"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377396	.	.	.	.	333.2	C16H10Cl2N2O2	51.2	386	4.7	22	1	3	3	"InChI=1S/C16H10Cl2N2O2/c17-11-6-2-7-12(18)15(11)20-16(21)22-13-8-1-4-10-5-3-9-19-14(10)13/h1-9H,(H,20,21)"	C1=CC2=C(C(=C1)OC(=O)NC3=C(C=CC=C3Cl)Cl)N=CC=C2	NRZQZRPKUKHRFS-UHFFFAOYSA-N
DG52516	5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate	342201	MLS000757136; NSC-377852; 5-chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate; NSC377852; CHEMBL1466186; ZINC1590480; AKOS024431677; MCULE-1143231627; SMR000529013	.	.	Investigative Drug(s)	Investigative	Small molecular drug	377852	.	.	.	.	366.7	C17H10ClF3N2O2	51.2	477	4.8	25	1	6	3	"InChI=1S/C17H10ClF3N2O2/c18-13-6-7-14(15-12(13)5-2-8-22-15)25-16(24)23-11-4-1-3-10(9-11)17(19,20)21/h1-9H,(H,23,24)"	C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F	AJQUXBOOWNSFII-UHFFFAOYSA-N
DG52517	Sipholenone-A	342375	"SIPHOLENONE-A; NSC378978; 78518-74-8; (5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one; SIPHOLENONE; CHEMBL1985900; DTXSID40321625; NSC-378978; NCI60_003572"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	378978	.	.	.	.	474.7	C30H50O4	66.8	843	5.1	34	2	4	3	"InChI=1S/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-23,25,32-33H,10-18H2,1-8H3/t20-,21+,22+,23+,25+,28+,29+,30-/m0/s1"	CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C([C@H]1CC[C@@H]3[C@]4(CCC(=O)C(O[C@@H]4CC[C@]3(C)O)(C)C)C)(C)C	LKZQMXLIWZQEEU-KOGSSWOMSA-N
DG52518	"1(2H)-Pyrimidinepropanoic acid,4-dihydro-2,4-dioxo-, ester with omega-methyl-alpha-hydroxypoly (oxy-1,2-ethanediyl)"	342397	"NSC381811; ZINC1590746; NSC379107; NSC-379107; NSC-381811; 1(2H)-Pyrimidinepropanoic acid,4-dihydro- 2,4-dioxo-, ester with .omega.-methyl-.alpha.-hydroxypoly (oxy-1,2-ethanediyl); Poly(oxy-1, .alpha.-methyl-.omega.-[[3- (5-fluoro-1,2,3,4-tetrahydro-2,4-dioxo-1-pyrimidinyl)- 1-oxopropyl]oxy]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381811	.	.	.	.	260.22	C10H13FN2O5	84.9	383	-0.7	18	1	6	7	"InChI=1S/C10H13FN2O5/c1-17-4-5-18-8(14)2-3-13-6-7(11)9(15)12-10(13)16/h6H,2-5H2,1H3,(H,12,15,16)"	COCCOC(=O)CCN1C=C(C(=O)NC1=O)F	LBLBUPMUZXNKSA-UHFFFAOYSA-N
DG52519	7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one	342449	7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one; 72478-67-2; NSC379398; CHEMBL1968586; SCHEMBL11432529; DTXSID60321642; ZINC159432; NSC-379398; 4-methyl-7-(2'-bromoallyloxy) coumarin; NCI60_003574	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379398	.	.	.	.	295.13	C13H11BrO3	35.5	362	3.4	17	0	3	3	"InChI=1S/C13H11BrO3/c1-8-5-13(15)17-12-6-10(3-4-11(8)12)16-7-9(2)14/h3-6H,2,7H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Br	SIEZLKYPPOEGKM-UHFFFAOYSA-N
DG52520	7-[(2-chloro-6-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one	342450	MLS003171399; 7-[(2-chloro-6-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one; NSC379399; Oprea1_115041; CHEMBL1980421; ZINC140345; STK716556; AKOS005533468; MCULE-1057405449; NSC-379399; 314262-56-1; NCI60_003575; SMR001875298	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379399	.	.	.	.	318.7	C17H12ClFO3	35.5	453	4.4	22	0	4	3	"InChI=1S/C17H12ClFO3/c1-10-7-17(20)22-16-8-11(5-6-12(10)16)21-9-13-14(18)3-2-4-15(13)19/h2-8H,9H2,1H3"	CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F	SBUANIAUGARJCP-UHFFFAOYSA-N
DG52521	"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole"	342458	MLS003171401; NSC379407; ZINC1590780; NSC-379407; SMR001875299	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379407	.	.	.	.	389.2	C19H11Cl2FN2O2	52.1	481	5.5	26	0	5	3	"InChI=1S/C19H11Cl2FN2O2/c1-10-16(18(24-26-10)17-13(21)3-2-4-14(17)22)19-23-9-15(25-19)11-5-7-12(20)8-6-11/h2-9H,1H3"	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NC=C(O3)C4=CC=C(C=C4)Cl	HUDZYEDAJNLYFE-UHFFFAOYSA-N
DG52522	"1-(2,6-Dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea"	342499	"MLS000757144; NSC379468; 1-(2,6-Dichlorophenyl)-3-(6-methyl-3-pyridyl)urea; CHEMBL1372960; CHEBI:106077; ZINC13140245; NSC-379468; SMR000529017; Q27183878; 1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379468	.	.	.	.	296.15	C13H11Cl2N3O	54	306	3.1	19	2	2	2	"InChI=1S/C13H11Cl2N3O/c1-8-5-6-9(7-16-8)17-13(19)18-12-10(14)3-2-4-11(12)15/h2-7H,1H3,(H2,17,18,19)"	CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl	UGOAVFCPVAZKHK-UHFFFAOYSA-N
DG52523	"5-(4-tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide"	342553	"NSC379546; NSC-379546; NCIStruc1_000266; NCIStruc2_001676; CHEMBL1330057; ZINC1590858; CCG-38315; NCGC00014880; NCI379546; NCGC00014880-02; NCGC00097981-01; 5-(4-tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide; NCI60_003580"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379546	.	.	.	.	502	C26H23ClF3N3S	56	642	8.3	34	0	6	6	"InChI=1S/C26H23ClF3N3S/c1-25(2,3)19-11-9-18(10-12-19)23-31-32-24(34-16-17-7-13-21(27)14-8-17)33(23)22-6-4-5-20(15-22)26(28,29)30/h4-15H,16H2,1-3H3"	CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC=C(C=C4)Cl	SJVYQRBAHIOAHW-UHFFFAOYSA-N
DG52524	"2-(furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one"	342597	MLS000757159; NSC379651; Oprea1_716009; CHEMBL1521330; CHEMBL4296823; HMS2886H04; ZINC13597767; MCULE-3697437379; NSC-379651; SMR000529020	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379651	.	.	.	.	277.28	C16H11N3O2	57.8	544	2	21	1	4	2	"InChI=1S/C16H11N3O2/c20-16-10-12(11-5-2-1-3-6-11)17-15-9-13(18-19(15)16)14-7-4-8-21-14/h1-10,18H"	C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=CO4	UZMJKUTVUYXUED-UHFFFAOYSA-N
DG52525	N2-(6-nitro-2-oxo-2H-chromen-3-yl)thiophene-2-carboxamide	342620	NSC379867; N2-(6-nitro-2-oxo-2H-chromen-3-yl)thiophene-2-carboxamide; MLS000723432; CHEMBL1383192; HMS2663F14; ZINC253509; MCULE-4264596493; NSC-379867; NCI60_003589; SMR000305027; SR-01000418812; SR-01000418812-1; N-(6-nitro-2-oxo-chromen-3-yl)thiophene-2-carboxamide; N-(6-(Hydroxy(oxido)amino)-2-oxo-2H-chromen-3-yl)-2-thiophenecarboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379867	.	.	.	.	316.29	C14H8N2O5S	130	530	2.8	22	1	6	2	"InChI=1S/C14H8N2O5S/c17-13(12-2-1-5-22-12)15-10-7-8-6-9(16(19)20)3-4-11(8)21-14(10)18/h1-7H,(H,15,17)"	C1=CSC(=C1)C(=O)NC2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O	GRMVEFCMZGNFGF-UHFFFAOYSA-N
DG52526	"N-(2,6-dibromo-4-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide"	342632	"MLS000757161; NSC379880; CHEMBL1456086; CHEBI:105738; ZINC1590927; NSC-379880; SMR000529022; Q27183503; N-(2,6-dibromo-4-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	379880	.	.	.	.	519	C18H12Br2Cl2N2O2	55.1	494	6.3	26	1	3	3	"InChI=1S/C18H12Br2Cl2N2O2/c1-8-6-10(19)16(11(20)7-8)23-18(25)14-9(2)26-24-17(14)15-12(21)4-3-5-13(15)22/h3-7H,1-2H3,(H,23,25)"	CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br	UEQJYROUYRYTFG-UHFFFAOYSA-N
DG52527	"1,2-Dithiolo(3,4-b)pyridin-3-one"	342690	"65282-42-0; UNII-LHU96QSJ2E; NSC380271; LHU96QSJ2E; 1,2-Dithiolo(3,4-b)pyridin-3-one; 1,2-Dithiolo[3,4-b]pyridin-3-one; dithiolo[3,4-b]pyridin-3-one; NSC 380271; CHEMBL64397; DTXSID50215622; ZINC1590994; NSC-380271; 3H-1,2-Dithiolo[3,4-b]pyridin-3-one; NCI60_003593; 3H-1,2-Dithiolo[3,4-b]pyridine-3-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380271	.	.	.	.	169.2	C6H3NOS2	80.6	162	1.2	10	0	4	0	InChI=1S/C6H3NOS2/c8-6-4-2-1-3-7-5(4)9-10-6/h1-3H	C1=CC2=C(N=C1)SSC2=O	ZFEQZSUEICITLV-UHFFFAOYSA-N
DG52528	"Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)"	342837	"NSC380725; CHEMBL2003854; ZINC1591127; NSC-380725; NCI60_003603; Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380725	.	.	.	.	444.3	C18H19Cl2N3O4S	107	573	3.2	28	2	5	7	"InChI=1S/C18H19Cl2N3O4S/c1-21-17(24)26-8-11-12(9-27-18(25)22-2)16-23(5-6-28-16)15(11)10-3-4-13(19)14(20)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,24)(H,22,25)"	CNC(=O)OCC1=C(N2CCSC2=C1COC(=O)NC)C3=CC(=C(C=C3)Cl)Cl	QKQIGVVOCMNRQP-UHFFFAOYSA-N
DG52529	2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one	342897	65772-21-6; NSC380803; CHEMBL1965693; DTXSID80321760; ZINC1591188; NSC-380803; NCI60_003606; 2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380803	.	.	.	.	272.68	C14H9ClN2O2	52.9	391	2.7	19	1	3	1	"InChI=1S/C14H9ClN2O2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17(13)19/h1-8,19H"	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)O	YWWGILQCNLWFDH-UHFFFAOYSA-N
DG52530	3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one	342898	NSC380804; CHEMBL2002296; ZINC1591189; NSC-380804; NCI60_003607	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380804	.	.	.	.	283.24	C14H9N3O4	98.7	473	1.9	21	1	5	1	"InChI=1S/C14H9N3O4/c18-14-11-6-1-2-7-12(11)15-13(16(14)19)9-4-3-5-10(8-9)17(20)21/h1-8,19H"	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])O	RAZQHGQZUWOGQY-UHFFFAOYSA-N
DG52531	"Acronycine, 2-nitro"	342903	"NSC380856; 7095-42-3; 2-Nitroacronycine; 2-Nitro-acronycine; ACRONYCINE, 2-NITRO; CHEMBL2000803; DTXSID00321762; ZINC5487987; NSC-380856; NCI60_003609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	380856	.	.	.	.	366.4	C20H18N2O5	84.6	670	3.2	27	0	6	1	"InChI=1S/C20H18N2O5/c1-20(2)16(22(24)25)9-12-14(27-20)10-15(26-4)17-18(12)21(3)13-8-6-5-7-11(13)19(17)23/h5-10H,1-4H3"	CC1(C(=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)[N+](=O)[O-])C	FFUMIZNHKKJWAI-UHFFFAOYSA-N
DG52532	"N'-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine"	343042	NSC381793; CHEMBL1965585; ZINC1591378; NSC-381793; NCI60_003618	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381793	.	.	.	.	309.2	C14H14Cl2N4	48.1	304	4.5	20	4	4	4	"InChI=1S/C14H14Cl2N4/c15-10-6-5-9(7-11(10)16)17-8-18-14-19-12-3-1-2-4-13(12)20-14/h1-7,14,17-20H,8H2"	C1=CC=C2C(=C1)NC(N2)NCNC3=CC(=C(C=C3)Cl)Cl	MHVZONNBPRTHPD-UHFFFAOYSA-N
DG52533	"2-(3,5-Di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione"	343052	"NSC381804; CHEMBL1987139; NSC-381804; NCI60_003620; 2-(3,5-di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381804	.	.	.	.	347.1	C14H12Cl2O6	78.9	658	2	22	0	6	4	"InChI=1S/C14H12Cl2O6/c1-6(2)21-14(12(16)11(15)13(19)22-14)7-4-9(18)10(20-3)5-8(7)17/h4-6H,1-3H3"	CC(C)OC1(C(=C(C(=O)O1)Cl)Cl)C2=CC(=O)C(=CC2=O)OC	KHMSDJNYLCWUQD-UHFFFAOYSA-N
DG52534	"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine"	343057	NSC381810; CHEMBL1964915; NSC-381810; NCI60_003621	.	.	Investigative Drug(s)	Investigative	Small molecular drug	381810	.	.	.	.	611.4	C24H20F4N5O4P3	126	944	6.9	40	2	13	8	"InChI=1S/C24H20F4N5O4P3/c25-17-1-9-21(10-2-17)34-38(29)31-39(30,35-22-11-3-18(26)4-12-22)33-40(32-38,36-23-13-5-19(27)6-14-23)37-24-15-7-20(28)8-16-24/h1-16H,29-30H2"	C1=CC(=CC=C1OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)(N)OC5=CC=C(C=C5)F)N)F	BBPAEUOMBQPCPL-UHFFFAOYSA-N
DG52535	Maxima isoflavone D	343081	"Maxima isoflavone D; Maximaisoflavone D; NSC382028; 94413-08-8; 7-(3,4-Dimethoxyphenyl)-6H-(1,3)dioxolo(4,5-h)chromen-6-one; 7,8-Methylenedioxy-3',4'-dimethoxyisoflavone; 7-(3,4-Dimethoxyphenyl)-6H-[1,3]dioxolo[4,5-h]chromen-6-one; NSC 382028; 7-(3,4-dimethoxyphenyl)-[1,3]dioxolo[4,5-h]chromen-6-one; CHEMBL1967131; DTXSID00241476; LMPK12050144; NSC-382028; NCI60_003638; DS-009163"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382028	.	.	.	.	326.3	C18H14O6	63.2	518	2.9	24	0	6	3	"InChI=1S/C18H14O6/c1-20-13-5-3-10(7-15(13)21-2)12-8-22-17-11(16(12)19)4-6-14-18(17)24-9-23-14/h3-8H,9H2,1-2H3"	COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4)OC	BURSEYYMJTXRQK-UHFFFAOYSA-N
DG52536	"2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-"	343093	"NSC382046; UNII-ZWX6M6AF6L; ZWX6M6AF6L; 289636-44-8; 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-; 2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro-4-(phenylmethyl)phenyl]-; NSC 382046; CHEMBL2003838; DTXSID50183170; ZINC1591456; 6-Ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-2,4-pyrimidinediamine; NSC-382046; NCI60_003646; 5-(4-benzyl-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382046	.	.	.	.	349.4	C19H19N5O2	124	465	3.8	26	2	6	4	"InChI=1S/C19H19N5O2/c1-2-15-17(18(20)23-19(21)22-15)14-9-8-13(16(11-14)24(25)26)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H4,20,21,22,23)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-]	AGEVNTXDTUYAHG-UHFFFAOYSA-N
DG52537	"2, 5-(3-Azido-4-chlorophenyl)-6-ethyl-, monoethanesulfonate"	343097	"MLS002701720; SMR001565317; CHEMBL1717611; NSC382050; NSC-382050; 2, 5-(3-azido-4-chlorophenyl)- 6-ethyl-, monoethanesulfonate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382050	.	.	.	.	399.9	C14H18ClN7O3S	155	478	.	26	3	9	4	"InChI=1S/C12H12ClN7.C2H6O3S/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16;1-2-6(3,4)5/h3-5H,2H2,1H3,(H4,14,15,17,18);2H2,1H3,(H,3,4,5)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-].CCS(=O)(=O)O	BZCOWENGBZUNOI-UHFFFAOYSA-N
DG52538	"5-(3-Azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	343098	"NSC319947; MLS002701810; CHEMBL299045; SMR001565317; cid_343097; cid_343098; BDBM94892; 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; ZINC13762607; NSC-319947; NCI60_002759; NCI60_003648; SMR001565404; 2, 5-(3-azido-4-chlorophenyl)-6-ethyl-; 5-(3-Azido-4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine; 2,4-Diamino-5-(3-amino-4-chloro-5-azidophenyl)-6-ethylpyrimidine; [2-amino-5-(3-azido-4-chloro-phenyl)-6-ethyl-pyrimidin-4-yl]amine;esylic acid; 5-(3-azido-4-chloranyl-phenyl)-6-ethyl-pyrimidine-2,4-diamine;ethanesulfonic acid; 5-(3-azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;ethanesulfonic acid"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	319947	.	.	.	.	289.72	C12H12ClN7	92.2	373	3.4	20	2	6	3	"InChI=1S/C12H12ClN7/c1-2-8-10(11(14)18-12(15)17-8)6-3-4-7(13)9(5-6)19-20-16/h3-5H,2H2,1H3,(H4,14,15,17,18)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-]	CTABHCUZJBWUKN-UHFFFAOYSA-N
DG52539	"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine"	343101	NSC382053; CHEMBL1986608; ZINC13212483; NSC-382053; NCI60_003649	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382053	.	.	.	.	359.4	C20H21N7	109	469	3	27	2	6	5	"InChI=1S/C20H21N7/c1-2-15-18(19(21)24-20(22)23-15)14-8-9-17-16(12-14)25-26-27(17)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H4,21,22,23,24)"	CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(N=N3)CCC4=CC=CC=C4	QZJSMKNWPAJWQB-UHFFFAOYSA-N
DG52540	Gallicodazole	343115	Gallicodazole; NSC382103; ZINC5479504; NSC-382103	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382103	.	.	.	.	281.26	C12H15N3O5	94.7	343	1.3	20	2	6	5	"InChI=1S/C12H15N3O5/c1-17-7-5-6-8(10(19-3)9(7)18-2)14-11(13-6)15-12(16)20-4/h5H,1-4H3,(H2,13,14,15,16)"	COC1=C(C(=C2C(=C1)NC(=N2)NC(=O)OC)OC)OC	XFMZIDADRVOJKW-UHFFFAOYSA-N
DG52541	"2, 3,3'-(1,6-Hexanediyl)bis[5,5-diphenyl-"	343242	"NSC382386; CHEMBL1974905; ZINC5663901; NSC-382386; NCI60_003654; 2, 3,3'-(1,6-hexanediyl)bis[5,5- diphenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382386	.	.	.	.	586.7	C36H34N4O4	98.8	919	5.8	44	2	4	11	"InChI=1S/C36H34N4O4/c41-31-35(27-17-7-3-8-18-27,28-19-9-4-10-20-28)37-33(43)39(31)25-15-1-2-16-26-40-32(42)36(38-34(40)44,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2,(H,37,43)(H,38,44)"	C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCCCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6	XMIQQJAGAZZTDB-UHFFFAOYSA-N
DG52542	3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol	343248	NSC382584; CHEMBL2003814; ZINC18068862; ZINC104246968; NSC-382584; NCI60_003656	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382584	.	.	.	.	299.31	C14H9N3O3S	119	415	4.5	21	1	6	2	"InChI=1S/C14H9N3O3S/c18-14-13(9-5-1-4-8-12(9)21-14)16-15-10-6-2-3-7-11(10)17(19)20/h1-8,18H"	C1=CC=C2C(=C1)C(=C(S2)O)N=NC3=CC=CC=C3[N+](=O)[O-]	UZHMOWFAEQLCLL-UHFFFAOYSA-N
DG52543	"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone"	343249	"90140-50-4; NSC382585; CHEMBL1972761; DTXSID60321869; ZINC1591627; NSC-382585; 1-[1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone; NCI60_003657"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382585	.	.	.	.	424.5	C24H28N2O5	69.6	706	3.9	31	0	6	6	"InChI=1S/C24H28N2O5/c1-8-17-14(2)26(15(3)27)25-24(16-9-10-20(28-4)21(11-16)29-5)19-13-23(31-7)22(30-6)12-18(17)19/h9-13H,8H2,1-7H3"	CCC1=C(N(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)C(=O)C)C	CLJPSMAKAGRZBN-UHFFFAOYSA-N
DG52544	"4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-"	343412	"NSC382837; MLS003171469; CHEMBL2131159; SCHEMBL21247489; NSC-382837; SMR001875356; 4,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-; {4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione,} 11-methyl-4-phenyl-; 4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382837	.	.	.	.	282.29	C16H14N2O3	57.7	550	0.6	21	0	4	1	"InChI=1S/C16H14N2O3/c1-17-10-7-8-11(19)14(17)13-12(10)15(20)18(16(13)21)9-5-3-2-4-6-9/h2-8,10,12-14H,1H3"	CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)C4=CC=CC=C4	RWCGNTKHOIIGNF-UHFFFAOYSA-N
DG52545	"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol"	343521	NSC382988; CHEMBL1985798; NSC-382988; NCI60_003669	.	.	Investigative Drug(s)	Investigative	Small molecular drug	382988	.	.	.	.	327.4	C19H21NO4	51.2	451	3.3	24	1	5	2	"InChI=1S/C19H21NO4/c1-19(21)10-15(12-4-6-13(7-5-12)20(2)3)14-8-17-18(23-11-22-17)9-16(14)24-19/h4-9,15,21H,10-11H2,1-3H3"	CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)N(C)C)O	PIASYSCTSBHKAT-UHFFFAOYSA-N
DG52546	(+)-8-epi-Altholactone	343590	"(+)-8-epi-Altholactone; NSC383482; NSC633430; B826538K051; NSC633427; NSC633428; 124868-11-7; CHEMBL1968763; CHEBI:181599; 3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one; 9570AF; MCULE-8647739828; NSC-383482; NSC-633430; NCGC00385442-01; NCI60_003677; 3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-furo[3,2-b]pyran-5-one; 3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrouro[3,2-b]pyran-5-one; NCGC00385442-01_C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	383482	.	.	.	.	232.23	C13H12O4	55.8	332	0.9	17	1	4	1	"InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H"	C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O	ZKIRVBNLJKGIEM-UHFFFAOYSA-N
DG52547	4-[Bromo-(4-hydroxy-3-nitrophenyl)arsanyl]-2-nitrophenol	343613	7464-66-6; NSC400008; 4-[bromo-(4-hydroxy-3-nitrophenyl)arsanyl]-2-nitrophenol; CHEMBL1975445; ANTINEOPLASTIC-400008; DTXSID00321909; NSC-400008; NCI60_003725	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400008	.	.	.	.	431.03	C12H8AsBrN2O6	132	393	.	22	2	6	2	"InChI=1S/C12H8AsBrN2O6/c14-13(7-1-3-11(17)9(5-7)15(19)20)8-2-4-12(18)10(6-8)16(21)22/h1-6,17-18H"	C1=CC(=C(C=C1[As](C2=CC(=C(C=C2)O)[N+](=O)[O-])Br)[N+](=O)[O-])O	OMJNTTGUVBGBLD-UHFFFAOYSA-N
DG52548	"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	343668	"NSC400085; 83842-17-5; DTXSID50321959; ZINC5479593; NSC-400085; DS-005017; 4(1H)-Quinolone,6,7,8-tetrahydro-2-phenyl-; 1,4,5,6,7,8-Hexahydro-2-phenylquinoline-4-one; 4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400085	.	.	.	.	225.28	C15H15NO	29.1	386	3	17	1	2	1	"InChI=1S/C15H15NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-3,6-7,10H,4-5,8-9H2,(H,16,17)"	C1CCC2=C(C1)C(=O)C=C(N2)C3=CC=CC=C3	JQAQWCPQGMLSGO-UHFFFAOYSA-N
DG52549	"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol"	343914	"6,7-dimethyl-5,8-dihydronaphthalene-1,4-diol; 7475-96-9; NSC400529; CHEMBL1994100; SCHEMBL14283953; DTXSID30322126; ZINC18211153; NSC-400529; NCI60_003744; DS-015667"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400529	.	.	.	.	190.24	C12H14O2	40.5	231	2.1	14	2	2	0	"InChI=1S/C12H14O2/c1-7-5-9-10(6-8(7)2)12(14)4-3-11(9)13/h3-4,13-14H,5-6H2,1-2H3"	CC1=C(CC2=C(C=CC(=C2C1)O)O)C	JVVDSVZRKMEJCJ-UHFFFAOYSA-N
DG52550	"Phenazine, 2-chloro-, 5,10-dioxide"	343972	"303-79-7; NSC400607; 2-Chlorophenazine 5,10-dioxide; DTXSID60322174; ZINC5699014; NSC-400607; Phenazine, 2-chloro-, 5,10-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400607	.	.	.	.	246.65	C12H7ClN2O2	46.4	326	1.9	17	0	3	0	InChI=1S/C12H7ClN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h1-7H	C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-]	NFCIQNJPHBEHLU-UHFFFAOYSA-N
DG52551	[4-(4-Hydroxyphenyl)phenyl]-phenylmethanone	344075	"MLS000757167; 5623-46-1; NSC400770; [4-(4-hydroxyphenyl)phenyl]-phenylmethanone; 4-hydroxy-4'-benzoylbiphenyl; SCHEMBL2214895; CHEMBL1341020; 4-(4-Hydroxyphenyl)benzophenone; DTXSID20322251; CHEBI:114504; ZINC1593556; NSC-400770; SMR000529026; (4'-hydroxy[1,1'-biphenyl]-4-yl)phenylmethanone; Q27195907"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400770	.	.	.	.	274.3	C19H14O2	37.3	330	4.7	21	1	2	3	"InChI=1S/C19H14O2/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,20H"	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O	IURCXIQRULDEEY-UHFFFAOYSA-N
DG52552	4-(Oxiran-2-yl)-2-phenylquinoline	344157	NSC400905; CHEMBL2002122; NSC-400905; NCI60_003748	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400905	.	.	.	.	247.29	C17H13NO	25.4	312	3.3	19	0	2	2	"InChI=1S/C17H13NO/c1-2-6-12(7-3-1)16-10-14(17-11-19-17)13-8-4-5-9-15(13)18-16/h1-10,17H,11H2"	C1C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4	QYPDECDZRHCTEF-UHFFFAOYSA-N
DG52553	"5,6-Quinolinedione"	344174	"5,6-Quinolinedione; quinoline-5,6-dione; 7467-33-6; NSC400944; NSC 400944; quinoline-5,6-quinone; NCIMech_000147; SCHEMBL421295; CHEMBL1984075; DTXSID70225647; ZINC1717563; CCG-35346; NSC-400944; NCI60_003749; DS-005618"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400944	.	.	.	.	159.14	C9H5NO2	47	257	0.5	12	0	3	0	InChI=1S/C9H5NO2/c11-8-4-3-7-6(9(8)12)2-1-5-10-7/h1-5H	C1=CC2=C(C=CC(=O)C2=O)N=C1	YLSMOFSAPNMDOC-UHFFFAOYSA-N
DG52554	Illudin M	344199	"Illudin M; Illudine M; 1146-04-9; UNII-0ASO6A4L61; (-)-Illudin M; NSC400978; DR-15977; 0ASO6A4L61; CHEBI:5866; (-)-1alpha,7beta-dihydroxy-2,9-illudadien-8-one; CCRIS 3539; NSC 400978; NSC 626370; BRN 2286081; NCIMech_000581; SCHEMBL232710; CHEMBL501342; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-; Spiro[cyclopropane-1, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-; ZINC4098277; CCG-35652; LMPR0103590001; NSC-400978; NCI60_003750; HY-122493; CS-0085822; C09687; Q27106919; (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one; (3'S,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one; Spiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3'-beta,6'-alpha-dihydroxy-2',24',6'-tetramethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400978	.	.	.	.	248.32	C15H20O3	57.5	520	0.8	18	2	3	0	"InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1"	CC1=C2[C@H](C(C=C2C(=O)[C@](C13CC3)(C)O)(C)C)O	QVMDIQLUNODCTG-OCCSQVGLSA-N
DG52555	Illudin S	344200	"Illudin S; 1149-99-1; Lampterol; UNII-EWJ0GY2H7X; (-)-Illudin S; EWJ0GY2H7X; DR-15978; CHEBI:5867; NSC400979; (-)-1alpha,7beta,12-trihydroxy-2,9-illudadien-8-one; Lunamycin; Illudine S; CCRIS 3540; NSC 400979; NSC 626369; BRN 2336420; CHEMBL509170; SCHEMBL1743370; EX-A5056; ZINC1618541; LMPR0103590002; NSC-400979; NCI60_003751; HY-125098; CS-0089316; C09688; J-003167; Q27106920; 2',3'-Dihydro-2',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one; Spiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2'S-(2'alpha,3'beta,6'alpha))- (9CI); Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-; Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, [2'S-(2'.alpha.,3'.beta.,6'.alpha.)]-; Sprio(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2'S,3'R,6'R)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400979	.	.	.	.	264.32	C15H20O4	77.8	540	0.1	19	3	4	1	"InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1"	CC1=C2[C@H]([C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO)O	DDLLIYKVDWPHJI-RDBSUJKOSA-N
DG52556	2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol	344209	NSC400995; CHEMBL2001543; NSC-400995; NCI60_003752	.	.	Investigative Drug(s)	Investigative	Small molecular drug	400995	.	.	.	.	275.4	C18H29NO	23.5	250	4	20	1	2	6	"InChI=1S/C18H29NO/c1-3-19(4-2)14-18(20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-9,16-18,20H,3-4,10-14H2,1-2H3"	CCN(CC)CC(C1CCC(CC1)C2=CC=CC=C2)O	KCPQCTKXSFRSEY-UHFFFAOYSA-N
DG52557	"14-Methyl-3,12-dioxahexacyclo[16.3.1.04,21.05,10.011,20.015,19]docosa-5(10),7-diene-2,6,9-trione"	344218	"NSC401005; CHEMBL1976986; DTXSID30930780; NSC-401005; NCI60_003753; 10-Methyl-6a,7,7a,8,9,9a,9b,9c,9d,10,11,12a-dodecahydrobenzo[6,7][1]benzofuro[3,4,5-ijk]cyclopenta[ef][2]benzoxepine-1,4,6(4bH)-trione; 2H-5,3',2':4,10]anthra[9,1-bc]oxepin-2,9,12-trione, 2a,3,4,4a,5,6,7,8a,12b,12c-decahydro-6-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401005	.	.	.	.	354.4	C21H22O5	69.7	807	1.8	26	0	5	0	"InChI=1S/C21H22O5/c1-8-7-25-19-16-12(22)4-5-13(23)17(16)20-15-11(21(24)26-20)6-9-2-3-10(8)14(9)18(15)19/h4-5,8-11,14-15,18-20H,2-3,6-7H2,1H3"	CC1COC2C3C4C1CCC4CC5C3C(C6=C2C(=O)C=CC6=O)OC5=O	SBDBJWBHRZQCQD-UHFFFAOYSA-N
DG52558	"Phenaleno[1,9-fg]quinoline"	344235	"Phenaleno[1,9-fg]quinoline; 189-89-9; Pyreno[2,1-b]pyridine; NSC401030; CHEMBL1991210; DTXSID90322344; ZINC1593777; NSC-401030; NCI60_003754; DS-012150"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401030	.	.	.	.	253.3	C19H11N	12.9	378	5.4	20	0	1	0	InChI=1S/C19H11N/c1-3-12-6-7-14-11-17-15(5-2-10-20-17)16-9-8-13(4-1)18(12)19(14)16/h1-11H	C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=N5)C=C2	VYJCOVWIXYZRQK-UHFFFAOYSA-N
DG52559	N-[2-oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide	344245	MLS003171492; 7475-18-5; NSC401044; CHEMBL1984870; DTXSID60322351; ZINC1593784; NSC-401044; NCI60_003756; SMR001875377	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401044	.	.	.	.	319.4	C15H17N3O3S	95.7	435	2.6	22	3	5	7	"InChI=1S/C15H17N3O3S/c19-15(18-17-14-9-5-2-6-10-14)11-16-22(20,21)12-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2,(H,18,19)"	C1=CC=C(C=C1)CS(=O)(=O)NCC(=O)NNC2=CC=CC=C2	DXCUNBGVJKJJGW-UHFFFAOYSA-N
DG52560	"2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid"	344265	"32675-71-1; NSC401077; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid; 2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; MLS000757170; CHEMBL383475; NSC-401077; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; SMR000413613; DNA Methyltransferase Inhibitor; NSC 401077; (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; MFCD08705332; Oprea1_410805; Oprea1_475901; (Rac)-RG108; MLS000777218; MLS006011919; SCHEMBL562060; 2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoic acid; HMS1762H13; HMS2752N14; HMS3426M03; BDBM50180790; MFCD00379702; STK724063; AKOS001035895; AKOS016340696; ES-0018; MCULE-9446134990; SB19339; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid; NCI60_003759; DS-003198; CS-0137819; EU-0040737; SR-01000456137; SR-01000456137-1; Z56804250; 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401077	.	.	.	.	334.3	C19H14N2O4	90.5	554	2.6	25	2	4	4	"InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)"	C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O	HPTXLHAHLXOAKV-UHFFFAOYSA-N
DG52561	"3,7-Dimethylnaphthalene-1,2-dione"	344295	"7475-01-6; 3,7-dimethylnaphthalene-1,2-dione; NSC401130; CHEMBL1968964; SCHEMBL10604748; DTXSID90322384; 3,7-dimethyl-[1,2]naphthoquinone; ZINC1593856; NSC-401130; NCI60_003761"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401130	.	.	.	.	186.21	C12H10O2	34.1	314	2.2	14	0	2	0	"InChI=1S/C12H10O2/c1-7-3-4-9-6-8(2)11(13)12(14)10(9)5-7/h3-6H,1-2H3"	CC1=CC2=C(C=C1)C=C(C(=O)C2=O)C	SJOKRUOFICLCJY-UHFFFAOYSA-N
DG52562	4-Phenyliminonaphthalen-1-one	344314	"7512-49-4; 4-phenyliminonaphthalen-1-one; NSC401166; (4E)-4-(phenylimino)naphthalen-1(4H)-one; CHEMBL1969471; SCHEMBL10949681; DTXSID60322396; 1,4-naphthoquinone-4-phenylimine; N-Phenyl-1,4-naphthoquinone imine; ZINC17749510; ZINC104250318; NSC-401166; NCI60_003762; DS-015380"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401166	.	.	.	.	233.26	C16H11NO	29.4	377	3.9	18	0	2	1	InChI=1S/C16H11NO/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h1-11H	C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23	QLVZBXFOEUEIOZ-UHFFFAOYSA-N
DG52563	4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol	344348	NSC401210; CHEMBL1991894; SCHEMBL14580918; ZINC5699396; NSC-401210	.	.	Investigative Drug(s)	Investigative	Small molecular drug	401210	.	.	.	.	326.4	C23H18O2	40.5	404	5.1	25	2	2	3	"InChI=1S/C23H18O2/c24-22-16-15-21(19-13-7-8-14-20(19)22)23(25,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,24-25H"	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C4=CC=CC=C43)O)O	IUMOCCIEKFOXCO-UHFFFAOYSA-N
DG52564	"5-(Phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione"	344925	"MLS000757173; NSC-402083; 3144-55-6; SMR000529029; NSC402083; 5-(Phenyldiazenyl)tropolone; 5-(phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione; CHEMBL1546228; SCHEMBL10616379; BDBM55044; cid_5385255; DTXSID20419655; HMS2862A14; ZINC18166466; ZINC104251602; 5-(phenylhydrazono)cyclohepta-3,6-diene-1,2-quinone; (E)-2-hydroxy-5-(phenyldiazenyl)cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-[(E)-phenyldiazenyl]-2,4,6-cycloheptatrien-1-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402083	.	.	.	.	226.23	C13H10N2O2	62	413	3.2	17	1	4	2	"InChI=1S/C13H10N2O2/c16-12-8-6-11(7-9-13(12)17)15-14-10-4-2-1-3-5-10/h1-9H,(H,16,17)"	C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O	LWPCHBVDMXCYNP-UHFFFAOYSA-N
DG52565	"3,8-Dibenzyl-2,4,7,9-tetrahydro-[1,3]oxazino[5,6-h][1,3]benzoxazine"	344936	"NSC402109; ZINC1594599; NSC-402109; 2H,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,4,7,8-tetrahydro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402109	.	.	.	.	372.5	C24H24N2O2	24.9	445	4.3	28	0	4	4	"InChI=1S/C24H24N2O2/c1-3-7-19(8-4-1)13-25-15-21-11-12-22-16-26(14-20-9-5-2-6-10-20)18-28-24(22)23(21)27-17-25/h1-12H,13-18H2"	C1C2=C(C3=C(CN(CO3)CC4=CC=CC=C4)C=C2)OCN1CC5=CC=CC=C5	AOZNAIBBITZLIO-UHFFFAOYSA-N
DG52566	"2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one"	345009	"51114-70-6; 2,2-dibromo-3,4-dihydronaphthalen-1-one; 2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one; NSC402209; SCHEMBL4324609; DTXSID80322873; ZINC5700587; MFCD30530491; NSC-402209; 1(2H)-Naphthalenone,2-dibromo-3,4-dihydro-; F31370"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402209	.	.	.	.	303.98	C10H8Br2O	17.1	225	3.6	13	0	1	0	"InChI=1S/C10H8Br2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-4H,5-6H2"	C1CC(C(=O)C2=CC=CC=C21)(Br)Br	XJUWICWPKZOCJP-UHFFFAOYSA-N
DG52567	"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol"	345174	MLS000757176; 32919-00-9; NSC402590; CHEMBL1429241; DTXSID70421021; ZINC18153861; ZINC102533699; NSC-402590; SMR000529030	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402590	.	.	.	.	293.12	C12H9BrN2O2	65.2	267	3.7	17	2	4	2	"InChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)14-15-11-6-5-10(16)7-12(11)17/h1-7,16-17H"	C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)Br	JXDXGMHMDHIKCO-UHFFFAOYSA-N
DG52568	"N-(3,5-dibenzhydryl-2-methylphenyl)acetamide"	345248	NSC402717; ZINC5700907; NSC-402717	.	.	Investigative Drug(s)	Investigative	Small molecular drug	402717	.	.	.	.	481.6	C35H31NO	29.1	643	8.2	37	1	1	7	"InChI=1S/C35H31NO/c1-25-32(35(29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-31(24-33(25)36-26(2)37)34(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h3-24,34-35H,1-2H3,(H,36,37)"	CC1=C(C=C(C=C1NC(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5	UCUKAMKBWQGRMY-UHFFFAOYSA-N
DG52569	Deoxypodophyllotoxin	345501	"Deoxypodophyllotoxin; 19186-35-7; Anthricin; (-)-Deoxypodophyllotoxin; Desoxypodophyllotoxin; Silicicolin; Hernandin; Hernandion; 4-Deoxypodophyllotoxin; (-)-Anthricin; NSC403148; CHEBI:4429; (-)-Desoxypodophyllotoxin; Isodeoxypodophyllotoxin; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-; C22H22O7; UNII-45NR8XYU1L; 45NR8XYU1L; MLS002702900; Anthriscin; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; CHEMBL63970; SCHEMBL987840; Podophyllotoxin, 7CI, 8CI); DTXSID701019944; EX-A2905; HY-N2500; ZINC1575139; AKOS032948828; NSC-403148; AC-34638; NCI60_003794; CS-0022771; W1846; J-501619; Q27106380; (10R,11R,15R)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7,011,15]hexadeca-1(9),2,7-trien-12-one; (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one; (5R,5aR,8aR)-5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5a)-one; 100348-38-7; 5,8,8a,9,-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one; Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403148	.	.	.	.	398.4	C22H22O7	72.4	598	3.1	29	0	7	4	"InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1"	COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O	ZGLXUQQMLLIKAN-SVIJTADQSA-N
DG52570	Acronine	345512	"Acronine; ACRONYCINE; 7008-42-6; Compound 42339; Acromycine; NCI-C01536; NSC 403169; CHEBI:2437; UNII-QE0G097358; 6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one; NSC403169; MLS003171532; 3,12-Dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one; 6-Methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one; 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; NSC-403169; QE0G097358; Acronina; Acroninum; Acronine [USAN:INN]; Acroninum [INN-Latin]; Acronina [INN-Spanish]; CCRIS 6; 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; 3,3,12-trimethyl-6-(methyloxy)-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; 7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-methoxy-3,3,12-trimethyl-; HSDB 7073; BRN 0312954; Acronine (TN); Acronine (USAN/INN); SCHEMBL11499; 4-27-00-03622 (Beilstein Handbook Reference); CHEMBL285852; DTXSID0020026; ZINC4098812; BDBM50480253; NCI60_003795; SMR001875415; D02378; 3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; 3,6,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one; Q15633955; 6-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one; 7H-Pyrano[2, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-; 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl; 3,12-dihydro-6-methoxy-3,3,12-trimethyl-7h -pyrano-[2,3-c]acridine-7-one; 3,12-Dihydro-6-methoxy-6,6,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403169	.	.	.	.	321.4	C20H19NO3	38.8	543	3.7	24	0	4	1	"InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3"	CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C	SMPZPKRDRQOOHT-UHFFFAOYSA-N
DG52571	3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole	345521	"7501-91-9; STK521919; 3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole; NSC403186; CHEMBL1995195; SCHEMBL21399724; DTXSID10323151; ZINC4953317; AKOS000358287; MCULE-5918776316; NSC-403186; NCI60_003796; 3,3'-(4-Nitrobenzylidene)di(1H-indole); 3,3'-((4-nitrophenyl)methylene)bis(1h-indole); [4-[bis(1H-indol-3-yl)methyl]phenyl]azinic acid; 3,3'-[(4-nitrophenyl)methanediyl]bis(1H-indole)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403186	.	.	.	.	367.4	C23H17N3O2	77.4	525	5.4	28	2	2	3	"InChI=1S/C23H17N3O2/c27-26(28)16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-25H"	C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54	OESZGFYDUDJFLN-UHFFFAOYSA-N
DG52572	((4-Isothiocyanatophenyl)thio)acetic acid	345648	NSC403376; 7501-98-6; NSC-403376; ((4-isothiocyanatophenyl)thio)acetic acid; NCIStruc1_000676; NCIStruc2_001061; CHEMBL1447527; DTXSID70323218; ZINC1595622; CCG-37811; NCGC00014897; NCI403376; NCGC00014897-02; NCGC00097998-01; NCI60_003800	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403376	.	.	.	.	225.3	C9H7NO2S2	107	243	3.4	14	1	5	4	"InChI=1S/C9H7NO2S2/c11-9(12)5-14-8-3-1-7(2-4-8)10-6-13/h1-4H,5H2,(H,11,12)"	C1=CC(=CC=C1N=C=S)SCC(=O)O	HLGOGEXQKKWISO-UHFFFAOYSA-N
DG52573	"2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide"	345720	"7404-33-3; NSC403468; 4-Methylmannonic phenylhydrazide; CHEMBL1982342; 2,3,5,6-tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide; DTXSID50323271; NSC-403468; NCI60_003802"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403468	.	.	.	.	300.31	C13H20N2O6	131	311	-0.7	21	6	7	8	"InChI=1S/C13H20N2O6/c1-21-12(9(17)7-16)10(18)11(19)13(20)15-14-8-5-3-2-4-6-8/h2-6,9-12,14,16-19H,7H2,1H3,(H,15,20)"	COC(C(CO)O)C(C(C(=O)NNC1=CC=CC=C1)O)O	HYXALBNMTPMXOQ-UHFFFAOYSA-N
DG52574	"Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-"	345759	"MLS003171544; SMR001875427; Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-; NSC403529; cid_345759; CHEMBL2144833; BDBM97357; ZINC1595954; (6-methyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanone; NSC-403529; Benzophenone,4,5-trimethoxy-2'-methyl-4',5'-methylenedioxy-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403529	.	.	.	.	330.3	C18H18O6	63.2	427	3.4	24	0	6	5	"InChI=1S/C18H18O6/c1-10-5-13-14(24-9-23-13)8-12(10)17(19)11-6-15(20-2)18(22-4)16(7-11)21-3/h5-8H,9H2,1-4H3"	CC1=CC2=C(C=C1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCO2	BEUWRYNNEKNVFK-UHFFFAOYSA-N
DG52575	p-Bromophenacyl benzoate	345792	"p-Bromophenacyl benzoate; 2-(4-Bromophenyl)-2-oxoethyl benzoate; Ethanone, 2-(benzoyloxy)-1-(4-bromophenyl)-; 7506-12-9; CBDivE_001702; MLS000561005; Benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester; CHEMBL1556166; DTXSID30323315; HMS2499C24; ZINC270580; NSC403572; STK386188; AKOS000674601; MCULE-9163146782; NSC-403572; NCI60_003805; SMR000173773; 2-(4-Bromophenyl)-2-oxoethyl benzoate #; Acetophenone, 4'-bromo-2-hydroxy-, benzoate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403572	.	.	.	.	319.15	C15H11BrO3	43.4	315	3.9	19	0	3	5	"InChI=1S/C15H11BrO3/c16-13-8-6-11(7-9-13)14(17)10-19-15(18)12-4-2-1-3-5-12/h1-9H,10H2"	C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br	VTEGMTYLKZOVGZ-UHFFFAOYSA-N
DG52576	1-Bis(4-chlorophenoxy)phosphorylaziridine	345885	NSC403801; CHEMBL2006672; ZINC1596095; NSC-403801; NCI60_003811	.	.	Investigative Drug(s)	Investigative	Small molecular drug	403801	.	.	.	.	344.1	C14H12Cl2NO3P	38.5	364	3.1	21	0	4	5	"InChI=1S/C14H12Cl2NO3P/c15-11-1-5-13(6-2-11)19-21(18,17-9-10-17)20-14-7-3-12(16)4-8-14/h1-8H,9-10H2"	C1CN1P(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl	FKWDRQKKGHCZMJ-UHFFFAOYSA-N
DG52577	"1,2-Dinitroso-1,2-dihydroacenaphthylene"	346024	NSC404027; CHEMBL1990728; NSC-404027; NCI60_003820	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404027	.	.	.	.	212.2	C12H8N2O2	58.9	279	1.6	16	0	4	0	"InChI=1S/C12H8N2O2/c15-13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14-16/h1-6,11-12H"	C1=CC2=C3C(=C1)C(C(C3=CC=C2)N=O)N=O	ICUHCVVMFQFUSC-UHFFFAOYSA-N
DG52578	"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate"	346130	NSC404186; CHEMBL1994060; NSC-404186; NCI60_003822	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404186	.	.	.	.	273.37	C17H23NO2	52.3	406	4.6	20	1	3	3	"InChI=1S/C17H23NO2/c1-16(2)11-8-9-17(3,10-11)15(16)20-14(19)12-6-4-5-7-13(12)18/h4-7,11,15H,8-10,18H2,1-3H3"	CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3N)C)C	WSROWZALSNALOL-UHFFFAOYSA-N
DG52579	"6-Nitrotetrazolo[1,5-a]pyridine"	346452	"6-nitrotetrazolo[1,5-a]pyridine; 35235-73-5; NSC404687; CHEMBL1995231; SCHEMBL18023780; DTXSID30323693; ZINC1597526; NSC-404687; 6-nitro-[1,2,3,4]tetrazolo[1,5-a]pyridine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404687	.	.	.	.	165.11	C5H3N5O2	88.9	193	-0.3	12	0	5	0	InChI=1S/C5H3N5O2/c11-10(12)4-1-2-5-6-7-8-9(5)3-4/h1-3H	C1=CC2=NN=NN2C=C1[N+](=O)[O-]	FVSDBFPXGMEACC-UHFFFAOYSA-N
DG52580	[Ethynylenebis(o-phenylene)]bis(boronic acid)	346619	NSC404895; CHEMBL1989154; ZINC195514714; NSC-404895; NCI60_003828; [Ethynylenebis(o-phenylene)]bis(boronic acid)	.	.	Investigative Drug(s)	Investigative	Small molecular drug	404895	.	.	.	.	265.9	C14H12B2O4	80.9	342	.	20	4	4	4	"InChI=1S/C14H12B2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8,17-20H"	B(C1=CC=CC=C1C#CC2=CC=CC=C2B(O)O)(O)O	DSKIOYIXIRNDJS-UHFFFAOYSA-N
DG52581	"3,4-dichloro-N'-phenylbenzohydrazide"	346727	MLS002701724; 7497-13-4; NSC405029; CHEMBL1894220; DTXSID90323871; ZINC1597748; AKOS017051989; NSC-405029; NCI60_003829; SMR001565321	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405029	.	.	.	.	281.13	C13H10Cl2N2O	41.1	282	5.1	18	2	2	3	"InChI=1S/C13H10Cl2N2O/c14-11-7-6-9(8-12(11)15)13(18)17-16-10-4-2-1-3-5-10/h1-8,16H,(H,17,18)"	C1=CC=C(C=C1)NNC(=O)C2=CC(=C(C=C2)Cl)Cl	HXBPZFZVFVWUMI-UHFFFAOYSA-N
DG52582	"2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile"	346832	"NSC405158; 958-11-2; NCIMech_000505; CHEMBL1988095; DTXSID30323911; CCG-35705; NSC-405158; NCI60_003830; 2,.alpha.-acetonitrile, .alpha.-(p-chlorophenyl)-4-oxo-, oxime"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405158	.	.	.	.	256.68	C14H9ClN2O	56.4	467	3.1	18	1	3	1	"InChI=1S/C14H9ClN2O/c15-12-5-1-10(2-6-12)14(9-16)11-3-7-13(17-18)8-4-11/h1-8,18H"	C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl	CPQMRDWKXUVWAP-UHFFFAOYSA-N
DG52583	"(4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile"	346833	"888-39-1; 2-(4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile; STK664680; (4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile; [4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene](phenyl)acetonitrile; NSC405159; Cyto4C10; Maybridge1_004212; SCHEMBL7680723; HMS553H12; DTXSID90323912; ZINC4335597; 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile; CCG-55699; AKOS001028723; AKOS003238389; MCULE-1117028723; MCULE-6002624054; NSC-405159; CS-0316985; SR-01000644713-1; 2,.alpha.-acetonitrile, 4-oxo-.alpha.-phenyl-, oxime; (2E)-[(4E)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)ethanenitrile; (2Z)-[(4Z)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405159	.	.	.	.	222.24	C14H10N2O	56.4	436	2.5	17	1	3	1	"InChI=1S/C14H10N2O/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16-17)9-7-12/h1-9,17H"	C1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N	CEQPEKHLBZNDQM-UHFFFAOYSA-N
DG52584	"2-(4-Hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile"	346838	"3122-39-2; 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile; NSC405166; Cyto9E5; Maybridge1_007447; MLS000861804; SCHEMBL7705863; CHEMBL1367860; CHEMBL4557673; HMS562K11; DTXSID70323915; HMS2803M10; ZINC4377509; CCG-256483; MCULE-8748965328; NSC-405166; SMR000460588; (4-Hydroxyimino-cyclohexa-2,5-dienylidene)-(4-methoxyphenyl)-acetonitrile; 2-[4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405166	.	.	.	.	252.27	C15H12N2O2	65.6	480	2.4	19	1	4	2	"InChI=1S/C15H12N2O2/c1-19-14-8-4-12(5-9-14)15(10-16)11-2-6-13(17-18)7-3-11/h2-9,18H,1H3"	COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N	CDNLWJKHJRCMDV-UHFFFAOYSA-N
DG52585	"3-Benzyl-1,3-dihydroindol-2-one"	347328	"3-benzyl-1,3-dihydroindol-2-one; 7511-08-2; 3-Benzylindolin-2-one; 1,3-Dihydro-3-(phenylmethyl)-2H-indol-2-one; NSC405962; 3-Benzylindoline-2-one; Maybridge3_002827; MLS000858738; SCHEMBL7825637; CHEMBL1370026; DTXSID20324174; HMS1439A11; HMS2792M12; AS-0338; MCULE-7173032139; NSC-405962; SB65569; 3-benzyl-1,3-dihydro-2H-indol-2-one; 3-benzyl-2,3-dihydro-1H-indol-2-one; IDI1_014214; NCI60_003844; SMR000458817; 3-Phenylmethyl-1,3-dihydro-2H-indol-2-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	405962	.	.	.	.	223.27	C15H13NO	29.1	283	2.8	17	1	1	2	"InChI=1S/C15H13NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-9,13H,10H2,(H,16,17)"	C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O	SJEHQYIHAFTLMS-UHFFFAOYSA-N
DG52586	Allocolchicine	347381	"Allocolchicine; CHEMBL52480; MLS002702901; Allocolchicin; Alkaloid K-3; SCHEMBL13840934; 5H-Dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (S)-; BDBM50409016; NSC406042; NSC-406042; NCI60_003850; SMR001566718; Dibenzo[b,d]cycloheptamine, N-acetyl-1,2,3-trimethoxy-9-carbmethoxy-; Methyl 5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-3-carboxylate #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406042	.	.	.	.	399.4	C22H25NO6	83.1	584	2.9	29	1	6	6	"InChI=1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)"	CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC	NMKUAEKKJQYLHK-UHFFFAOYSA-N
DG52587	"N,O-Diacetyljervine"	347578	"N,O-Diacetyljervine; NSC406352; (4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl) acetate; 7622-06-2; NSC-406352; CHEMBL1978258; DTXSID20997569; NCI60_003854; 28-Acetyl-11-oxo-17,23-epoxyveratraman-3-yl acetate; Veratraman-11-one,23-epoxy-, (3.beta.,23.beta.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406352	.	.	.	.	509.7	C31H43NO5	72.9	1110	3.4	37	0	5	2	"InChI=1S/C31H43NO5/c1-16-13-25-28(32(15-16)19(4)33)18(3)31(37-25)12-10-23-24-8-7-21-14-22(36-20(5)34)9-11-30(21,6)27(24)29(35)26(23)17(31)2/h7,16,18,22-25,27-28H,8-15H2,1-6H3"	CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C	AETQSOZEKYWGIJ-UHFFFAOYSA-N
DG52588	N'-phenylbenzenesulfonohydrazide	347804	"N'-phenylbenzenesulfonohydrazide; 6596-69-6; NSC406666; SCHEMBL7123611; CHEMBL1976823; DTXSID30984440; ZINC1599350; N-phenyl-N'-benzenesulfonylhydrazine; 1-Phenyl-2-(phenylsulfonyl)hydrazine; Benzenesulfonic acid, 2-phenylhydrazide; NSC-406666; NCI60_003861"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	406666	.	.	.	.	248.3	C12H12N2O2S	66.6	312	2.8	17	2	4	4	"InChI=1S/C12H12N2O2S/c15-17(16,12-9-5-2-6-10-12)14-13-11-7-3-1-4-8-11/h1-10,13-14H"	C1=CC=C(C=C1)NNS(=O)(=O)C2=CC=CC=C2	NLEOEXCPIKOHJB-UHFFFAOYSA-N
DG52589	"3,3-Bis-(4-hydroxy-phenyl)-3h-benzo{de}isochromen-1-one"	348092	"5627-39-4; 3,3-bis-(4-hydroxy-phenyl)-3h-benzo{de}isochromen-1-one; CHEMBL67836; 3,3-Bis-(4-hydroxy-phenyl)-3H-benzo[de]isochromen-1-one; 3,3-Bis(4-hydroxyphenyl)benzo[de]isochromen-1(3H)-one; 1H,3H-Naphtho[1,8-cd]pyran-1-one, 3,3-bis(4-hydroxyphenyl)-; 4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one; NSC407135; Phenol-1,8-naphthalein; DTXSID70324588; ZINC5742707; BDBM50077848; AKOS024257943; NSC-407135; 3,3-bis-(4-hydroxyphenyl)-3h-benzo{de}isochromen-1-one; 3,3-Bis(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one; 3,3-BIS-(4-HYDROXY-PHENYL)-3H-BENZO{DEISOCHROMEN-1-ONE"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407135	.	.	.	.	368.4	C24H16O4	66.8	551	5.1	28	2	4	2	"InChI=1S/C24H16O4/c25-18-11-7-16(8-12-18)24(17-9-13-19(26)14-10-17)21-6-2-4-15-3-1-5-20(22(15)21)23(27)28-24/h1-14,25-26H"	C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O	JCXWFZRDEFLLDH-UHFFFAOYSA-N
DG52590	4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde	348143	NSC407260; 7509-16-2; CHEMBL1973566; SCHEMBL18079065; DTXSID10324623; ZINC5479739; NSC-407260; NCI60_003867	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407260	.	.	.	.	249.26	C16H11NO2	46.2	407	2.9	19	1	3	2	"InChI=1S/C16H11NO2/c18-10-13-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(14)16(13)19/h1-10H,(H,17,19)"	C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C=O	ZQEGAPPIYYSYCW-UHFFFAOYSA-N
DG52591	"[5-(5-Fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate"	348175	"NSC407335; Neuro_000222; CHEMBL1992368; SCHEMBL13026818; NSC-407335; NCI60_003883; [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407335	.	.	.	.	288.23	C11H13FN2O6	105	480	-1.1	20	2	7	4	"InChI=1S/C11H13FN2O6/c1-5(16)19-7-2-9(20-8(7)4-15)14-3-6(12)10(17)13-11(14)18/h3,7-9,15H,2,4H2,1H3,(H,13,17,18)"	CC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F	PRIOYEZNDKYFSU-UHFFFAOYSA-N
DG52592	"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone"	348345	"NSC407613; 4b,10b,11,12-Tetrahydro-6(5H)-chrysenone; 7496-05-1; 5,10b,11,12-tetrahydro-4bH-chrysen-6-one; CHEMBL1993947; DTXSID50964163; NSC 407613; NSC-407613; NCI60_003888; 4b,10b,11,12-Tetrahydrochrysen-6(5H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407613	.	.	.	.	248.3	C18H16O	17.1	361	3.8	19	0	1	0	"InChI=1S/C18H16O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-8,15,17H,9-11H2"	C1CC2=CC=CC=C2C3C1C4=CC=CC=C4C(=O)C3	IMCFKEKBLFADHG-UHFFFAOYSA-N
DG52593	Gitoxigenin	348482	"Gitoxigenin; 545-26-6; 16beta-Hydroxydigitoxigenin; UNII-G36K2H8SME; G36K2H8SME; 3beta,14,16beta-Trihydroxy-5beta-card-20(22)-enolide; 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; CHEBI:38105; NSC407807; NSC 407807; SR-05000002231; 16.beta.-Hydroxydigitoxigenin; 16.beta.-Hydroxydisitoxigenin; 16beta-Hydroxydisitoxigenin; 16-beta-Hydroxydigitoxigenin; NSC-407807; EINECS 208-886-2; BRN 0096483; 3-beta,14,16-Trioxycarden-(20:22)-olid; 3-beta,14,16-Trioxy-digen-(20:22)-olid; 5-18-04-00385 (Beilstein Handbook Reference); SCHEMBL644087; 3-beta,14,16-Trioxy-digen-(20:22)-olid [German]; 3-beta,14,16-Trioxycarden-(20:22)-olid [German]; CARDOGENEN-(20:22)-TRIOL-(3-beta,14,16); CHEMBL464658; MEGxp0_001900; Cardogenen-(20:22)-triol-(3-beta,14,16) [German]; DTXSID20878642; BDBM225705; CS334; delta(20,22)-2,14,16,21-tetrahydroxynorcholenic acid lactone; ZINC3978407; 3-beta,14,16-beta-Trihydroxy-5-beta,14-beta-card-20(22)-enolide; LMST01120003; AKOS030490030; Card-20(22)-enolide, 3,14,16-trihydroxy-, (3-beta,5-beta,16-beta)-; CCG-208473; MCULE-7353523388; NCI60_003893; Q1527718; SR-05000002231-2; SR-05000002231-3; 5.beta.-Card-20(22)-enolide,14,16.beta.-trihydroxy-; .delta.(20,14,16,21-(Tetrahydroxy)norcholenic acid lactone; .delta.20,14,16,21-(Tetrahydroxy)norcholenic acid lactone; 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-; 5beta-Card-20(22)-enolide, 3beta,14,16beta-trihydroxy- (8CI); Card-20(22)-enolide,14,16-trihydroxy-, (3.beta.,5.beta.,16.beta.)-; Card-20(22)-enolide, 3,14,16-trihydroxy-, (3beta,5beta,16beta)- (9CI)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407807	.	.	.	.	390.5	C23H34O5	87	718	1.6	28	3	5	1	"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1"	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O	PVAMXWLZJKTXFW-VQMOFDJESA-N
DG52594	"Card-20(22)-enolide, (3beta,5alpha)-"	348483	"Uzarin; NSC407809; SCHEMBL702464; NSC-407809; NCI60_003895; Card-20(22)-enolide, (3.beta.,5.alpha.)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407809	.	.	.	.	698.8	C35H54O14	225	1260	-0.5	49	8	14	7	"InChI=1S/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3"	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O	COIUWGNHAYDCDZ-UHFFFAOYSA-N
DG52595	2-[(Dimethylcarbamothioyl)sulfanyl]acetamide	348488	NSC407820; 816-75-1; CHEMBL2005611; DTXSID10324840; ZINC1600099; NSC 407820; NSC-407820; NCI60_003899; 2-[(DIMETHYLCARBAMOTHIOYL)SULFANYL]ACETAMIDE	.	.	Investigative Drug(s)	Investigative	Small molecular drug	407820	.	.	.	.	178.3	C5H10N2OS2	104	147	0.2	10	1	3	3	"InChI=1S/C5H10N2OS2/c1-7(2)5(9)10-3-4(6)8/h3H2,1-2H3,(H2,6,8)"	CN(C)C(=S)SCC(=O)N	YVDBHZMPCSXUHG-UHFFFAOYSA-N
DG52596	Ethyl 3-(4-nitrophenyl)prop-2-ynoate	348719	35283-08-0; ethyl 3-(4-nitrophenyl)prop-2-ynoate; ethyl 3-(4-nitrophenyl)propiolate; (4-NITRO-PHENYL)-PROPYNOIC ACID ETHYL ESTER; ethyl 3-(4-nitrophenyl)-2-propynoate; ethyl 3-{4-nitrophenyl}-2-propynoate; NSC408181; Athyl-p-nitrophenylpropiolat; Oprea1_490083; SCHEMBL6136558; CHEMBL1986121; DTXSID00325008; ethyl 3-(4-nitrophenyl)propynoate; ZINC4128019; MCULE-7043158669; NSC-408181; (4-Nitrophenyl)propynoic acid ethyl ester; NCI60_003910; AE-562/12222817	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408181	.	.	.	.	219.19	C11H9NO4	72.1	325	2.6	16	0	4	3	"InChI=1S/C11H9NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7H,2H2,1H3"	CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]	VOFGHYIUFUAZQO-UHFFFAOYSA-N
DG52597	"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one"	348728	NSC408191; 17033-68-0; CHEMBL1974984; DTXSID30325016; NSC-408191; NCI60_003911	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408191	.	.	.	.	557.5	C32H19N3O7	155	883	.	42	0	7	0	"InChI=1S/C19H14.C13H5N3O7/c1-13-6-7-15-9-11-16-10-8-14-4-2-3-5-17(14)19(16)18(15)12-13;17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h2-12H,1H3;1-5H"	CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]	BNNCLPZSQRXCMZ-UHFFFAOYSA-N
DG52598	"N-[7-(2,5-dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide"	348883	NSC408383; CHEMBL1977215; ZINC1600551; NSC-408383; NCI60_003915	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408383	.	.	.	.	372.3	C19H11F3N2O3	66.5	672	3	27	1	6	2	"InChI=1S/C19H11F3N2O3/c20-19(21,22)18(27)23-12-1-3-14-10(8-12)7-11-9-13(2-4-15(11)14)24-16(25)5-6-17(24)26/h1-6,8-9H,7H2,(H,23,27)"	C1C2=C(C=CC(=C2)NC(=O)C(F)(F)F)C3=C1C=C(C=C3)N4C(=O)C=CC4=O	SELHQQIYNGYUCH-UHFFFAOYSA-N
DG52599	2-Formamido-9-fluorenone	349152	NSC408726; CHEMBL1998839; SCHEMBL14418355; 2-FORMAMIDO-9-FLUORENONE; ZINC393704; AKOS024332260; MCULE-8976834922; NSC-408726; NCI60_003925	.	.	Investigative Drug(s)	Investigative	Small molecular drug	408726	.	.	.	.	223.23	C14H9NO2	46.2	328	2.8	17	1	2	1	"InChI=1S/C14H9NO2/c16-8-15-9-5-6-11-10-3-1-2-4-12(10)14(17)13(11)7-9/h1-8H,(H,15,16)"	C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC=O	VERIQMZSHJWSCP-UHFFFAOYSA-N
DG52600	8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile	349513	NSC409304; CHEMBL1972571; ZINC5541058; NSC-409304	.	.	Investigative Drug(s)	Investigative	Small molecular drug	409304	.	.	.	.	267.24	C14H9N3O3	79.4	446	1	20	0	5	1	"InChI=1S/C14H9N3O3/c1-20-10-3-5-12-14(7-10)17(19)13-6-9(8-15)2-4-11(13)16(12)18/h2-7H,1H3"	COC1=CC2=C(C=C1)[N+](=O)C3=C(N2[O-])C=C(C=C3)C#N	LSKCHGRSCQXJHA-UHFFFAOYSA-N
DG52601	"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole"	351151	NSC519153; ZINC1604740; NSC-519153	.	.	Investigative Drug(s)	Investigative	Small molecular drug	519153	.	.	.	.	323.4	C12H9N3O2S3	153	381	4.8	20	0	7	2	"InChI=1S/C12H9N3O2S3/c1-6-7(2)18-11(13-6)20-12-14-9-4-3-8(15(16)17)5-10(9)19-12/h3-5H,1-2H3"	CC1=C(SC(=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C	YRFSZCNINKEDKL-UHFFFAOYSA-N
DG52602	"N-(3,4-dichlorophenyl)glycine"	351250	"N-(3,4-dichlorophenyl)glycine; 65051-17-4; 2-(3,4-dichloroanilino)acetic acid; 2-((3,4-Dichlorophenyl)amino)acetic acid; (3,4-Dichloroanilino)-acetic acid; NSC520114; SCHEMBL733998; 3,4-dichloroanilinoacetic acid; CHEMBL2001087; 3,4-DICHLOROPHENYLGLYCINE; DTXSID60325847; Glycine,n-(3,4-dichlorophenyl)-; ZINC1604852; Glycine, N-(3,4-dichlorophenyl)-; MFCD02255628; STK347168; AKOS000101828; MCULE-8875316618; NSC-520114; (3,4-Dichloro-phenylamino)-acetic acid; NCI60_004262; DS-011144"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	520114	.	.	.	.	220.05	C8H7Cl2NO2	49.3	189	3	13	2	3	3	"InChI=1S/C8H7Cl2NO2/c9-6-2-1-5(3-7(6)10)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)"	C1=CC(=C(C=C1NCC(=O)O)Cl)Cl	BBWWOXQXCLAUKG-UHFFFAOYSA-N
DG52603	3-hydroxy-2-phenylquinazolin-4(3H)-one	351739	"5319-72-2; 3-hydroxy-2-phenylquinazolin-4(3H)-one; 3-hydroxy-2-phenylquinazolin-4-one; 3-hydroxy-2-phenyl-3,4-dihydroquinazolin-4-one; NSC522958; Maybridge1_000926; Oprea1_591419; MLS001143363; CHEMBL1986914; HMS544C02; DTXSID20326037; HMS2785C03; ZINC152707; MFCD00052256; STK222963; AKOS002664641; MCULE-4076104436; NSC-522958; 3-hydroxy-2-phenyl-4(3H)-quinazolinone; NCI60_004272; SMR000473198; 2-Phenyl-3-hydroxyquinazoline-4(3H)-one; 4(3H)-Quinazolinone, 3-hydroxy-2-phenyl-; FT-0615810"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	522958	.	.	.	.	238.24	C14H10N2O2	52.9	361	2	18	1	3	1	"InChI=1S/C14H10N2O2/c17-14-11-8-4-5-9-12(11)15-13(16(14)18)10-6-2-1-3-7-10/h1-9,18H"	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O	MIMZZMIFKADVDD-UHFFFAOYSA-N
DG52604	"1,4-Bis(chloromethyl)-2-nitrobenzene"	352121	"1,4-bis(chloromethyl)-2-nitrobenzene; 16255-50-8; NSC525118; SCHEMBL6017659; CHEMBL1971610; DTXSID20326173; ALBB-026253; ZINC1605844; MFCD13704382; AKOS015998470; NSC-525118; LS-08916; NCI60_004281; Benzene, 1,4-bis(chloromethyl)-2-nitro-; DS-009987; BENZENE,1,4-BIS(CHLOROMETHYL)-2-NITRO-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	525118	.	.	.	.	220.05	C8H7Cl2NO2	45.8	184	2.5	13	0	2	2	"InChI=1S/C8H7Cl2NO2/c9-4-6-1-2-7(5-10)8(3-6)11(12)13/h1-3H,4-5H2"	C1=CC(=C(C=C1CCl)[N+](=O)[O-])CCl	AJBJABQEANMSMG-UHFFFAOYSA-N
DG52605	3-(Hydroxy(oxido)amino)-4-(2-((hydroxy(oxido)amino)oxy)ethoxy)phenylarsonic acid	352200	"UNII-7759NTA9H8; 7759NTA9H8; NSC31815; NSC 31815; 7150-89-2; 3-(Hydroxy(oxido)amino)-4-(2-((hydroxy(oxido)amino)oxy)ethoxy)phenylarsonic acid; [3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid; CHEMBL2008108; ANTINEOPLASTIC-525326; DTXSID90221727; NSC525326; NSC-525326; NCI60_002731; (4-(2-(Nitrooxy)ethoxy)-3-nitrophenyl)arsonic acid; Arsonic acid, (4-(2-(nitrooxy)ethoxy)-3-nitrophenyl)-,; 746540-24-9"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	31815	.	.	.	.	352.09	C8H9AsN2O9	168	400	.	20	2	9	5	"InChI=1S/C8H9AsN2O9/c12-9(13,14)6-1-2-8(7(5-6)10(15)16)19-3-4-20-11(17)18/h1-2,5H,3-4H2,(H2,12,13,14)"	C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-]	DKOFTRQOUMOWGK-UHFFFAOYSA-N
DG52606	"[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate"	352429	"MLS003389355; SMR002049010; 735-48-8; 2,5-Cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-oxo-.alpha.-phenyl-, O-acetyloxime; NSC526333; cid_352429; CHEMBL1881880; BDBM93531; DTXSID60326293; ZINC5664388; [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate; NSC-526333; 2,.alpha.)-acetonitrile, 4-oxo-.alpha.-phenyl-, O-acetyloxime; [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] ethanoate; acetic acid [[4-[cyano(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester; acetic acid [[4-[cyano(phenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526333	.	.	.	.	264.28	C16H12N2O2	62.4	534	2.6	20	0	4	3	"InChI=1S/C16H12N2O2/c1-12(19)20-18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10H,1H3"	CC(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)C=C1	LCPOATCJCJOUDL-UHFFFAOYSA-N
DG52607	2'-Fluor-uridine	352500	NSC-678515; 2'-Fluor-uridine; 1-(2-Deoxy-2-fluoro-b-D-arabinofuranosyl)uracil; CHEMBL26330; SCHEMBL2105489; NSC526645; NSC678515; AKOS015963394; AB07616; AB08547; AC-1670; MCULE-3215023061; NSC-526645; NCI60_028123; SY037156; DB-020994; FT-0632954; FT-0770446; 1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)uracil; 2 inverted exclamation mark -Deoxy-2 inverted exclamation mark -fluorouridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	526645	.	.	.	.	246.19	C9H11FN2O5	99.1	374	-1	17	3	6	2	"InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)"	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F	UIYWFOZZIZEEKJ-UHFFFAOYSA-N
DG52608	"1-Chloro-2,4-bis(thiocyanatomethyl)benzene"	352645	"93262-83-0; NSC527310; DTXSID80326371; ZINC1606890; NSC-527310; 1-chloro-2,4-bis(thiocyanatomethyl)benzene; DS-002796; (4-Chloro-1,3-phenylene)bis(methylene) bis(thiocyanate)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	527310	.	.	.	.	254.8	C10H7ClN2S2	98.2	290	3.5	15	0	4	4	"InChI=1S/C10H7ClN2S2/c11-10-2-1-8(4-14-6-12)3-9(10)5-15-7-13/h1-3H,4-5H2"	C1=CC(=C(C=C1CSC#N)CSC#N)Cl	XLWJHNAFCNUFOP-UHFFFAOYSA-N
DG52609	Arafluorocytosine	352938	"MLS003373858; Arafluorocytosine; Ara-FC; Fluorocytosine arabinoside; CHEMBL89342; SCHEMBL21423108; NSC529180; NSC-529180; NCI60_004297; SMR002048650; .beta.-D-Arabinofuranosyl-5-fluorocytosine; FT-0620416; FT-0650496; 1-.beta.-D-Arabinofuranosyl-5-fluorocytosine; WLN: T6NVNJ DZ EF A- BT5OTJ CQ DQ E1Q; Cytosine, 1-.beta.-D-arabinofuranosyl-5-fluoro-; 2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl- 5-fluoro-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529180	.	.	.	.	261.209	C9H12FN3O5	129	426	-2.1	18	4	6	2	"InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)"	C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F	STRZQWQNZQMHQR-UHFFFAOYSA-N
DG52610	"N-[p-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid"	353016	"NSC529861; CHEMBL156358; 2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid; N-[p-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid; NSC-529861; NCI60_004302; 2-[4-(((2,4-Diamino-5-chloro-quinazolin-6-yl)methyl)amino); Aspartic acid,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-, L-; L-Aspartic acid,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	529861	.	.	.	.	458.9	C20H19ClN6O5	194	691	1.4	32	6	10	8	"InChI=1S/C20H19ClN6O5/c21-16-10(3-6-12-15(16)17(22)27-20(23)26-12)8-24-11-4-1-9(2-5-11)18(30)25-13(19(31)32)7-14(28)29/h1-6,13,24H,7-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)"	C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl	GWIBVUFMBFNYLT-UHFFFAOYSA-N
DG52611	NSC600018	353025	"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; NSC600018; CHEMBL2005328; NSC-600018; NCI60_004461; [[2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoyl]oxymethyl-tetraoxo-[ ]yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600018	.	.	.	.	620.6	C30H40N2O12	208	1270	-0.5	44	4	12	12	"InChI=1S/C30H40N2O12/c1-11(2)29(41,13(5)33)27(39)43-9-31-23(35)19-15-7-8-16(20(19)24(31)36)18-17(15)21-22(18)26(38)32(25(21)37)10-44-28(40)30(42,12(3)4)14(6)34/h7-8,11-22,33-34,41-42H,9-10H2,1-6H3"	CC(C)C(C(C)O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C(C)C)(C(C)O)O)O	HTLCSRQXNUPRBQ-UHFFFAOYSA-N
DG52612	"Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate"	353071	"NSC600166; CHEMBL1980774; ZINC1607490; NSC-600166; methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate; Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromene-6-carboxylate; NCI60_004472; Benzo[1,2-b3,4-b']dipyran-6-carboxylic acid der.; Benzo[1,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,10-hexahydro-5-hydroxy-2,2,8,8-tetramethyl-, methyl ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600166	.	.	.	.	320.4	C18H24O5	65	472	3.9	23	1	5	2	"InChI=1S/C18H24O5/c1-17(2)8-6-10-13(19)12(16(20)21-5)15-11(14(10)22-17)7-9-18(3,4)23-15/h19H,6-9H2,1-5H3"	CC1(CCC2=C(C(=C3C(=C2O1)CCC(O3)(C)C)C(=O)OC)O)C	YCMSOWZRNXKKKJ-UHFFFAOYSA-N
DG52613	"Pyridine, 2-(2-oxohydrazino)-5-phenyl-"	353073	"NSC600167; Pyridine, 2-(2-oxohydrazino)-5-phenyl-; CHEMBL2009816; ZINC12951814; N-(5-phenyl-2-pyridyl)nitrous amide; NCI60_004473"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600167	.	.	.	.	199.21	C11H9N3O	54.4	204	2.5	15	1	4	2	"InChI=1S/C11H9N3O/c15-14-13-11-7-6-10(8-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13,15)"	C1=CC=C(C=C1)C2=CN=C(C=C2)NN=O	OBLZPTDQYCPOHJ-UHFFFAOYSA-N
DG52614	"6,7-Dihydroxy-4'-methylisoflavan"	353126	"6,7-Dihydroxy-4'-methylisoflavan; NSC600286; HIR-3; 116718-59-3; CHEMBL2003199; SCHEMBL10559567; DTXSID20326537; BDBM153379; NSC-600286; NCI60_004482; 3-(4-Methylphenyl)-3,4-dihydro-2H-1-benzopyran-6,7-diol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600286	.	.	.	.	256.3	C16H16O3	49.7	298	3.3	19	2	3	1	"InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3"	CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O	OKUSEYCLSBRHFB-UHFFFAOYSA-N
DG52615	"6,7-Diacetoxy-4'-methoxyisoflavan"	353127	"6,7-Diacetoxy-4'-methoxyisoflavan; NSC600287; CHEMBL1967574; SCHEMBL10561540; NSC-600287; NCI60_004483; 3-(4-Methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-6,7-diol diacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600287	.	.	.	.	356.4	C20H20O6	71.1	499	3.2	26	0	6	6	"InChI=1S/C20H20O6/c1-12(21)25-19-9-15-8-16(14-4-6-17(23-3)7-5-14)11-24-18(15)10-20(19)26-13(2)22/h4-7,9-10,16H,8,11H2,1-3H3"	CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=C(C=C3)OC)OC(=O)C	NQTGQJQEARMJCW-UHFFFAOYSA-N
DG52616	"6,7-Diacetoxy-4'-methylisoflavan"	353128	"6,7-Diacetoxy-4'-methylisoflavan; NSC600288; CHEMBL1995625; NSC-600288; NCI60_004484"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600288	.	.	.	.	340.4	C20H20O5	61.8	483	3.5	25	0	5	5	"InChI=1S/C20H20O5/c1-12-4-6-15(7-5-12)17-8-16-9-19(24-13(2)21)20(25-14(3)22)10-18(16)23-11-17/h4-7,9-10,17H,8,11H2,1-3H3"	CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C	INOCXFGIUNJNMC-UHFFFAOYSA-N
DG52617	"6,7-Diacetoxyisoflavan"	353129	"6,7-Diacetoxyisoflavan; NSC600289; CHEMBL1973688; SCHEMBL10561600; NSC-600289; NCI60_004485"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600289	.	.	.	.	326.3	C19H18O5	61.8	457	3.2	24	0	5	5	"InChI=1S/C19H18O5/c1-12(20)23-18-9-15-8-16(14-6-4-3-5-7-14)11-22-17(15)10-19(18)24-13(2)21/h3-7,9-10,16H,8,11H2,1-2H3"	CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=CC=C3)OC(=O)C	YUFASPAYFKAVGR-UHFFFAOYSA-N
DG52618	"4',6,7-Triacetoxyisoflavan"	353130	"NSC600290; 4',6,7-Triacetoxyisoflavan; 4',7-Triacetoxyisoflavan; CHEMBL1969810; SCHEMBL10563358; NSC-600290; NCI60_004486"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600290	.	.	.	.	384.4	C21H20O7	88.1	581	2.9	28	0	7	7	"InChI=1S/C21H20O7/c1-12(22)26-18-6-4-15(5-7-18)17-8-16-9-20(27-13(2)23)21(28-14(3)24)10-19(16)25-11-17/h4-7,9-10,17H,8,11H2,1-3H3"	CC(=O)OC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C	HPOLZHAMVHDITJ-UHFFFAOYSA-N
DG52619	"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan"	353131	"NSC600291; 3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan; CHEMBL1991741; SCHEMBL10565267; NSC-600291; NCI60_004487; 8-Methyl-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600291	.	.	.	.	300.3	C18H20O4	47.9	361	3.6	22	1	4	3	"InChI=1S/C18H20O4/c1-11-15(19)6-4-13-8-14(10-22-18(11)13)12-5-7-16(20-2)17(9-12)21-3/h4-7,9,14,19H,8,10H2,1-3H3"	CC1=C(C=CC2=C1OCC(C2)C3=CC(=C(C=C3)OC)OC)O	OFRBAEIYLSMBIS-UHFFFAOYSA-N
DG52620	Picodazole	353155	Picodazole; NSC600472; NSC639753; CHEMBL1981545; Methyl 5-(1H-pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; methyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; ZINC13219715; NSC-600472; NSC-639753; NCI60_004497; methyl 6-(1H-pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-ylcarbamate; methyl N-[5-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate; [6-(1H-Pyrrol-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600472	.	.	.	.	284.27	C14H12N4O3	99.9	417	2	21	3	4	4	"InChI=1S/C14H12N4O3/c1-21-14(20)18-13-16-9-5-4-8(7-11(9)17-13)12(19)10-3-2-6-15-10/h2-7,15H,1H3,(H2,16,17,18,20)"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CN3	PLBDUAFRLMLHTN-UHFFFAOYSA-N
DG52621	"3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione"	353156	"NSC600473; UNII-ASR676B8RM; ASR676B8RM; 3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione; 74734-08-0; NSC 600473; 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione; CHEMBL1995104; DTXSID80225719; ZINC13216788; NSC-600473; NCI60_004498; 2H-1,5-Thiadiazino[3,2-a]benzimidazol-2,4(3H)-dithione, 3-methyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600473	.	.	.	.	265.4	C10H7N3S3	111	346	3.2	16	0	4	0	"InChI=1S/C10H7N3S3/c1-12-9(14)13-7-5-3-2-4-6(7)11-8(13)16-10(12)15/h2-5H,1H3"	CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S	WHOZVZKPJLUZNU-UHFFFAOYSA-N
DG52622	"(6aR)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid"	353191	NSC600681; CHEMBL1998143; NSC-600681; NCI60_004501	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600681	.	.	.	.	694.8	C41H46N2O8	135	990	.	51	2	9	13	"InChI=1S/C21H28N2.C20H18O8/c1-4-5-6-10-23-14-16-12-20-18(11-15(2)13-22(20)3)17-8-7-9-19(23)21(16)17;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h7-9,11,14,18,20H,4-6,10,12-13H2,1-3H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t18 ,20-;/m1./s1"	CCCCCN1C=C2C[C@@H]3C(C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O	QYINIADJZVQSAQ-MLVYHOMMSA-N
DG52623	"11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide"	353192	"NSC600684; NSC-600684; CHEMBL1192118; GTPL11240; ZINC53045657; 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide; 2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide; NCI60_004502; 2-isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-8-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600684	.	.	.	.	469.6	C28H31N5O2	68.2	880	3.3	35	1	5	6	"InChI=1S/C28H31N5O2/c1-20(2)21-8-10-25-24(18-21)28(35)33-19-22(9-11-26(33)30-25)27(34)29-12-13-31-14-16-32(17-15-31)23-6-4-3-5-7-23/h3-11,18-20H,12-17H2,1-2H3,(H,29,34)"	CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5	XYYIYKRFSGVWQQ-UHFFFAOYSA-N
DG52624	9-[(5-Nitro-2-pyridyl)sulfanyl]acridine	353206	NSC600758; CHEMBL2006365; ZINC5594131; NSC-600758; 9-[(5-nitro-2-pyridyl)sulfanyl]acridine; NCI60_004504; 9-((5-(Hydroxy(oxido)amino)-2-pyridinyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600758	.	.	.	.	333.4	C18H11N3O2S	96.9	436	4.7	24	0	5	2	InChI=1S/C18H11N3O2S/c22-21(23)12-9-10-17(19-11-12)24-18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18/h1-11H	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=NC=C(C=C4)[N+](=O)[O-]	XEKOLQDJUMNOGB-UHFFFAOYSA-N
DG52625	"Pyridine, 5-(2-naphthalenylthio)-2-(2-oxohydrazino)-"	353208	"NSC600759; CHEMBL4299062; Pyridine, 5-(2-naphthalenylthio)-2-(2-oxohydrazino)-; ZINC12951834; NCI60_004505; N-[5-(2-naphthylsulfanyl)-2-pyridyl]nitrous amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600759	.	.	.	.	281.3	C15H11N3OS	79.6	328	4.2	20	1	5	3	"InChI=1S/C15H11N3OS/c19-18-17-15-8-7-14(10-16-15)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,16,17,19)"	C1=CC=C2C=C(C=CC2=C1)SC3=CN=C(C=C3)NN=O	RRYOGIKBIGWMJI-UHFFFAOYSA-N
DG52626	"8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one"	353213	"NSC600768; 8-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one; 8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one; 64376-00-7; CHEMBL394287; 2H-1,5-benzodiazepin-2-one, 1,3-dihydro-8-methyl-4-phenyl-; ChemDivAM_001114; ChemDiv1_023899; Oprea1_067338; Oprea1_610963; MLS000526790; HMS654O07; DTXSID10326541; 8-Methyl-4-phenyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one; HMS2157J21; HMS3353B18; BDBM50333014; ZINC100645589; MCULE-7163255314; NSC-600768; NCI60_004508; SMR000117264; SR-01000462175; SR-01000462175-1; 8-methyl-4-phenyl-1H-benzo[b][1,4]diazepin-2(3H)-one; 1,3-Dihydro-8-methyl-4-phenyl-2H-1,5-benzodiazepin-2-one; 2,3-Dihydro-8-methyl-4-phenyl-1H-1,5-benzodiazepin-2-one; 8-Methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one #"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600768	.	.	.	.	250.29	C16H14N2O	41.5	371	2.8	19	1	2	1	"InChI=1S/C16H14N2O/c1-11-7-8-13-15(9-11)18-16(19)10-14(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)"	CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3	SCWDIXHHIUWDED-UHFFFAOYSA-N
DG52627	NSC373965	353257	"[5-[(2-Amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate; NSC373965; GULF COMPOUND, PRODRUG; CHEMBL1983141; NSC-373965; L-Phenylalanine,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene)ester, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	373965	.	.	.	.	626.7	C34H34N4O8	179	1270	1.1	46	2	10	12	"InChI=1S/C34H34N4O8/c35-21(13-17-7-3-1-4-8-17)33(43)45-15-37-29(39)25-19-11-12-20(26(25)30(37)40)24-23(19)27-28(24)32(42)38(31(27)41)16-46-34(44)22(36)14-18-9-5-2-6-10-18/h1-12,19-28H,13-16,35-36H2"	C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N	SXBPNXYVYHMTCJ-UHFFFAOYSA-N
DG52628	"N,N-dimethyl-4-[(E)-1-phenylethylideneamino]aniline"	353259	"NSC600882; 91118-69-3; CHEMBL1980479; DTXSID70326547; ZINC16952062; ZINC104264902; NSC-600882; NCI60_004510; N,N-dimethyl-4-[(E)-1-phenylethylideneamino]aniline; N~1~,N~1~-Dimethyl-N~4~-(1-phenylethylidene)-1,4-benzenediamine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	600882	.	.	.	.	238.33	C16H18N2	15.6	269	3.6	18	0	2	3	"InChI=1S/C16H18N2/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18(2)3/h4-12H,1-3H3"	CC(=NC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2	JQTKLRWZPMSEKW-UHFFFAOYSA-N
DG52629	"methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate"	353373	"NSC601347; CHEMBL2001142; ZINC5549906; methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; NSC-601347; Carbamic acid, (1,2,3,4-tetrahydro-4-oxo-2-quinazolinylidene)bis-, dimethyl ester; NCI60_004519; dimethyl-4-oxo-1,3,4-tetrahydroquinazoline 2,2-diyl-dicarbamate; N,N'-[(4-Oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601347	.	.	.	.	294.26	C12H14N4O5	118	423	1.7	21	4	6	4	"InChI=1S/C12H14N4O5/c1-20-10(18)15-12(16-11(19)21-2)13-8-6-4-3-5-7(8)9(17)14-12/h3-6,13H,1-2H3,(H,14,17)(H,15,18)(H,16,19)"	COC(=O)NC1(NC2=CC=CC=C2C(=O)N1)NC(=O)OC	LNTDJAMHPDSXLY-UHFFFAOYSA-N
DG52630	(+)-Isoalantolactone;Isohelenin	353376	"(+)-Isoalantolactone;Isohelenin; NSC601353; CHEMBL2000732; NSC-601353; NCI60_004522; (8aR)-8a-methyl-3,5-dimethylenedecahydronaphtho[2,3-b]furan-2(3H)-one"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601353	.	.	.	.	232.32	C15H20O2	26.3	409	3.4	17	0	2	0	"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11 ,12 ,13 ,15-/m1/s1"	C[C@]12CCCC(=C)C1CC3C(C2)OC(=O)C3=C	CVUANYCQTOGILD-CDKPOMLUSA-N
DG52631	N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide	353380	NSC601359; MLS000757219; N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide; NSC-601359; SMR000529047; cid_353380; CHEMBL1306524; SCHEMBL15537171; BDBM54384; N-(4-bromonaphthalen-1-yl)-1-hydroxynaphthalene-2-carboxamide; ZINC1607786; NCI60_004523; N-(4-bromo-1-naphthyl)-1-hydroxy-naphthalene-2-carboxamide; N-(4-bromo-1-naphthalenyl)-1-hydroxy-2-naphthalenecarboxamide; N-(4-bromanylnaphthalen-1-yl)-1-oxidanyl-naphthalene-2-carboxamide	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601359	.	.	.	.	392.2	C21H14BrNO2	49.3	485	6.1	25	2	2	2	"InChI=1S/C21H14BrNO2/c22-18-11-12-19(16-8-4-3-7-15(16)18)23-21(25)17-10-9-13-5-1-2-6-14(13)20(17)24/h1-12,24H,(H,23,25)"	C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C4=CC=CC=C43)Br	FXYXGRSAQZGIOS-UHFFFAOYSA-N
DG52632	2-Amino-4-(butylsulfinyl)butanoic acid	353382	"D,L-Buthionine Sulfoxide; 2-Amino-4-(butylsulfinyl)butanoic acid; 98487-33-3; 2-amino-4-butylsulfinylbutanoic acid; NSC601361; CHEMBL2000099; DTXSID80326553; 2-amino-4-butylsulfinyl-butanoic acid; NSC-601361; NCI60_004525; FT-0663952; FT-0663953"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601361	.	.	.	.	207.29	C8H17NO3S	99.6	184	-2.7	13	2	5	7	"InChI=1S/C8H17NO3S/c1-2-3-5-13(12)6-4-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)"	CCCCS(=O)CCC(C(=O)O)N	KOGSTWSVCBVYHO-UHFFFAOYSA-N
DG52633	5-Chloro-4-hydrazinoquinazoline	353384	"NSC601363; 5-Chloro-4-hydrazinoquinazoline; (5-chloroquinazolin-4-yl)hydrazine; Quinazoline, 5-chloro-4-hydrazinyl-; CHEMBL1994502; ZINC1607790; NSC-601363; 500864-28-8; NCI60_004527"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601363	.	.	.	.	194.62	C8H7ClN4	63.8	178	1.7	13	2	4	1	"InChI=1S/C8H7ClN4/c9-5-2-1-3-6-7(5)8(13-10)12-4-11-6/h1-4H,10H2,(H,11,12,13)"	C1=CC2=C(C(=C1)Cl)C(=NC=N2)NN	UIZDMFDDQVMVSH-UHFFFAOYSA-N
DG52634	Quinocarcin monocitrate	353396	"Quinocarcin monocitrate; NSC601422; MLS002702904; NSC-601422; Antibiotic DC-52 citrate; Quinocarcinomycin monocitrate; 3,2,3-cd]azulene- 5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro- 11-methoxy-12-methyl-, (2a-.alpha.,3-.alpha.,5-.alpha., 6-.alpha.,6a-.alpha.,11b-.alpha.)-(-)-, 2-hydroxy-1,2,3- propanetricarboxylate (1:1) (salt)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601422	.	.	.	.	522.5	C24H30N2O11	194	771	.	37	5	13	7	"InChI=1S/C18H22N2O4.C6H8O7/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,11+,12 ,13+,16 ,17-;/m0./s1"	CN1C2C[C@@H](C1[C@H]3CC4=C([C@@H]5N3[C@H]2OC5)C(=CC=C4)OC)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	MTZMRPGOPJFNLW-YFLVRMBNSA-N
DG52635	9-[(6-Nitro-3-pyridyl)sulfanyl]acridine	353415	NSC601518; CHEMBL1980097; NSC-601518; 9-[(6-nitro-3-pyridyl)sulfanyl]acridine; NCI60_004530; 9-((6-(Hydroxy(oxido)amino)-3-pyridinyl)thio)acridine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601518	.	.	.	.	333.4	C18H11N3O2S	96.9	436	4.7	24	0	5	2	InChI=1S/C18H11N3O2S/c22-21(23)17-10-9-12(11-19-17)24-18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18/h1-11H	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CN=C(C=C4)[N+](=O)[O-]	QTKORYOEJIXOSL-UHFFFAOYSA-N
DG52636	benzyl N-(trimethylsilylmethyl)carbamate	353436	NSC601811; CHEMBL1997004; ZINC195499472; NSC-601811; NCI60_004535	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601811	.	.	.	.	237.37	C12H19NO2Si	38.3	220	.	16	1	2	5	"InChI=1S/C12H19NO2Si/c1-16(2,3)10-13-12(14)15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,13,14)"	C[Si](C)(C)CNC(=O)OCC1=CC=CC=C1	MWVUREPCKMPVOF-UHFFFAOYSA-N
DG52637	"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate"	353471	"NSC601851; CHEMBL1988949; Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate; ZINC6379368; methyl N-(5-oxo-3,4-dihydro-1,3,4-benzotriazepin-2-yl)carbamate; NSC-601851; NCI60_004537"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601851	.	.	.	.	234.21	C10H10N4O3	91.8	356	0.4	17	3	4	2	"InChI=1S/C10H10N4O3/c1-17-10(16)12-9-11-7-5-3-2-4-6(7)8(15)13-14-9/h2-5H,1H3,(H,13,15)(H2,11,12,14,16)"	COC(=O)NC1=NC2=CC=CC=C2C(=O)NN1	ZQUNSLRRUXYQNE-UHFFFAOYSA-N
DG52638	Gallibiscoquinazole	353472	"Gallibiscoquinazole; NSC601853; CHEMBL1969416; ZINC1607872; NSC-601853; methyl N-[6,7,8-trimethoxy-2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; NCI60_004539; N,N'-[(6-Methoxy-7-methoxy-8-methoxy-4-oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601853	.	.	.	.	384.34	C15H20N4O8	146	556	1.6	27	4	9	7	"InChI=1S/C15H20N4O8/c1-23-8-6-7-9(11(25-3)10(8)24-2)16-15(17-12(7)20,18-13(21)26-4)19-14(22)27-5/h6,16H,1-5H3,(H,17,20)(H,18,21)(H,19,22)"	COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC	LZHVHZJESCMXKN-UHFFFAOYSA-N
DG52639	Verabiscoquinazole	353473	"Verabiscoquinazole; NSC601854; CHEMBL1976179; ZINC1607873; NSC-601854; methyl N-[6,7-dimethoxy-2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate; Carbamic acid, (1,2,3,4-tetrahydro-6,7-dimethoxy-4-oxo-2-quinazolinylidene)bis-, dimethyl ester; NCI60_004540; N,N'-[(6-Methoxy-7-methoxy-4-oxo-1,2,3,4-tetrahydroquinazoline)-2,2-diyl]bis(carbamic acid methyl) ester"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601854	.	.	.	.	354.32	C14H18N4O7	136	511	1.6	25	4	8	6	"InChI=1S/C14H18N4O7/c1-22-9-5-7-8(6-10(9)23-2)15-14(16-11(7)19,17-12(20)24-3)18-13(21)25-4/h5-6,15H,1-4H3,(H,16,19)(H,17,20)(H,18,21)"	COC1=C(C=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC	UOLOZKGRSLKSSH-UHFFFAOYSA-N
DG52640	2-Methyl-3-(2-phenylhydrazinyl)quinoxaline	353494	NSC 601980 (analog); 2-methyl-3-(2-phenylhydrazinyl)quinoxaline; 91757-46-9; NSC601980; 1-(3-methylquinoxalin-2-yl)-2-phenylhydrazine; CHEMBL1975311; HY-B1714; ZINC6483739; CS-5500; NSC-601980; NCI60_004544	.	.	Investigative Drug(s)	Investigative	Small molecular drug	601980	.	.	.	.	250.3	C15H14N4	49.8	277	3.8	19	2	4	3	"InChI=1S/C15H14N4/c1-11-15(19-18-12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10,18H,1H3,(H,17,19)"	CC1=NC2=CC=CC=C2N=C1NNC3=CC=CC=C3	LGFSRIOYSFTORO-UHFFFAOYSA-N
DG52641	1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea	353513	MLS002701732; NSC602022; CHEMBL1865552; ZINC1607906; NSC-602022; NCI60_004546; SMR001565328; 1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602022	.	.	.	.	404.8	C18H11ClF2N4O3	93.2	541	3.9	28	2	7	4	"InChI=1S/C18H11ClF2N4O3/c19-10-8-22-18(23-9-10)28-12-4-1-3-11(7-12)24-17(27)25-16(26)15-13(20)5-2-6-14(15)21/h1-9H,(H2,24,25,26,27)"	C1=CC(=CC(=C1)OC2=NC=C(C=N2)Cl)NC(=O)NC(=O)C3=C(C=CC=C3F)F	OURVGFASBSXJLK-UHFFFAOYSA-N
DG52642	13-Desoxyphomenone	353550	13-Desoxyphomenone; NSC602130; NSC-602130; NCI60_004551	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602130	.	.	.	.	248.32	C15H20O3	49.8	478	2.1	18	1	3	1	"InChI=1S/C15H20O3/c1-8(2)15-12(17)7-10-5-6-11(16)9(3)14(10,4)13(15)18-15/h7,9,11,13,16H,1,5-6H2,2-4H3/t9-,11 ,13 ,14+,15 /m0/s1"	C[C@H]1C(CCC2=CC(=O)C3(C([C@]12C)O3)C(=C)C)O	PCBDXYONDOCJPR-BLKUAORASA-N
DG52643	"N,N-dimethyl-1-(1H-perimidin-2-yl)methanamine"	353551	NSC602132; CHEMBL1995081; ZINC1607936; NSC-602132; NCI60_004552	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602132	.	.	.	.	225.29	C14H15N3	27.6	311	2.1	17	1	2	2	"InChI=1S/C14H15N3/c1-17(2)9-13-15-11-7-3-5-10-6-4-8-12(16-13)14(10)11/h3-8H,9H2,1-2H3,(H,15,16)"	CN(C)CC1=NC2=CC=CC3=C2C(=CC=C3)N1	ZZVTWGULKUBWQL-UHFFFAOYSA-N
DG52644	"2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-"	353606	"NSC602313; CHEMBL2006664; 2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-; NSC-602313; 95458-49-4; NCI60_004555; 2,4-Diamino-6-ethyl-5-(3-chloro-4-nitrophenyl)pyrimidine"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602313	.	.	.	.	293.71	C12H12ClN5O2	124	353	2.3	20	2	6	2	"InChI=1S/C12H12ClN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-9(18(19)20)7(13)5-6/h3-5H,2H2,1H3,(H4,14,15,16,17)"	CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl	WVOUXRHJGOEMJA-UHFFFAOYSA-N
DG52645	"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-"	353637	"NSC602610; CHEMBL1969777; 6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-; NSC-602610; NCI60_004562"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602610	.	.	.	.	266.29	C16H14N2O2	59.9	515	2.3	20	0	4	0	"InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3"	CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4CCC3C=C4)C	QGLROAKDEITONM-UHFFFAOYSA-N
DG52646	"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione"	353640	NSC602613; CHEMBL1964505; NSC-602613; NCI60_004563	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602613	.	.	.	.	225.24	C14H11NO2	47	428	1.5	17	0	3	0	"InChI=1S/C14H11NO2/c16-13-9-2-1-5-15-12(9)14(17)11-8-4-3-7(6-8)10(11)13/h1-5,7-8,10-11H,6H2"	C1C2C=CC1C3C2C(=O)C4=C(C3=O)N=CC=C4	FUMXYMLONDPFTF-UHFFFAOYSA-N
DG52647	"2,3-Dimethylbenzo[g]quinoxaline-5,10-dione"	353644	"NSC602617; MLS002702968; 2,3-Dimethylbenzo[g]quinoxaline-5,10-dione; SMR001566782; Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-; NCIMech_000009; cid_353644; CHEMBL1729297; BDBM91512; ZINC1608068; CCG-35262; NSC-602617; NCI60_004564; 2,3-dimethylbenzo[g]quinoxaline-5,10-quinone; Benzo[g]quinoxaline-5, 5,10-dihydro-2,3-dimethyl-; {Benzo[g]quinoxaline-5,10-dione,} 5,10-dihydro-2,3-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602617	.	.	.	.	238.24	C14H10N2O2	59.9	346	2.2	18	0	4	0	"InChI=1S/C14H10N2O2/c1-7-8(2)16-12-11(15-7)13(17)9-5-3-4-6-10(9)14(12)18/h3-6H,1-2H3"	CC1=C(N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O)C	QWAGSSCSLRFGSL-UHFFFAOYSA-N
DG52648	"2,9-Bis(chloromethyl)-1,10-phenanthroline"	353740	"2,9-Bis(chloromethyl)-1,10-phenanthroline; 1,10-Phenanthroline, 2,9-bis(chloromethyl)-; 87518-61-4; NSC602849; SCHEMBL8944345; CHEMBL1983660; DTXSID10326586; ZINC1608161; NSC-602849; NCI60_004568"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602849	.	.	.	.	277.1	C14H10Cl2N2	25.8	259	3.3	18	0	2	2	"InChI=1S/C14H10Cl2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2"	C1=CC2=C(C3=C1C=CC(=N3)CCl)N=C(C=C2)CCl	VHSRCSBZOPMBPA-UHFFFAOYSA-N
DG52649	"2,9-Bis(bromomethyl)-1,10-phenanthroline"	353741	"NSC602850; 2,9-Bis(bromomethyl)-1,10-phenanthroline; CHEMBL1976682; SCHEMBL1258482; DTXSID70326587; ZINC1608162; BDBM50401340; NSC-602850; 78831-37-5; NCI60_004569"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602850	.	.	.	.	366.05	C14H10Br2N2	25.8	259	3.6	18	0	2	2	"InChI=1S/C14H10Br2N2/c15-7-11-5-3-9-1-2-10-4-6-12(8-16)18-14(10)13(9)17-11/h1-6H,7-8H2"	C1=CC2=C(C3=C1C=CC(=N3)CBr)N=C(C=C2)CBr	DGDBWGQSYCEWHT-UHFFFAOYSA-N
DG52650	"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	353769	"NSC602881; MLS003373871; CHEMBL1978762; SCHEMBL11243781; Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate; NSC-602881; NCI60_004573; SMR002048663; methyl 5-fluoro-4-hydroxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	602881	.	.	.	.	206.13	C6H7FN2O5	105	307	-0.7	14	3	6	2	"InChI=1S/C6H7FN2O5/c1-14-4(12)6(7)2(10)8-5(13)9-3(6)11/h2,10H,1H3,(H2,8,9,11,13)"	COC(=O)C1(C(NC(=O)NC1=O)O)F	JUUPPQURHPYPOI-UHFFFAOYSA-N
DG52651	N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine	353840	NSC603098; N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine; CHEMBL1978561; ZINC5553544; NSC-603098; NCI60_004583; N-[4-(6-methyl-3-pyridyl)phenyl]acridin-9-amine; N-(9-Acridinyl)-N-(4-(6-methyl-3-pyridinyl)phenyl)amine	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603098	.	.	.	.	361.4	C25H19N3	37.8	478	6	28	1	3	3	"InChI=1S/C25H19N3/c1-17-10-11-19(16-26-17)18-12-14-20(15-13-18)27-25-21-6-2-4-8-23(21)28-24-9-5-3-7-22(24)25/h2-16H,1H3,(H,27,28)"	CC1=NC=C(C=C1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53	UCBSTJJOUMTSJA-UHFFFAOYSA-N
DG52652	"Pyridine, 2-(2-oxohydrazino)-5-(phenylsulfinyl)-"	353904	"NSC603534; Pyridine, 2-(2-oxohydrazino)-5-(phenylsulfinyl)-; SCHEMBL5255532; CHEMBL2010145; NCI60_004597; N-[5-(benzenesulfinyl)-2-pyridyl]nitrous amide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603534	.	.	.	.	247.28	C11H9N3O2S	90.6	282	1.7	17	1	6	3	"InChI=1S/C11H9N3O2S/c15-14-13-11-7-6-10(8-12-11)17(16)9-4-2-1-3-5-9/h1-8H,(H,12,13,15)"	C1=CC=C(C=C1)S(=O)C2=CN=C(C=C2)NN=O	PUJLYIOWHPMSEL-UHFFFAOYSA-N
DG52653	3-Dimethylamino-2-(4-methoxybenzoyl)propene	353912	3-Dimethylamino-2-(4-methoxybenzoyl)propene; NSC603553; 87142-72-1; CHEMBL1186544; SCHEMBL11023097; DTXSID90326600; 2-(dimethylaminomethyl)-1-(4-methoxyphenyl)prop-2-en-1-one; ZINC53281674; NCI60_004598; 4'-Methoxy-alpha-(dimethylaminomethyl)acrylophenone; 2-((Dimethylamino)methyl)-1-(4-methoxyphenyl)-2-propen-1-one hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603553	.	.	.	.	219.28	C13H17NO2	29.5	253	2	16	0	3	5	"InChI=1S/C13H17NO2/c1-10(9-14(2)3)13(15)11-5-7-12(16-4)8-6-11/h5-8H,1,9H2,2-4H3"	CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC	HRGGVRDUIMMKHK-UHFFFAOYSA-N
DG52654	2-(Dimethylaminomethyl)-1-(4-phenoxyphenyl)prop-2-en-1-one	353916	NSC603555; CHEMBL2008139; 2-(dimethylaminomethyl)-1-(4-phenoxyphenyl)prop-2-en-1-one; ZINC73314366; NCI60_004599; 1-(4-Phenoxyphenyl)-2-(dimethylaminomethyl)-2-propene-1-one; 2-((Dimethylamino)methyl)-1-(4-phenoxyphenyl)-2-propen-1-one hydrochloride	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603555	.	.	.	.	281.3	C18H19NO2	29.5	350	3.6	21	0	3	6	"InChI=1S/C18H19NO2/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h4-12H,1,13H2,2-3H3"	CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2	SJNPQWMXRQHPDV-UHFFFAOYSA-N
DG52655	"1-[5-(3,4-dichlorophenyl)-6-imino-4,4-dimethyl-1H-1,3,5-triazin-2-yl]-3-(p-tolylsulfonyl)urea"	353973	"NSC603624; MLS003373878; NCIMech_000418; CHEMBL1896784; ZINC1608359; CCG-35668; NSC-603624; NCI60_004602; SMR002048670; 1-[5-(3,4-dichlorophenyl)-6-imino-4,4-dimethyl-1H-1,3,5-triazin-2-yl]-3-(p-tolylsulfonyl)urea; N-({[5-(3,4-Dichlorophenyl)-6-imino-4,4-dimethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}carbonyl)-4-methylbenzenesulfonamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603624	.	.	.	.	483.4	C19H20Cl2N6O3S	138	849	3.7	31	3	4	4	"InChI=1S/C19H20Cl2N6O3S/c1-11-4-7-13(8-5-11)31(29,30)26-18(28)24-17-23-16(22)27(19(2,3)25-17)12-6-9-14(20)15(21)10-12/h4-10H,1-3H3,(H4,22,23,24,25,26,28)"	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(N(C(=N2)N)C3=CC(=C(C=C3)Cl)Cl)(C)C	JKBAKQRRBSSBIQ-UHFFFAOYSA-N
DG52656	methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate	353993	NSC603661; CHEMBL1978690; NSC-603661; NCI60_004603	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603661	.	.	.	.	376.4	C20H28N2O5	84.6	525	2.7	27	0	6	6	"InChI=1S/C20H28N2O5/c1-15(22(24)25)18(16-6-4-3-5-7-16)17-8-9-20(14-17,19(23)26-2)21-10-12-27-13-11-21/h3-7,15,17-18H,8-14H2,1-2H3/t15 ,17 ,18-,20 /m1/s1"	CC([C@@H](C1CCC(C1)(C(=O)OC)N2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]	GVASIQUISVGKAV-DQYDVZSKSA-N
DG52657	"3,5-Dichloro-4H-1,2,6-thiadiazin-4-one"	354026	"3,5-Dichloro-4H-1,2,6-thiadiazin-4-one; NSC603974; 3,5-dichloro-1,2,6-thiadiazin-4-one; 54865-01-9; SCHEMBL9309939; CHEMBL1990186; DTXSID00326611; ZINC1608420; NSC-603974; NCI60_004609"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603974	.	.	.	.	183.02	C3Cl2N2OS	67.1	192	2.2	9	0	4	0	InChI=1S/C3Cl2N2OS/c4-2-1(8)3(5)7-9-6-2	C1(=O)C(=NSN=C1Cl)Cl	ZKHPZXACANWNKQ-UHFFFAOYSA-N
DG52658	"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol"	354028	"NSC603976; MLS003373880; CHEMBL1867132; SCHEMBL11338151; AKOS005066082; NSC-603976; 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol; NCI60_004611; SMR002048672; 2-(4-(3-Fluoro-8-(hydroxy(oxido)amino)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl)ethanol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603976	.	.	.	.	403.5	C20H22FN3O3S	97.8	543	3	28	1	7	3	"InChI=1S/C20H22FN3O3S/c21-15-2-1-14-11-18(23-7-5-22(6-8-23)9-10-25)17-13-16(24(26)27)3-4-19(17)28-20(14)12-15/h1-4,12-13,18,25H,5-11H2"	C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]	SYZQQZSBHCAWAX-UHFFFAOYSA-N
DG52659	"7H-thieno[2,3-c]thiopyran-4-one"	354029	"7H-thieno[2,3-c]thiopyran-4-one; NSC603977; 5H-Thieno[2,3-c]thiopyran-4(7H)-one; SCHEMBL2435080; CHEMBL1971491; 7H-thieno[3,2-d]thiopyran-4-one; ZINC1608423; NSC-603977; 7h-thieno-[2,3-c]thiopyran-4(5h)-one; 7H-Thieno[2,3-c]thiopyran-4(5H)-one; NCI60_004612"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603977	.	.	.	.	170.3	C7H6OS2	70.6	158	1.7	10	0	3	0	"InChI=1S/C7H6OS2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-2H,3-4H2"	C1C2=C(C=CS2)C(=O)CS1	CVHNXSJXGCMRKF-UHFFFAOYSA-N
DG52660	"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine"	354039	"84803-71-4; 1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine; NSC603989; 1,5-bis(4-chlorophenyl)-2,2-dimethylimidazo[4,5-b]phenazine; 1,5-BIS(4-CHLOROPHENYL)-2,5-DIHYDRO-2,2-DIMETHYL-1H-IMIDAZO[4,5-B]PHENAZINE; EINECS 284-199-1; NSC 603989; DTXSID00233851; ZINC1608429; NSC-603989; 1,5-bis(4-chlorophenyl)-2,2-dimethyl-imidazo[4,5-b]phenazine; 1,5-bis-(4-Chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-b]phenazine; 1H-Imidazo[4,5-b]phenazine, 1,5-bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	603989	.	.	.	.	471.4	C27H20Cl2N4	31.2	903	6.7	33	0	4	2	"InChI=1S/C27H20Cl2N4/c1-27(2)31-23-16-25-22(15-26(23)33(27)20-13-9-18(29)10-14-20)30-21-5-3-4-6-24(21)32(25)19-11-7-17(28)8-12-19/h3-16H,1-2H3"	CC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2N1C6=CC=C(C=C6)Cl)C	HFSRYMCNSIJDJB-UHFFFAOYSA-N
DG52661	NSC604558	354083	[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride; NSC604558; 63617-54-9; DTXSID20326618; NSC-604558	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604558	.	.	.	.	656.2	C39H36ClN6O2+	73.3	1380	.	48	2	7	6	"InChI=1S/C39H34N6O2.ClH/c1-44(2)24-14-16-30-34(20-24)46-36-22-32(26-10-5-7-12-28(26)38(36)42-30)40-18-9-19-41-33-23-37-39(29-13-8-6-11-27(29)33)43-31-17-15-25(45(3)4)21-35(31)47-37;/h5-8,10-17,20-23H,9,18-19H2,1-4H3;1H/p+1"	C[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCCCNC5=CC6=C(C7=CC=CC=C75)N=C8C=CC(=[N+](C)C)C=C8O6)OC2=C1)C.[Cl-]	HOTPTFYYKLGCNX-UHFFFAOYSA-O
DG52662	"2-(4-Iodobenzyl)ellipticine, hydrochloride"	354096	"NSC604574; CHEMBL68857; NSC-604574; 2-(4-Iodobenzyl)ellipticine, hydrochloride; 2H-Pyrido[4, 2-[(4-iodophenyl)methyl]-5,11-dimethyl-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604574	.	.	.	.	498.8	C24H20ClIN2	19.7	517	.	28	1	1	2	"InChI=1S/C24H19IN2.ClH/c1-15-21-14-27(13-17-7-9-18(25)10-8-17)12-11-19(21)16(2)24-23(15)20-5-3-4-6-22(20)26-24;/h3-12,14H,13H2,1-2H3;1H"	CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)CC5=CC=C(C=C5)I.[Cl-]	UTLRRQXGPHVVQQ-UHFFFAOYSA-N
DG52663	"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione"	354141	NSC604869; ZINC5759660; NSC-604869	.	.	Investigative Drug(s)	Investigative	Small molecular drug	604869	.	.	.	.	297.22	C15H7NO6	98.4	529	2.5	22	0	6	0	"InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-10-15(22-6-21-10)12(11)16(19)20/h1-5H,6H2"	C1OC2=C(O1)C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]	PPORIJGQJTZRNJ-UHFFFAOYSA-N
DG52664	"B676297K277 3',4'-chlorohydrin"	354175	"CHEMBL1966292; NSC605099; NSC-605099; B676297K277 3',4'-chlorohydrin; NCI60_004630"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605099	.	.	.	.	376.8	C19H17ClO6	85.2	558	2.8	26	2	6	3	"InChI=1S/C19H17ClO6/c1-19(23,8-20)14-6-10-12(25-14)7-13(24-2)15-16(22)9-4-3-5-11(21)17(9)26-18(10)15/h3-5,7,14,21,23H,6,8H2,1-2H3"	CC(CCl)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O	QDSRUIDWGNCDAY-UHFFFAOYSA-N
DG52665	"B676297K152 3',4'-Deoxypsorospermin"	354176	"NSC605100; B676297K152 3',4'-Deoxypsorospermin; CHEMBL2000124; NSC-605100; NCI60_004631"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605100	.	.	.	.	324.3	C19H16O5	65	532	3.9	24	1	5	2	"InChI=1S/C19H16O5/c1-9(2)13-7-11-14(23-13)8-15(22-3)16-17(21)10-5-4-6-12(20)18(10)24-19(11)16/h4-6,8,13,20H,1,7H2,2-3H3"	CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O	KTBULHGICAOTLC-UHFFFAOYSA-N
DG52666	"5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide"	354292	"NSC605440; CHEMBL1988307; ZINC1609122; 5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide; NSC-605440; NCI60_004634; Isothiazolo[2, 5,7-bis(trifluoromethyl)- 2,3-dihydro-, 1,1-dioxide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605440	.	.	.	.	319.23	C10H7F6NO2S	45.8	618	1.8	20	0	9	0	"InChI=1S/C10H7F6NO2S/c11-9(12,13)6-3-7(10(14,15)16)5-17-8(4-6)1-2-20(17,18)19/h3-5H,1-2H2"	C1CS(=O)(=O)N2C1=CC(=CC(=C2)C(F)(F)F)C(F)(F)F	SPYVOADDHVSQOG-UHFFFAOYSA-N
DG52667	"N-(2-methoxy-4,5-dinitro-phenyl)butanamide"	354341	"NSC605763; CHEMBL1976122; ZINC5759799; NSC-605763; NCI60_004645; N-(2-methoxy-4,5-dinitro-phenyl)butanamide; N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	605763	.	.	.	.	283.24	C11H13N3O6	130	377	1.6	20	1	6	4	"InChI=1S/C11H13N3O6/c1-3-4-11(15)12-7-5-8(13(16)17)9(14(18)19)6-10(7)20-2/h5-6H,3-4H2,1-2H3,(H,12,15)"	CCCC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])[N+](=O)[O-]	ZYCBVSIJSINLPA-UHFFFAOYSA-N
DG52668	11-Hydroxymethyl-20(RS)-camptothecin	354395	"NSC606173; 11-Hydroxymethyl-20(RS)-camptothecin; CHEMBL300947; 4-Ethyl-4-hydroxy-8-(hydroxymethyl)-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; NCI60_004655; {1H-Pyrano[3',4':6,} {7]indolizino[1,2-b]quinoline-3,14(4H,12H)-} dione, 4-ethyl-4-hydroxy-8-(hydroxymethyl)-, (+-)-; 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 4-ethyl-4-hydroxy-8-(hydroxymethyl)-, (+-)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606173	.	.	.	.	378.4	C21H18N2O5	100	790	0.1	28	2	6	2	"InChI=1S/C21H18N2O5/c1-2-21(27)15-7-17-18-13(6-12-4-3-11(9-24)5-16(12)22-18)8-23(17)19(25)14(15)10-28-20(21)26/h3-7,24,27H,2,8-10H2,1H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)CO)O	OMGTYUHDWOFQOZ-UHFFFAOYSA-N
DG52669	Annonacin	354398	"Annonacin; 111035-65-5; UNII-40372ET6TM; (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one; 40372ET6TM; NSC606194; C35H64O7; CHEMBL67945; SCHEMBL14666180; DTXSID20892989; HY-N2877; 9095AF; ZINC43242049; NSC-606194; NCI60_004657; B83674F237; CS-0023456; C20213; Q2058866; 2(5H)-Furanone, 5-methyl-3-(2,8,13-trihydroxy-13-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)tridecyl)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606194	.	.	.	.	596.9	C35H64O7	116	726	8.4	42	4	7	26	"InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1"	CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O	XNODZYPOIPVPRF-CGWDHHCXSA-N
DG52670	Dolastatin 11	354399	"Dolastatin 11; NSC606195; 111517-68-1; NSC 606195; CHEMBL507131; SCHEMBL1268644; ANTINEOPLASTIC-D606195; NSC-606195; From marine animal Dolabella auricularia; NCI60_004658; B720389K031; C16905; Cyclo(L-alanyl-(2S,3R)-3-amino-2-methylpentanoyl-(2S,3S)-2-hydroxy-3-methylpentanoylglycyl-N-methyl-L-leucylglycyl-N-methyl-L-valyl-N,O-dimethyl-L-tyrosyl-(4S)-4-amino-2,2-dimethyl-3-oxopentanoyl)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606195	.	.	.	.	985.2	C50H80N8O12	259	1870	5.1	70	5	12	9	"InChI=1S/C50H80N8O12/c1-17-29(7)41-46(65)52-25-38(59)56(13)36(23-27(3)4)44(63)51-26-39(60)58(15)40(28(5)6)47(66)57(14)37(24-33-19-21-34(69-16)22-20-33)45(64)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(18-2)30(8)48(67)70-41/h19-22,27-32,35-37,40-41H,17-18,23-26H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,62)/t29-,30-,31-,32-,35+,36-,37-,40-,41-/m0/s1"	CC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N[C@H](C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C	XOSLDLHSPLPVME-FKLVWXFWSA-N
DG52671	"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	354440	NSC606398; CHEMBL1972775; NSC-606398	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606398	.	.	.	.	380	C20H34ClN5	80	469	.	26	3	1	9	"InChI=1S/C20H33N5.ClH/c1-4-5-6-7-8-9-10-12-16-13-11-14-17(15-16)25-19(22)23-18(21)24-20(25,2)3;/h11,13-15H,4-10,12H2,1-3H3,(H4,21,22,23,24);1H"	CCCCCCCCCC1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N.Cl	LXYSMRWCLAIETP-UHFFFAOYSA-N
DG52672	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile"	354550	"NSC606566; CHEMBL1989389; NSC-606566; 5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile; NCI60_004678; 5,7a-dimethyl-2-oxo-7-phenyl-6,7-dihydrobenzofuran-3-carbonitrile"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606566	.	.	.	.	265.31	C17H15NO2	50.1	557	2.4	20	0	3	1	"InChI=1S/C17H15NO2/c1-11-8-14(12-6-4-3-5-7-12)17(2)15(9-11)13(10-18)16(19)20-17/h3-7,9,14H,8H2,1-2H3"	CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C#N	BWPCOPALCNZLRA-UHFFFAOYSA-N
DG52673	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide"	354551	"NSC606567; CHEMBL1971754; 5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide; NSC-606567; NCI60_004679; 5,7a-dimethyl-2-oxo-7-phenyl-6,7-dihydrobenzofuran-3-carboxamide"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606567	.	.	.	.	283.32	C17H17NO3	69.4	554	2.1	21	1	3	2	"InChI=1S/C17H17NO3/c1-10-8-12(11-6-4-3-5-7-11)17(2)13(9-10)14(15(18)19)16(20)21-17/h3-7,9,12H,8H2,1-2H3,(H2,18,19)"	CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C(=O)N	DSRJHESEKMVRDL-UHFFFAOYSA-N
DG52674	5-(6-Amino-2-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol	354624	"CHEMBL277800; 5-(6-amino-2-chloro-9-purinyl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol; 491594-60-6; Clolar (Genzyme); SCHEMBL2887297; CHEBI:91901; HMS3269F07; HMS3654D03; BDBM50008368; NSC606869; 5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol; NSC-606869; SB17339; NCGC00167792-01; NCGC00389786-02; LS-13770; SY028644; Adenosine, 2-chloro-2'-deoxy-2'-fluoro-; FT-0601617; AB01273949-01; A805043; BRD-A82371568-001-01-5; Q27163698; Adenine, 2-chloro-9-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-; (2R,3S)-5-(6-Amino-2-chloro-purin-9-yl)-4-fluoro-2-hydroxymethyl-tetrahydro-furan-3-ol; 5-(6-Amino-2-chloro-purin-9-yl)-4-fluoro-2-hydroxymethyl-tetrahydro-furan-3-ol; 5-(6-azanyl-2-chloranyl-purin-9-yl)-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606869	.	.	.	.	303.68	C10H11ClFN5O3	119	370	0.9	20	3	8	2	"InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)"	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)F)Cl)N	WDDPHFBMKLOVOX-UHFFFAOYSA-N
DG52675	Campothecin analog	354677	"MLS000766263; NSC606985; SMR000528863; CAMPOTHECIN ANALOG; Glycine, 4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H- pyrano[3', 4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-, monohydrochloride; NSC-606985; cid_354677; SCHEMBL6115929; CHEMBL1518154; BDBM46549; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl aminoacetate hydrochloride; Glycine,4,12,14-tetrahydro-3,14-dioxo-1H- pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, (S)-, monohydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606985	.	.	.	.	441.9	C22H20ClN3O5	112	865	.	31	2	7	4	"InChI=1S/C22H19N3O5.ClH/c1-2-22(30-18(26)9-23)15-8-17-19-13(7-12-5-3-4-6-16(12)24-19)10-25(17)20(27)14(15)11-29-21(22)28;/h3-8H,2,9-11,23H2,1H3;1H"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN.Cl	DPGPIFODEPGGKB-UHFFFAOYSA-N
DG52676	NSC606986	354680	"(19-Ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) 2-(methylamino)acetate; Camptothecin, N-methylglycinate ester; NSC606986; CHEMBL2010446; NCI60_004689; [ethyl(dioxo)[ ]yl] 2-(methylamino)acetate; 4-Ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl (methylamino)acetate hydrochloride; Glycine, N-methyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14- {dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl} ester, monohydrochloride, (S)-; Glycine, N-methyl-, 4-ethyl-3,4,12,14-tetrahydro-3,14- dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester, monohydrochloride, (S)-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	606986	.	.	.	.	419.4	C23H21N3O5	97.8	880	1.2	31	1	7	5	"InChI=1S/C23H21N3O5/c1-3-23(31-19(27)10-24-2)16-9-18-20-14(8-13-6-4-5-7-17(13)25-20)11-26(18)21(28)15(16)12-30-22(23)29/h4-9,24H,3,10-12H2,1-2H3"	CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNC	VKZTYDFCSYWAFX-UHFFFAOYSA-N
DG52677	"2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid"	354767	"NSC607301; CHEMBL1982461; NSC-607301; L-Glutamic acid,4-diamino-6-pteridinyl) methyl]amino]-3-fluorobenzoyl]-, trifluoroacetate; 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)-3-fluorobenzoyl)glutamic acid trifluoroacetate"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607301	.	.	.	.	572.4	C21H20F4N8O7	257	801	.	40	7	18	9	"InChI=1S/C19H19FN8O5.C2HF3O2/c20-10-5-8(17(31)26-12(18(32)33)3-4-13(29)30)1-2-11(10)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16;3-2(4,5)1(6)7/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28);(H,6,7)"	C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.C(=O)(C(F)(F)F)O	YWGTVZUAUGVIJQ-UHFFFAOYSA-N
DG52678	"3-[4-(2,2-Diacetylethenyl)benzylidene]-2,4-pentanedione"	354777	"NSC607320; SCHEMBL9315389; CHEMBL1989803; ZINC1610066; NSC-607320; NCI60_004699; 1,4-bis-(2-acetyl-3-oxo-l-butenyl)benzene; 3-[4-(2,2-Diacetylethenyl)benzylidene]-2,4-pentanedione; 3-(4-(2-Acetyl-3-oxo-1-butenyl)benzylidene)-2,4-pentanedione; 3-[[4-(2-acetyl-3-oxo-but-1-enyl)phenyl]methylene]pentane-2,4-dione"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607320	.	.	.	.	298.3	C18H18O4	68.3	461	1.8	22	0	4	6	"InChI=1S/C18H18O4/c1-11(19)17(12(2)20)9-15-5-7-16(8-6-15)10-18(13(3)21)14(4)22/h5-10H,1-4H3"	CC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C)C(=O)C	GCFLTOLIWWOBOI-UHFFFAOYSA-N
DG52679	1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene	354778	"NSC607347; NCIMech_000129; CHEMBL1978369; 1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene; ZINC1610067; CCG-35265; NSC-607347; NCI60_004700; 2-Chloro-1-(chloromethyl)ethyl 4-fluorophenyl sulfide; 1-[2-chloro-1-(chloromethyl)ethyl]sulfanyl-4-fluoro-benzene; Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-; Benzene, {1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-}"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607347	.	.	.	.	239.14	C9H9Cl2FS	25.3	134	3.8	13	0	2	4	"InChI=1S/C9H9Cl2FS/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9H,5-6H2"	C1=CC(=CC=C1F)SC(CCl)CCl	LIWQRLJKDFATDY-UHFFFAOYSA-N
DG52680	2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol	355054	NSC607993; CHEMBL1979553; ZINC1610305; NSC-607993; NCI60_004715; 2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol; 2-bromo-6-[5-(4-methoxyphenyl)isoxazol-3-yl]-4-methyl-phenol	.	.	Investigative Drug(s)	Investigative	Small molecular drug	607993	.	.	.	.	360.2	C17H14BrNO3	55.5	362	4.4	22	1	4	3	"InChI=1S/C17H14BrNO3/c1-10-7-13(17(20)14(18)8-10)15-9-16(22-19-15)11-3-5-12(21-2)6-4-11/h3-9,20H,1-2H3"	CC1=CC(=C(C(=C1)Br)O)C2=NOC(=C2)C3=CC=C(C=C3)OC	XCTYDHVGKNVUMM-UHFFFAOYSA-N
DG52681	NSC608003	355058	"Sodium;[5-[(2-amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate;2,3,4,5,6-pentahydroxyhexanoic acid;chloride; NSC608003; CHEMBL2004026; NSC-608003; L-Phenylalanine,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7- tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f] isoindole-2,6-diyl)bis(methylene) ester, compd. with D-gluconic acid and sodium chloride (1:2:2)"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608003	.	.	.	.	881.3	C40H46ClN4NaO15	318	1440	.	61	8	18	17	"InChI=1S/C34H34N4O8.C6H12O7.ClH.Na/c35-21(13-17-7-3-1-4-8-17)33(43)45-15-37-29(39)25-19-11-12-20(26(25)30(37)40)24-23(19)27-28(24)32(42)38(31(27)41)16-46-34(44)22(36)14-18-9-5-2-6-10-18;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-12,19-28H,13-16,35-36H2;2-5,7-11H,1H2,(H,12,13);1H;/q;;;+1/p-1"	C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N.C(C(C(C(C(C(=O)O)O)O)O)O)O.[Na+].[Cl-]	NRRZIBNQPBLBOB-UHFFFAOYSA-M
DG52682	"1H-Benz[de]isoquinoline-1, 2,2'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride"	355134	"NSC608233; CHEMBL1977736; NSC615803; NSC-608233; NSC-615803; 1H-Benz[de]isoquinoline-1, 2,2'-[1,2- ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	615803	.	.	.	.	751.1	C32H27ClN8O12	282	1270	.	53	3	14	11	"InChI=1S/C32H26N8O12.ClH/c41-29-23-13-19(37(45)46)9-17-10-20(38(47)48)14-24(27(17)23)30(42)35(29)7-1-3-33-5-6-34-4-2-8-36-31(43)25-15-21(39(49)50)11-18-12-22(40(51)52)16-26(28(18)25)32(36)44;/h9-16,33-34H,1-8H2;1H"	C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCNCCNCCCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl	BKKSKIIDTWHAPV-UHFFFAOYSA-N
DG52683	"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	355146	"CHEMBL1997011; NSC608329; SCHEMBL10526549; ZINC5760434; BDBM50440389; NSC-608329; NCI60_004723; 2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608329	.	.	.	.	408.4	C22H24N4O4	116	612	1.2	30	4	6	8	"InChI=1S/C22H24N4O4/c1-3-23-11-19(27)25-13-5-7-15-17(9-13)21(29)16-8-6-14(10-18(16)22(15)30)26-20(28)12-24-4-2/h5-10,23-24H,3-4,11-12H2,1-2H3,(H,25,27)(H,26,28)"	CCNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNCC	OWIKGBYLJUIGMT-UHFFFAOYSA-N
DG52684	"3-(Dimethylaminomethyl)-7,8-dimethoxy-chroman-4-one"	355374	"NSC608776; CHEMBL2010140; NCI60_004736; 3-(dimethylaminomethyl)-7,8-dimethoxy-chroman-4-one; 3-((Dimethylamino)methyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one hydrochloride"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608776	.	.	.	.	265.3	C14H19NO4	48	321	1.4	19	0	5	4	"InChI=1S/C14H19NO4/c1-15(2)7-9-8-19-13-10(12(9)16)5-6-11(17-3)14(13)18-4/h5-6,9H,7-8H2,1-4H3"	CN(C)CC1COC2=C(C1=O)C=CC(=C2OC)OC	RRDYAYUAHOIMFI-UHFFFAOYSA-N
DG52685	2'-Glutaryltaxol-3-(dimethylamino)propylamide	355392	"NSC608832; Taxol, 2'-N-[3-(dimethylamino)propyl]glutaramate; NSC-608832; 2'-Glutaryltaxol-3-(dimethylamino)propylamide; Benzenepropanoic acid,5-dioxopentyl]oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy- 4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4] benz[1,2-b]oxet-9-yl ester, [2aR-[2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(.alpha.R*, .beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.]]-"	.	.	Investigative Drug(s)	Investigative	Small molecular drug	608832	.	.	.	.	1088.6	C57H70ClN3O16	260	2200	.	77	5	17	24	"InChI=1S/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-7