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STK538328
Synonyms: diethyl(acetylamino)[4-(diphenylphosphoryl)butyl]propanedioate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCP(=O)(c1ccccc1)c1ccccc1

STK538329
Synonyms: 2-methyl-N-(phenylacetyl)glutamicacid
Smiles: O=C(Cc1ccccc1)NC(C(=O)O)(CCC(=O)O)C

STK839483
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cc(C)ccc1C

STK538334
Synonyms: 2,2-dimethyl-5-[(1,3-thiazol-2-ylamino)methylidene]-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(C)OC(=O)C1=CNc1nccs1

STK839485
Synonyms: N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1-methyl-1H-indole-3-carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1cn(c2c1cccc2)C)OC

STK538336
Synonyms: ethyl4-(2-chlorophenyl)-5-cyano-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-2-propyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCCC1=C(C(=O)OCC)C(C(=C(N1)SCC(=O)Nc1c(C)cc(cc1C)C)C#N)c1ccccc1Cl

STK538338
Synonyms: N-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)quinazolin-4-amine
Smiles: COc1ccc(c(c1)OC)Nc1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK538339
Synonyms: 5-cyano-4-(4-ethoxyphenyl)-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2ccc(cc2)CC)nc(c1C(=O)Nc1ccccc1)C

STK839486
Synonyms: 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(c(c1)OC)OC)c(c(n2)N)C#N

STK538340
Synonyms: 5,7-dibromoquinolin-8-yl2,4-dimethylbenzenesulfonate
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)Oc1c(Br)cc(c2c1nccc2)Br

STK538341
Synonyms: 2-[4-(diphenylmethyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK538342
Synonyms: 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2sc3c(n2)ccc(c3)F)c(c2c1cccc2)O

STK538343
Synonyms: tert-butyl6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

STK839490
Synonyms: 3-amino-N-(4-bromophenyl)-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK839491
Synonyms: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C(C)C

STK839492
Synonyms: 2-(3-methoxyphenyl)-5-phenyl-4-(thiophen-2-yl)-1H-imidazole
Smiles: COc1cccc(c1)c1[nH]c(c(n1)c1cccs1)c1ccccc1

STK538345
Synonyms: 1-methyl-4-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: CN1CCN(CC1)c1nc2ccccc2n2c1nnc2C

STK538346
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(naphthalen-2-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC2=C(C1c1ccc(cc1)Cl)C(=O)CCC2

STK538347
Synonyms: N-[4-({[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]benzenesulfonamide
Smiles: O=C(c1ccc(cc1)NS(=O)(=O)c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccncc1

STK839494
Synonyms: 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=C(C1c1ccco1)C(=O)N)C

STK839495
Synonyms: 4-bromo-2-[5-phenyl-4-(thiophen-2-yl)-1H-imidazol-2-yl]phenol
Smiles: Brc1ccc(c(c1)c1[nH]c(c(n1)c1cccs1)c1ccccc1)O

STK538349
Synonyms: 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-4-[4-(propan-2-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1c(N)nc2c(c1c1ccc(cc1)C(C)C)c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)C

STK839496
Synonyms: prop-2-en-1-yl6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cc(Cl)ccc1C

STK839498
Synonyms: 3-amino-4-(thiophen-2-yl)-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1cc(C)c(c(c1)C)NC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK538353
Synonyms: 3-({2-[(4-methylquinolin-2-yl)amino]ethyl}amino)cyclohex-2-en-1-one
Smiles: O=C1CCCC(=C1)NCCNc1cc(C)c2c(n1)cccc2

STK839502
Synonyms: prop-2-en-1-yl5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)C

STK839504
Synonyms: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(C)OC(=O)C1=CNc1ccc2c(c1)OCO2

STK538354
Synonyms: 3-amino-N-(3,4-dichlorophenyl)-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CC(c1ccc(cc1)c1c2CCCCc2nc2c1c(N)c(s2)C(=O)Nc1ccc(c(c1)Cl)Cl)C

STK538356
Synonyms: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cc(CCCn2cnc3c(c2=O)[nH]c2c3cc(cc2)F)ccc1OC

STK538357
Synonyms: hexyl3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
Smiles: CCCCCCOC(=O)CCn1[nH]c(=O)c2c(c1=O)cccc2

STK538359
Synonyms: 1-(5-methoxy-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CNc1nccs1

STK538361
Synonyms: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C

STK839507
Synonyms: N-(4-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)NC=C1C(=O)OC2(OC1=O)CCCCC2

STK839509
Synonyms: 2-amino-4-(4-ethoxyphenyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: CCOc1ccc(cc1)c1c(C#N)c(SCC(=O)c2ccc(cc2)OC)nc(c1C#N)N

STK538364
Synonyms: [3-(diphenylphosphoryl)propyl](2-phenylethyl)phosphinicacid
Smiles: OP(=O)(CCc1ccccc1)CCCP(=O)(c1ccccc1)c1ccccc1

STK839513
Synonyms: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC(=O)CC1c1ccc(cc1)C(C)C

STK839514
Synonyms: N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
Smiles: O=C(CC1SC(=O)N(C1=O)CN1CCOCC1)Nc1ccc(cc1)C

STK538366
Synonyms: prop-2-en-1-yl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(cc1)Br

STK839515
Synonyms: 2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
Smiles: O=C(c1ccccc1O)Nc1nc2c(s1)CCCC2

STK839516
Synonyms: prop-2-en-1-yl6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)Cl

STK839517
Synonyms: methyl6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)C(=O)C

STK839518
Synonyms: benzyl6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)N)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK839519
Synonyms: 6-[(2-chlorobenzyl)sulfanyl]-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1)C

STK538368
Synonyms: (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)c1nc2c(s1)cccc2

STK839520
Synonyms: 1-(4-methoxyphenyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)OC

STK538371
Synonyms: 3-{(1Z)-1-[(2Z)-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)hydrazinylidene]ethyl}-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)/C(=N\N=C\1/NC(C)(C)Cc2c1cccc2)/C

STK538373
Synonyms: 6-[(2-chlorobenzyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCc2ccccc2Cl)NC(=C(C1c1ccccc1Cl)C(=O)Nc1ccccc1OC)C

STK839522
Synonyms: 2-{[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccccc1Cl)C(=O)C)C

STK839523
Synonyms: 5,5,8,9-tetramethyl-5,6-dihydrotetrazolo[5,1-a]isoquinoline
Smiles: Cc1cc2c(cc1C)CC(n1c2nnn1)(C)C

STK538376
Synonyms: N~2~-benzyl-6-methyl-N~4~-phenylpyrimidine-2,4-diamine
Smiles: Cc1nc(NCc2ccccc2)nc(c1)Nc1ccccc1

STK839525
Synonyms: 3-{[(2-ethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: CCOc1ccccc1NC=C1C(=O)OC2(OC1=O)CCCCC2

STK839526
Synonyms: 2-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Smiles: CC1(C)Cc2ccccc2C(=N1)CC(C(F)(F)F)(C(F)(F)F)O

STK839527
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COc1cccc(c1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl

STK538382
Synonyms: ethyl3-{[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC3(CC1)OCCO3)C)cc(cc2)F

STK839528
Synonyms: 6-methyl-5-(2-methylprop-2-en-1-yl)-2-sulfanylpyrimidin-4(3H)-one
Smiles: CC(=C)Cc1c(C)nc([nH]c1=O)S

STK839529
Synonyms: 1-(2-chlorophenoxy)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)COc1ccccc1Cl

STK538393
Synonyms: methyl2-[(3-{[(4-methylphenyl)sulfonyl]amino}quinoxalin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCC2

STK538400
Synonyms: 11-hexyl-3-[3-(morpholin-4-yl)propyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCCN1CCOCC1

STK839531
Synonyms: 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CCC2

STK839532
Synonyms: 3-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: Clc1ccc(c(c1)C(F)(F)F)NC=C1C(=O)OC2(OC1=O)CCCCC2

STK538402
Synonyms: 3-amino-N-(4-bromophenyl)-4-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccc(cc1)C(C)C)c1c(n2)CCCC1

STK839536
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK839538
Synonyms: prop-2-en-1-yl5-cyano-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cccc(c1)C

STK839539
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=C)C)NC(=O)CC1c1ccc2c(c1)OCO2

STK839540
Synonyms: 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1)C

STK538409
Synonyms: 2-(1-methyl-3-phenyl-1H-1,2,4-triazol-5-yl)phenol
Smiles: Cn1nc(nc1c1ccccc1O)c1ccccc1

STK538410
Synonyms: 3,3,6,7-tetramethyl-N-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine
Smiles: Cc1cc2CC(C)(C)N=C(c2cc1C)Nc1nccs1

STK538413
Synonyms: ethyl4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-propyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(CCC)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)C

STK538414
Synonyms: N-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-benzimidazol-1-amine
Smiles: c1ccc(cc1)/C=C/C=N/n1cnc2c1cccc2

STK839542
Synonyms: 2-{[(4-chloro-2,5-dimethoxyphenyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1cc(Cl)c(cc1NC=C1C(=O)CC(CC1=O)(C)C)OC

STK538415
Synonyms: 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C(C1c1ccncc1)C(=O)Nc1ccc(cc1)Cl)C

STK538419
Synonyms: N-(4-methoxyphenyl)-2-(3-nitrophenyl)quinazolin-4-amine
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK839546
Synonyms: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC(=C(C1c1ccco1)C(=O)N)C

STK538421
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)Cl)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK839547
Synonyms: 3-{[(2-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccccc1[N+](=O)[O-]

STK839549
Synonyms: benzyl3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Smiles: O=C(c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1)OCc1ccccc1

STK839551
Synonyms: 1-(3,4-dimethoxyphenyl)-11,11-dimethyl-10,11-dihydrobenzo[f][1,2,4]triazolo[3,4-a]isoquinoline
Smiles: COc1cc(ccc1OC)c1nnc2n1C(C)(C)Cc1c2ccc2c1cccc2

STK839552
Synonyms: benzyl3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccco1)OCc1ccccc1

STK538423
Synonyms: methyl5-cyano-4-(4-ethoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SC

STK839554
Synonyms: (5Z)-2-(4-acetylpiperazin-1-yl)-5-{[5-(4-methylphenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)C(=O)C

STK839557
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)C

STK538429
Synonyms: 5-cyano-4-(3,4-dimethoxyphenyl)-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)C)C)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK839558
Synonyms: 2-(3-nitrophenyl)-4-(pyrrolidin-1-yl)quinazoline
Smiles: [O-][N+](=O)c1cccc(c1)c1nc2ccccc2c(n1)N1CCCC1

STK538432
Synonyms: N-{(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}thiophene-2-carboxamide
Smiles: C/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1cccs1

STK538433
Synonyms: benzyl4-(4-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538435
Synonyms: 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-3-carbonitrile
Smiles: N#CC1CCc2c1[nH]c1c2cc(cc1)C

STK839562
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(c(c1)C)C

STK538436
Synonyms: 3-{4-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/S1

STK839563
Synonyms: prop-2-en-1-yl6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cccc(c1)C(=O)C

STK538438
Synonyms: 2-methyl-N-[3-(morpholin-4-yl)propyl]-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide
Smiles: O=C(c1c(C)sc2c1nc1CCCCCn1c2=O)NCCCN1CCOCC1

STK538439
Synonyms: N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]-2-methylbenzenesulfonamide
Smiles: CC1OC(C)CN(C1)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1C

STK839566
Synonyms: methyl{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccccc1F

STK839567
Synonyms: 2-methoxyethyl4-(2-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1CC

STK839569
Synonyms: 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK538443
Synonyms: 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]-2-methoxybenzoicacid
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK538445
Synonyms: 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(4-chlorophenyl)-5-cyano-4-(4-methoxyphenyl)-2-methylpyridine-3-carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)nc(c1C(=O)Nc1ccc(cc1)Cl)C

STK839570
Synonyms: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCCSc2nc3c(o2)cccc3)C(=O)c2c1cccc2

STK538449
Synonyms: 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1)C

STK538450
Synonyms: 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
Smiles: COc1ccc2c(c1)sc(c2Cl)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)Cl

STK839573
Synonyms: prop-2-en-1-yl6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cccc(c1C)Cl

STK538455
Synonyms: ethyl1-{[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]methyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CN1C(=S)S/C(=C/c2ccc(cc2)OC)/C1=O

STK839578
Synonyms: 3-amino-N-(3-chlorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK538458
Synonyms: 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK839580
Synonyms: [3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-chlorophenyl)methanone
Smiles: Clc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK538461
Synonyms: benzyl4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK538466
Synonyms: 8,9-dimethoxy-3,5,5-trimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Smiles: COc1cc2c(cc1OC)CC(n1c2nnc1C)(C)C

STK839583
Synonyms: 2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC2=C(C1c1ccc(o1)C)C(=O)CCC2

STK538469
Synonyms: 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccccc1)C

STK839584
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1C)C

STK538470
Synonyms: 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylsulfanyl)-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SC)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1)C

STK839586
Synonyms: prop-2-en-1-yl6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C

STK839587
Synonyms: N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
Smiles: OC(CN(S(=O)(=O)C)Cc1ccco1)Cn1c2ccccc2c2c1cccc2

STK538472
Synonyms: 2-[(3,4-dimethoxyphenyl)(phenyl)methyl]-5-methylfuran
Smiles: COc1ccc(cc1OC)C(c1ccc(o1)C)c1ccccc1

STK839591
Synonyms: ethyl5-acetyl-2-{[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-4-methylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C(=O)C

STK538473
Synonyms: 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK839595
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

STK538477
Synonyms: 2-(benzylsulfanyl)-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(c1Cl)Cl

STK839596
Synonyms: 3-amino-N-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C

STK839598
Synonyms: 3-amino-4-(3,4-dimethoxyphenyl)-6-methyl-N-phenyl-2-(phenylcarbonyl)thieno[2,3-b]pyridine-5-carboxamide
Smiles: COc1ccc(cc1OC)c1c(C(=O)Nc2ccccc2)c(C)nc2c1c(N)c(s2)C(=O)c1ccccc1

STK538479
Synonyms: ethyl3-{[2-(2,6-dimethylmorpholin-4-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CC(C)OC(C1)C)C)cc(cc2)F

STK839600
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2,4-dimethylphenyl)amino]propan-2-ol
Smiles: Cc1ccc(c(c1)C)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK538481
Synonyms: N-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC(=C(C1c1ccncc1)C(=O)Nc1ccc(cc1)Cl)C

STK839601
Synonyms: prop-2-en-1-yl5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)c1ccc(cc1)OC

STK538483
Synonyms: 6-(butylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: CCCCSc1nc(C)c(c(c1C#N)c1ccc(cc1)Cl)C(=O)Nc1ccccc1

STK538485
Synonyms: methyl5-cyano-4-(4-methylphenyl)-2-oxo-6-(prop-2-en-1-ylsulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: C=CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccc(cc1)C

STK839604
Synonyms: N-benzyl-4-methyl-6-(piperidin-1-yl)pyrimidin-2-amine
Smiles: Cc1nc(NCc2ccccc2)nc(c1)N1CCCCC1

STK538487
Synonyms: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc3c(c2)cccc3)NC(=O)CC1c1ccc(cc1)C(C)C

STK538488
Synonyms: 2-(butylsulfanyl)-4-(2-chlorophenyl)-6-phenyl-1,4-dihydropyridine-3,5-dicarbonitrile
Smiles: CCCCSC1=C(C#N)C(C(=C(N1)c1ccccc1)C#N)c1ccccc1Cl

STK538490
Synonyms: 4-amino-6-methyl-5-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Smiles: N#Cc1c(C)n(c2c1ncnc2N)c1ccccc1

STK839605
Synonyms: 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC(=C(C1c1ccco1)C(=O)N)C

STK538491
Synonyms: 2-nitro-N'-(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)benzohydrazide
Smiles: [O-][N+](=O)c1ccccc1C(=O)NNC1=NC2(CCCC2)Cc2c1cccc2

STK538493
Synonyms: methyl6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=C(C1c1ccccc1Cl)C(=O)OC)C

STK839606
Synonyms: N-(4-chlorophenyl)-2-{[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1c1ccco1)CCCC2

STK538494
Synonyms: 4-{[(E)-3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1c(/N=C/c2cccc3c2OCCCO3)c(=O)n(n1C)c1ccccc1

STK839607
Synonyms: 6-(butylsulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Smiles: CCCCSC1=C(C#N)C(C(C(=O)N1)C#N)c1ccccc1OCC

STK538495
Synonyms: methyl6-[(2-chlorobenzyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCc1ccccc1Cl

STK839609
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1ccccc1C

STK839610
Synonyms: 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC(=O)CC1c1ccc(cc1Cl)Cl

STK839611
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1CC

STK839612
Synonyms: 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)NC2=C(C1c1ccccc1C)C(=O)CCC2

STK538502
Synonyms: methyl5-cyano-4-(4-methylphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SC

STK839613
Synonyms: 4-(2-chlorophenyl)-2-[(3-cyanopropyl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CCCCSC1=C(C#N)C(CC(=O)N1)c1ccccc1Cl

STK538508
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK839618
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)OCC

STK538511
Synonyms: 4-(diphenylphosphoryl)isovaline
Smiles: OC(=O)C(CCP(=O)(c1ccccc1)c1ccccc1)(N)C

STK839621
Synonyms: N~2~-benzyl-N~4~-cyclohexyl-6-methylpyrimidine-2,4-diamine
Smiles: Cc1cc(NC2CCCCC2)nc(n1)NCc1ccccc1

STK839622
Synonyms: prop-2-en-1-yl5-cyano-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1c(C)cc(cc1C)C

STK839624
Synonyms: 3-amino-N-(4-chlorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK538518
Synonyms: (2Z)-2-cyano-3-(dimethylamino)-N-[3-(morpholin-4-yl)propyl]but-2-enamide
Smiles: CN(/C(=C(\C(=O)NCCCN1CCOCC1)/C#N)/C)C

STK538523
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: COc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2cccc(c2)Cl)nc(c1C(=O)Nc1ccccc1)C

STK538524
Synonyms: 6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK839626
Synonyms: 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)C1COc2c(O1)cccc2

STK839627
Synonyms: methyl4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Cl)NC(=C(C1c1ccccc1Cl)C(=O)OC)C

STK538527
Synonyms: ethyl1-({(5E)-5-[4-(dimethylamino)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}methyl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CN1C(=S)S/C(=C/c2ccc(cc2)N(C)C)/C1=O

STK538528
Synonyms: methyl5-cyano-4-(2,4-dichlorophenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1Cl)Cl)C#N)SC

STK839632
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC(=O)CC1c1ccc(cc1)F

STK538533
Synonyms: benzyl4-(4-chlorophenyl)-5-cyano-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)Cl

STK839634
Synonyms: 2-methoxyethyl4-(2-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1C)C

STK538537
Synonyms: 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(c(c2)C)C)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1)C

STK839636
Synonyms: 4-(4-tert-butylphenoxy)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: Cc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)C(C)(C)C

STK839638
Synonyms: 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK839640
Synonyms: 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)C)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccccc1)C

STK839643
Synonyms: 2-{[3-cyano-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC2=C(C1c1cccs1)C(=O)CCC2

STK839644
Synonyms: methyl3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Smiles: COC(=O)c1sc2c(c1N)c(c1cccs1)c1c(n2)CCCC1

STK839646
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1c(C)cccc1C

STK839647
Synonyms: 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC(=C(C1c1ccco1)C(=O)N)C

STK538544
Synonyms: N-{[4-(heptyloxy)phenyl]carbonyl}alanine
Smiles: CCCCCCCOc1ccc(cc1)C(=O)NC(C(=O)O)C

STK839649
Synonyms: 6-(butylsulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Smiles: CCCCSC1=C(C#N)C(C(C(=O)N1)C#N)c1ccccc1OC

STK839651
Synonyms: 4-(2,3-dichlorophenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=O)N1)c1cccc(c1Cl)Cl

STK839652
Synonyms: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=O)CC1c1ccc(cc1)C(C)C

STK538548
Synonyms: 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(C)c(c(c1C#N)c1ccc(cc1)Cl)C(=O)Nc1ccccc1

STK839657
Synonyms: 3-amino-N-(4-ethoxyphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK538554
Synonyms: 2-oxo-4-phenyl-N'-[(E)-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene]pyrrolidine-3-carbohydrazide
Smiles: O=C(C1C(=O)NCC1c1ccccc1)N/N=C/c1ccc(o1)c1cccc(c1)C(F)(F)F

STK839658
Synonyms: prop-2-en-1-yl5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1nccs1

STK538555
Synonyms: 5-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]-2-methoxybenzoicacid
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)NCc1ccc2c(c1)OCO2

STK538556
Synonyms: 2-amino-6-(methylsulfanyl)-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SC)nc(c(c1c1cccs1)C#N)N

STK839661
Synonyms: 5-{[(3-fluorophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Smiles: Fc1cccc(c1)NC=C1C(=O)OC(OC1=O)(C)C

STK839662
Synonyms: 3-(5-bromofuran-2-yl)-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Smiles: Brc1ccc(o1)c1nnc2n1C(C)(C)Cc1c2cccc1

STK839663
Synonyms: 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1

STK839666
Synonyms: 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=O)CC1c1ccc(cc1)C

STK839667
Synonyms: 4-phenyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccccc1)C12CC3CC(C2)CC(C1)C3

STK538568
Synonyms: methyl6-(benzylsulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccccc1

STK538569
Synonyms: 3-(3-phenylpyridazino[3,4-b]quinoxalin-5(10H)-yl)propan-1-ol
Smiles: OCCCn1c2cc(nnc2[nH]c2c1cccc2)c1ccccc1

STK538572
Synonyms: ethyl5-fluoro-3-{(E)-[4-(4-fluorophenyl)piperazin-1-yl]diazenyl}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccc(cc1)F)cc(cc2)F

STK839671
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(cc1C)C

STK538576
Synonyms: 6-({2-[(3-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)Br)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK839672
Synonyms: 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2nccs2)NC(=C(C1c1ccc(o1)C)C(=O)Nc1ccccc1OC)C

STK538578
Synonyms: 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: COc1ccc2c(c1)sc(c2Cl)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(cc1)F

STK538579
Synonyms: ethyl6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCc1ccc(cc1)Cl

STK538580
Synonyms: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2)nc(c(c1c1ccc(c(c1)OC)OC)C(=O)Nc1ccccc1)C

STK538582
Synonyms: benzyl6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK839675
Synonyms: 2,2-dimethyl-5-{[(2,4,6-trimethylphenyl)amino]methylidene}-1,3-dioxane-4,6-dione
Smiles: Cc1cc(C)c(c(c1)C)NC=C1C(=O)OC(OC1=O)(C)C

STK839676
Synonyms: (5E)-2-(4-acetylpiperazin-1-yl)-5-[4-(benzyloxy)benzylidene]-1,3-thiazol-4(5H)-one
Smiles: CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccccc2)/S1

STK839677
Synonyms: benzyl4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

STK839678
Synonyms: 3-amino-4-(furan-2-yl)-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK538583
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nc2c(c1c1ccco1)CCCC2

STK839679
Synonyms: 3-{[(2-fluoro-5-nitrophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1cc(ccc1F)[N+](=O)[O-]

STK538586
Synonyms: methyl6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCc1ccc(cc1)Cl

STK839682
Synonyms: 2-methoxyethyl4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)C

STK538587
Synonyms: [4-(trifluoromethyl)phenyl][(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1ccc(cc1)C(F)(F)F

STK538588
Synonyms: 3-butyl-4,8-dichloro-2-methylquinoline
Smiles: CCCCc1c(C)nc2c(c1Cl)cccc2Cl

STK839683
Synonyms: ethyl(2Z)-(hydroxyimino)(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)ethanoate
Smiles: CCOC(=O)/C(=N\O)/C1=NC2(CCCC2)Cc2c1cccc2

STK538592
Synonyms: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole
Smiles: Fc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cc(Cl)ccc1C

STK538594
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)C)C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CCC2

STK538595
Synonyms: butyl{[3-cyano-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C(CC(=O)N1)c1cccc(c1Cl)Cl)C#N

STK839685
Synonyms: N~2~-benzyl-N~4~-butyl-6-methylpyrimidine-2,4-diamine
Smiles: CCCCNc1cc(C)nc(n1)NCc1ccccc1

STK839686
Synonyms: ethyl2-({[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C

STK538596
Synonyms: methyl4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-{[(diphenylmethyl)carbamoyl]amino}-5-oxopentanoate
Smiles: COC(=O)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)NC(=O)NC(c1ccccc1)c1ccccc1

STK538597
Synonyms: 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1

STK839688
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1CC

STK839689
Synonyms: butyl{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccccc1F

STK839690
Synonyms: N~2~-benzyl-N~4~-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
Smiles: Clc1ccc(cc1)Nc1cc(C)nc(n1)NCc1ccccc1

STK538603
Synonyms: [2-(diphenylphosphoryl)ethyl](2-phenylethyl)phosphinicacid
Smiles: OP(=O)(CCP(=O)(c1ccccc1)c1ccccc1)CCc1ccccc1

STK839692
Synonyms: [3-amino-4-(furan-2-yl)-6-phenylthieno[2,3-b]pyridin-2-yl](4-fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccco1

STK839693
Synonyms: ethyl(2E)-(hydroxyimino)(3,3,6,7-tetramethyl-3,4-dihydroisoquinolin-1-yl)ethanoate
Smiles: CCOC(=O)/C(=N/O)/C1=NC(C)(C)Cc2c1cc(C)c(c2)C

STK839696
Synonyms: propyl{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccccc1F

STK839697
Synonyms: 3-{[(3-methoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: COc1cccc(c1)NC=C1C(=O)OC2(OC1=O)CCCCC2

STK839698
Synonyms: methyl4-(2-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1C)C

STK839700
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1c1ccco1)CCCC2

STK839702
Synonyms: 6-({2-[(4-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Smiles: CCCCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)N)c1ccco1

STK839703
Synonyms: (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)hydrazinecarboxamide
Smiles: NC(=O)N/N=C/1\NC(C)(C)Cc2c1cccc2

STK839704
Synonyms: ethyl5-cyano-4-(2-methylphenyl)-2-oxo-6-(prop-2-en-1-ylsulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: C=CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OCC)c1ccccc1C

STK538616
Synonyms: N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-1-methyl-1H-indole-3-carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1cn(c2c1cccc2)C)/C

STK839708
Synonyms: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide
Smiles: N#Cc1c(NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc2c1CCCC2

STK538618
Synonyms: 2,2'-[(2-butoxy-5-methylbenzyl)imino]diethanol
Smiles: CCCCOc1ccc(cc1CN(CCO)CCO)C

STK839710
Synonyms: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CN1CCN(CC1)C(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O

STK538620
Synonyms: 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C#N)c(SCC(=O)Nc2cccc(c2)Cl)nc(c1C(=O)Nc1ccccc1)C

STK538621
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK538622
Synonyms: 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(C)c(c(c1C#N)c1ccc(cc1)Cl)C(=O)Nc1ccccc1C

STK538625
Synonyms: ethyl4-(2-chlorophenyl)-6-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-propyl-1,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(CCC)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccc(cc1)Cl

STK839713
Synonyms: 2-(4-oxo-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)C/C=C/c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK839714
Synonyms: 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=O)CC1c1ccc(cc1)F

STK538628
Synonyms: 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)CC)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1)C

STK839715
Synonyms: 4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccccc1C1C(=C(SC)NC2=C1C(=O)CCC2)C#N

STK839717
Synonyms: prop-2-en-1-yl5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(cc1)C

STK538634
Synonyms: N-(3-acetylphenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2)C(=O)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK839721
Synonyms: 4-(1,3-benzodioxol-5-yl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

STK538635
Synonyms: (5-methyl-3-phenyl-1,2-oxazol-4-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Cc1onc(c1C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C)c1ccccc1

STK538636
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CCC2

STK839722
Synonyms: N~2~-benzyl-N~4~-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
Smiles: COc1ccc(cc1)Nc1cc(C)nc(n1)NCc1ccccc1

STK538637
Synonyms: 1-methyl-4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: Cc1nnc2n1c1ccccc1nc2N1CCCCC1

STK839724
Synonyms: prop-2-en-1-yl6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(cc1)C(=O)C

STK538639
Synonyms: 2-methoxyethyl6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cccc(c1C)Cl

STK839725
Synonyms: 3-{[(3,4-difluorophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(c(c1)F)F

STK538641
Synonyms: 3-butyl-2,8-dimethylquinoline-4-thiol
Smiles: CCCCc1c(C)nc2c(c1S)cccc2C

STK538642
Synonyms: 2-(diethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: CCN(CC(=O)c1c[nH]c2c1cc(OC)cc2)CC

STK839726
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SC)NC(=O)CC1c1ccc2c(c1)OCO2

STK538644
Synonyms: 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)CC)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK839727
Synonyms: 3-amino-2-[(4-chlorophenyl)carbonyl]-7,8-dihydrothieno[2,3-b]quinolin-5(6H)-one
Smiles: Clc1ccc(cc1)C(=O)c1sc2c(c1N)cc1c(n2)CCCC1=O

STK839728
Synonyms: 4-{[(2,4-dioxo-1,5-dioxaspiro[5.5]undec-3-ylidene)methyl]amino}benzenesulfonamide
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc(cc1)S(=O)(=O)N

STK839729
Synonyms: 3-amino-2-[(4-fluorophenyl)carbonyl]-7,7-dimethyl-7,8-dihydrothieno[2,3-b]quinolin-5(6H)-one
Smiles: Fc1ccc(cc1)C(=O)c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C

STK538645
Synonyms: methyl5-cyano-6-(methylsulfanyl)-2-oxo-4-phenyl-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1)C#N)SC

STK839730
Synonyms: prop-2-en-1-yl5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cc(C)ccc1C

STK839731
Synonyms: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)c1ccccc1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK538647
Synonyms: ethyl(2E)-3-{4-[bis(2-hydroxyethyl)amino]-2-chloro-6-methylpyrimidin-5-yl}prop-2-enoate
Smiles: OCCN(c1nc(Cl)nc(c1/C=C/C(=O)OCC)C)CCO

STK538648
Synonyms: prop-2-en-1-yl6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1cc(OC)c(cc1OC)Cl

STK538653
Synonyms: ethyl3-({2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cc(Cl)ccc1C)C)cc(cc2)F

STK538655
Synonyms: 4-(4-methylpiperazin-1-yl)-2-(3-nitrophenyl)quinazoline
Smiles: CN1CCN(CC1)c1nc(nc2c1cccc2)c1cccc(c1)[N+](=O)[O-]

STK839733
Synonyms: prop-2-en-1-yl5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1nccs1

STK538657
Synonyms: 4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccccc2C)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK538658
Synonyms: 3-amino-7,7-dimethyl-N-(naphthalen-2-yl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CC(CC1=O)(C)C)Nc1ccc2c(c1)cccc2

STK839734
Synonyms: 3-{[(2,4-difluorophenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: Fc1ccc(c(c1)F)NC=C1C(=O)OC2(OC1=O)CCCCC2

STK538659
Synonyms: methyl5-cyano-4-(4-methylphenyl)-6-{[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)Nc1ccc2c(c1)cccc2

STK538660
Synonyms: 5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)CC)nc(c(c1c1ccc(cc1)OC)C(=O)Nc1ccccc1)C

STK538663
Synonyms: 2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

STK538665
Synonyms: 5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccc(o1)C

STK538666
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-[(3-cyanopropyl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CCCCSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

STK839738
Synonyms: ethyl4-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK538668
Synonyms: 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c(c1c1ccc(cc1)Cl)C(=O)Nc1ccccc1C)C

STK538669
Synonyms: 6-[9-bromo-2-(furan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccco1)Br

STK538671
Synonyms: N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)c1cc(C)nc2c1cccc2)C

STK538674
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)Cn1nnc(n1)N

STK538682
Synonyms: 1-amino-N-(4-chlorophenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK538685
Synonyms: N-(4-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C(=C(C1c1ccccc1)C(=O)c1ccc(cc1)C)O

STK538686
Synonyms: 4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)C

STK538692
Synonyms: 4-(4-methoxyphenyl)-1-(methylsulfanyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CC(OC3)C(C)C

STK538702
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1cccc(c1)O

STK538708
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1cn(nc1C)C

STK839745
Synonyms: ethyl6-bromo-5-[(3-fluorobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)F)c(c2)Br)c1ccccc1

STK538712
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-bromophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)Br

STK538714
Synonyms: N'-[(E)-(3-chlorophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cccc(c1)Cl

STK538718
Synonyms: 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)F)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C

STK538719
Synonyms: 4-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C/c2cccnc2)/C1=O

STK839746
Synonyms: 4-(4-bromophenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: O=C1CSC(c2c(N1)n(nc2C)c1ccccc1)c1ccc(cc1)Br

STK538720
Synonyms: (2E)-2-(4-hydroxy-3-methoxybenzylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: COc1cc(/C=N/NC(=O)NC23CC4CC(C3)CC(C2)C4)ccc1O

STK538723
Synonyms: 5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)nc[nH]c3=O)C

STK538728
Synonyms: ethyl2-hydroxy-4-methyl-5-phenyl-2,5-dihydro-1,2-oxaphosphole-5-carboxylate2-oxide
Smiles: CCOC(=O)C1(OP(=O)(C=C1C)O)c1ccccc1

STK538738
Synonyms: 3,6-diamino-5-cyano-N-(4-methoxybenzyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK538739
Synonyms: 5-(3,4-dimethoxyphenyl)-2-{[(4-methoxyphenyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: COc1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1ccc(c(c1)OC)OC

STK538741
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1nnc(n1)N)C

STK538742
Synonyms: N'-[(1Z)-1-(4-bromophenyl)ethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: C/C(=N/NC(=O)Cn1ncnc1)/c1ccc(cc1)Br

STK839760
Synonyms: ethyl2-tert-butyl-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC=C(C)C)ccc2oc1C(C)(C)C

STK839761
Synonyms: 9-(4-ethylphenyl)-7-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCc1ccc(cc1)N1CC(O)Cn2c1nc1c2c(=O)[nH]c(=O)n1C

STK538746
Synonyms: 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)-1H-imidazol-5-amine
Smiles: Cn1cnc(c1NCc1ccccn1)[N+](=O)[O-]

STK538751
Synonyms: ethyl2-tert-butyl-5-[2-(4-chlorophenyl)-2-oxoethoxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)c3ccc(cc3)Cl)ccc2oc1C(C)(C)C

STK839765
Synonyms: 3-bromo-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccc(cc1)c1sc2c(n1)cc(cc2)C

STK538763
Synonyms: 3-(4-{[5-(2,4-dichlorophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1ccc(cc1Cl)Cl

STK538766
Synonyms: {[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(SC(c2ccccc2)C(=O)O)nc2c(c1c1cccs1)CCCC2

STK839776
Synonyms: 3-methoxy-N-[(1-phenylcyclopentyl)methyl]-4-propoxybenzamide
Smiles: CCCOc1ccc(cc1OC)C(=O)NCC1(CCCC1)c1ccccc1

STK839777
Synonyms: 2-methoxyethyl6-bromo-5-[(3-chlorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)Cl)c(c2)Br

STK538773
Synonyms: N-[4-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2

STK839778
Synonyms: propan-2-yl5-[(2-chloro-4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)cc2)C

STK538775
Synonyms: N-(2-bromo-4-methylphenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)acetamide
Smiles: Cc1ccc(c(c1)Br)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK839782
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(2-chloro-6-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3c(F)cccc3Cl)c(cc2oc1C(C)(C)C)Br

STK538791
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(2Z,3E)-4-phenylbut-3-en-2-ylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(\C=C\c1ccccc1)/C

STK538792
Synonyms: ethyl5-[(2,2-dimethylpropanoyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)C(C)(C)C)c1ccc(cc1)OC

STK839784
Synonyms: ethyl5-[(4-fluorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)F)cc2)c1ccc(cc1)OC

STK538795
Synonyms: 2-[(1-{[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK839787
Synonyms: morpholin-4-yl[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methanethione
Smiles: S=C(c1cn(c2c1cccc2)Cc1cccc2c1cccc2)N1CCOCC1

STK839788
Synonyms: ethyl5-[(2,5-dimethylbenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cc(C)ccc1C)cc2)c1ccc(cc1)OC

STK538798
Synonyms: 1-cyclopropyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: Fc1cc2c(cc1N1CCN(CC1)C(=O)c1ccco1)n(cc(c2=O)C(=O)O)C1CC1

STK839789
Synonyms: N-(3-chlorophenyl)-6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3

STK538803
Synonyms: (2Z)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
Smiles: N#C/C(=C/N(C)C)/N1CCCC1=O

STK538805
Synonyms: 3-[3-hydroxy-5-(4-methylphenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(c2ccc(cc2)C)C(=C(C1=O)O)C(=O)c1ccccc1

STK538806
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK538809
Synonyms: N'-[(E)-(2-fluorophenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1ccccc1F

STK538810
Synonyms: 4,6-dimethyl-5-(piperidin-1-ylcarbonyl)-2H-pyran-2-one
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N1CCCCC1

STK538818
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1O

STK538822
Synonyms: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c(OC)cc(cc1OC)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1=O

STK538823
Synonyms: 2-({[(4-chlorophenyl)carbonyl]carbamothioyl}amino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Smiles: CCN1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccc(cc1)Cl

STK538826
Synonyms: methyl5-bromo-3-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C(F)(F)F)cc(cc2)Br

STK538828
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)Cn1nnnc1N

STK839805
Synonyms: 3-bromo-9-[2-(ethenyloxy)ethyl]-9H-carbazole
Smiles: C=COCCn1c2ccc(cc2c2c1cccc2)Br

STK538834
Synonyms: ethyl5-{[(4-fluorophenyl)carbonyl]oxy}-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)F)c1ccc(cc1)OC

STK839808
Synonyms: ethyl5-(2-{2-[(4-fluorophenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)c1ccc(cc1)F)cc2

STK839810
Synonyms: (3-chloro-6-methoxy-1-benzothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1ccc2c(c1)sc(c2Cl)C(=O)N1CCc2c(C1)cccc2

STK839811
Synonyms: 4-fluoro-N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)NNC(=O)c1cccnc1

STK839813
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C

STK538843
Synonyms: methyl3-{[(prop-2-en-1-yloxy)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: C=CCOC(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STK839814
Synonyms: 3-[(4-bromophenyl)carbonyl]-4-hydroxy-5H-spiro[furan-2,2'-indene]-1',3',5-trione
Smiles: Brc1ccc(cc1)C(=O)C1=C(O)C(=O)OC21C(=O)c1c(C2=O)cccc1

STK538851
Synonyms: 3,3-dimethyl-8-(2-methylpropyl)-6-{[2-(morpholin-4-yl)ethyl]amino}-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(NCCN2CCOCC2)nc(c2c1CC(C)(C)OC2)CC(C)C

STK538855
Synonyms: (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)C)C=Cc2c1cccc2)[N+](=O)[O-]

STK538857
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-(pyridin-2-ylmethylidene)hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1ccccn1

STK538860
Synonyms: methyl4-amino-1-heptyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
Smiles: CCCCCCCn1c2ccccc2c(c(c1=O)C(=O)OC)N

STK839822
Synonyms: 2-(2,8-dimethyl-4-oxoquinolin-1(4H)-yl)-N-(4-methylphenyl)acetamide
Smiles: O=C(Cn1c(C)cc(=O)c2c1c(C)ccc2)Nc1ccc(cc1)C

STK839824
Synonyms: (2E)-2-(4-hydroxybenzylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccc(cc1)O

STK538867
Synonyms: ethyl6-bromo-5-[2-oxo-2-(propan-2-yloxy)ethoxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OC(C)C)c(c2)Br)c1ccccc1

STK839825
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-4H-chromen-7-ylmorpholine-4-carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1C)occ(c2=O)c1nc2c(s1)cccc2

STK839826
Synonyms: ethyl6-methyl-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc(c1)[N+](=O)[O-])cc(cc2)C

STK839829
Synonyms: 3-(4-{[5-(2-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK538880
Synonyms: 2,3-dimethoxy-6-{2-[4-(phenylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)Sc1ccccc1

STK538882
Synonyms: 3,6-diamino-N-{2-[(4-chlorobenzyl)sulfanyl]phenyl}-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccccc1SCc1ccc(cc1)Cl

STK538883
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1ccc(=O)[nH]n1

STK538884
Synonyms: N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
Smiles: O=C(N1CCOCC1)NCC(F)(F)F

STK839836
Synonyms: 3-amino-5,7-dimethyl-4a,5,7,7a-tetrahydroimidazo[4,5-e][1,3,4]thiadiazin-6(1H)-one
Smiles: NC1=NNC2C(S1)N(C)C(=O)N2C

STK538887
Synonyms: methyl3-{[(2,6-dimethylmorpholin-4-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cccc2

STK538888
Synonyms: tetraethyl1,7-bis(acetylamino)heptane-1,1,7,7-tetracarboxylate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

STK839844
Synonyms: ethyl2-tert-butyl-5-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)c3ccc(cc3)F)ccc2oc1C(C)(C)C

STK538896
Synonyms: 9-[(4-ethyl-4-methyl-1,3-dioxolan-2-yl)methyl]-9H-carbazole
Smiles: CCC1(C)COC(O1)Cn1c2ccccc2c2c1cccc2

STK839845
Synonyms: ethylN-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc(C)cc(c1C#N)C

STK538897
Synonyms: 6-[2-(5-bromothiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(s1)Br

STK839846
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c(C)[nH]c2c1ccc(c2)C)C

STK538899
Synonyms: 9-methyl-2-[(naphthalen-1-yloxy)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1cccc2c1cccc2

STK839848
Synonyms: ethyl6-bromo-5-{[(2E)-4-ethoxy-4-oxobut-2-en-1-yl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)/C=C/COc1cc2c(cc1Br)oc(c2C(=O)OCC)C

STK538900
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1)OC(F)(F)F

STK839849
Synonyms: 2-methoxyethyl2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK538904
Synonyms: 6-tert-butyl-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1cccc(c1)C(=O)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C

STK839853
Synonyms: ethyl5-(2-methoxy-2-oxoethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OC)cc2)c1ccc(cc1)OC

STK839855
Synonyms: 4-acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C1N(c2nccs2)C(=O)C(=C1C(=O)C)O

STK839857
Synonyms: N-{[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl}benzamide
Smiles: COc1cc(ccc1OC)C1(CCCCC1)CNC(=O)c1ccccc1

STK538915
Synonyms: (6aS,6bR,9aS,10R)-8-(4-methoxyphenyl)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC)C=Cc1c2cccc1

STK538916
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)cc(c1OC)OC

STK839859
Synonyms: 5-ethoxy-2-phenyl-1-benzofuran-3-carboxamide
Smiles: CCOc1ccc2c(c1)c(C(=O)N)c(o2)c1ccccc1

STK839860
Synonyms: 2-(2-methyl-4-oxoquinolin-1(4H)-yl)-N-(3-methylphenyl)acetamide
Smiles: Cc1cccc(c1)NC(=O)Cn1c(C)cc(=O)c2c1cccc2

STK538921
Synonyms: 4-(morpholin-4-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Smiles: O=c1[nH]cnc2c1sc1c2c2CCCc2c(n1)N1CCOCC1

STK538924
Synonyms: 2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)N)C

STK839863
Synonyms: 4,6-dimethyl-2-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}pyrimidine
Smiles: C/C(=N\Nc1nc(C)cc(n1)C)/c1ccc(cc1)[N+](=O)[O-]

STK538928
Synonyms: ethyl5-(2-{2-[(4-methoxyphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)c1ccc(cc1)OC)cc2

STK538929
Synonyms: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)c1cc(Cl)ccc1C)O

STK538931
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)C1CCCO1)c(c2)F

STK538935
Synonyms: 4-nitrobenzenesulfonylchloride
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl

STK839868
Synonyms: N-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1ccc(=O)[nH]n1

STK839869
Synonyms: 9-methyl-3-(2,2,2-trifluoroethyl)-9H-carbazole
Smiles: Cn1c2ccc(cc2c2c1cccc2)CC(F)(F)F

STK538941
Synonyms: {[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C

STK839871
Synonyms: 2-(2-{4-[(2E)-3-(thiophen-2-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1cccs1

STK538947
Synonyms: ethyl5-(2-{2-[(3,4-dimethoxyphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)NNC(=O)c1ccc(c(c1)OC)OC)cc2

STK839872
Synonyms: 3-ethyl6-methyl4-[(2,4-dimethylphenyl)amino]quinoline-3,6-dicarboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1C)C)cc(cc2)C(=O)OC

STK839874
Synonyms: (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)cc1c(n2)CCN(C1)C

STK538952
Synonyms: 1-(ethylsulfanyl)-4-(4-methoxyphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CC(OC3)C(C)C

STK538954
Synonyms: 2-(4-nitrophenoxy)-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide
Smiles: O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)COc1ccc(cc1)[N+](=O)[O-]

STK538967
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)C

STK538969
Synonyms: 2-({[(2E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Smiles: O=C(NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccc(cc1)C

STK839881
Synonyms: N-cyclohexyl-2-(4-methoxyphenyl)quinazolin-4-amine
Smiles: COc1ccc(cc1)c1nc(NC2CCCCC2)c2c(n1)cccc2

STK538973
Synonyms: 2-(pyridin-3-yl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cn1)c1nn2c(n1)c1c(nc2)sc2c1CCC2

STK538974
Synonyms: 4-nitro-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK538977
Synonyms: 2-[(1-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbonyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK538978
Synonyms: 1-ethyl-1H-perimidine
Smiles: CCn1cnc2c3c1cccc3ccc2

STK839886
Synonyms: 7-ethyl-1,3-dimethyl-8-{(2Z)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(N/N=C(\C=C\c2ccccc2)/C)nc2c1c(=O)n(c(=O)n2C)C

STK538986
Synonyms: ethyl2-tert-butyl-5-[(4-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)[N+](=O)[O-])ccc2oc1C(C)(C)C

STK538988
Synonyms: ethyl(3aS,4R,9aS,9bR)-4-[(4-bromophenyl)carbonyl]-2-(naphthalen-1-yl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carboxylate
Smiles: CCOC(=O)C1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc2c1cccc2)C(=O)c1ccc(cc1)Br

STK538994
Synonyms: N-(2-cyanophenyl)-3-oxobutanamide
Smiles: N#Cc1ccccc1NC(=O)CC(=O)C

STK839897
Synonyms: (2E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)c1ccc(cc1)O

STK839898
Synonyms: 2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)oxy]phenol
Smiles: Oc1cc(OCc2ccc(cc2)[N+](=O)[O-])ccc1c1n[nH]cc1c1nc2c(s1)cccc2

STK839899
Synonyms: methyl2-({[2-amino-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

STK539008
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C)CC

STK539012
Synonyms: 2-(pyridin-4-yl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: n1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCC2

STK539013
Synonyms: N'-[(1E)-1-phenylpropylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: CC/C(=N\NC(=O)Cn1cncn1)/c1ccccc1

STK539014
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)C

STK839906
Synonyms: N-(3-acetylphenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
Smiles: O=C(C(C(OC(F)(F)F)(F)F)(F)F)Nc1cccc(c1)C(=O)C

STK539016
Synonyms: 7-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)c(c2)F

STK539019
Synonyms: (2E)-3-(3-{[(2,4,6-trimethylphenyl)sulfonyl]amino}phenyl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)NS(=O)(=O)c1c(C)cc(cc1C)C

STK539020
Synonyms: 2,3-dimethoxy-6-[2-(4-phenoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)Oc1ccccc1

STK839907
Synonyms: ethyl{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK839908
Synonyms: 2-[3-(1H-imidazol-1-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1CCCn1cncc1)ccc3

STK839909
Synonyms: 2-(2-{4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Fc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK839910
Synonyms: N-{[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccco1

STK539031
Synonyms: 4,6-dimethyl-2-{(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl}pyrimidine
Smiles: Cc1nc(N/N=C/c2ccc(s2)[N+](=O)[O-])nc(c1)C

STK539032
Synonyms: 2-{2-methoxy-4-[(E)-(2-{[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2)n2cnnn2)ccc1OCC(=O)N

STK539036
Synonyms: ethyl6-bromo-5-{[(2-bromophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1Br)c(c2)Br

STK539047
Synonyms: [(7-ethyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]aceticacid
Smiles: CCn1c(SCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C

STK539053
Synonyms: 7-(4-dodecanoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK839922
Synonyms: 3-[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
Smiles: N#CCCn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK539062
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: Brc1cc(/C=N/NC(=O)Cn2nnc(n2)N)c(c(c1)Br)O

STK539065
Synonyms: 1,3-dimethyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(N/N=C\2/C(=O)Nc3c2cccc3)nc2c1c(=O)n(c(=O)n2C)C

STK839926
Synonyms: 2-(3-nitrophenyl)-2-oxoethyl(2E)-3-(furan-2-yl)prop-2-enoate
Smiles: O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])/C=C/c1ccco1

STK539077
Synonyms: ethyl1,2-dimethyl-5-{[2-(trifluoromethyl)benzyl]oxy}-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCc1ccccc1C(F)(F)F)cc2)C

STK539080
Synonyms: 4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoicacid
Smiles: N#Cc1c(C)cc(nc1SCc1ccc(cc1)C(=O)O)C

STK839927
Synonyms: ethyl2-(4-methoxyphenyl)-5-[(2-methylbenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1C)cc2)c1ccc(cc1)OC

STK839928
Synonyms: 2-(2-{4-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Clc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK839929
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(4-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)F)c(cc2oc1C(C)(C)C)Br

STK539087
Synonyms: 1,3-diethyl-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=O)C(=C/C=C/c2ccco2)C(=O)N(C1=S)CC

STK839933
Synonyms: [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
Smiles: C=CCNc1nc(c(s1)C(=O)c1ccc(s1)Cl)N

STK539092
Synonyms: ethyl2-tert-butyl-5-{[(4-fluorophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1ccc(cc1)F

STK539093
Synonyms: 2-hydrazinyl-3-(4-methoxyphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: NNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)C(C)C

STK539094
Synonyms: [3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl](hydroxymethyl)phosphinicacid
Smiles: OCP(=O)(CCCN1C(=O)c2c(C1=O)cccc2)O

STK539095
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1cccc(n1)C

STK539096
Synonyms: 6-[9-bromo-2-(2-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1OC)Br

STK839935
Synonyms: 2-(8-methoxy-2-methyl-4-oxoquinolin-1(4H)-yl)-N-phenylacetamide
Smiles: COc1cccc2c1n(CC(=O)Nc1ccccc1)c(C)cc2=O

STK539104
Synonyms: methyl5-chloro-3-{[2-(3,3-dimethylpiperidin-1-yl)propanoyl](methyl)amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1N(C(=O)C(N1CCCC(C1)(C)C)C)C)cc(cc2)Cl

STK539109
Synonyms: 3a-{4-[oxo(phenyl)acetyl]phenyl}-6a-phenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: O=C1NC2(C(N1)(NC(=O)N2)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1

STK539111
Synonyms: 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cccs1

STK839939
Synonyms: ethyl2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2

STK539113
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK539114
Synonyms: 1-ethyl-6-fluoro-7-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)C(C)C)c(c2)F

STK839942
Synonyms: 2-methoxyethyl6-bromo-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)OC)c(c2)Br

STK539123
Synonyms: 7-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)c(c2)F

STK539124
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK539126
Synonyms: 6-[2-(4-hydroxy-3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(c(c1)OC)O

STK539130
Synonyms: 3-methyl-7-(2-phenylethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCc1ccccc1)c(n2)SCCN1CCCCC1)C

STK539137
Synonyms: 1-(4-hydroxy-3-methylphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-one
Smiles: CC(C(=O)c1ccc(c(c1)C)O)Sc1nnnn1c1ccccc1

STK839947
Synonyms: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CC(COc1ccc(cc1)OC)O)c(=O)n(c(=O)n2C)C

STK539142
Synonyms: methyl5-methyl-3-{[(prop-2-en-1-yloxy)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: C=CCOC(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK839949
Synonyms: 8-(dimethylamino)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N(C)C

STK539144
Synonyms: (2E)-3-(naphthalen-1-yl)-1-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one
Smiles: C=CCSc1nc2c(n1C(=O)/C=C/c1cccc3c1cccc3)cccc2

STK539145
Synonyms: 2'-amino-1-ethyl-7',9'-dimethylspiro[piperidine-4,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile
Smiles: CCN1CCC2(CC1)C(=C(N)Oc1c2sc2c1c(C)cc(n2)C)C#N

STK839952
Synonyms: N'-{(E)-[4-(diethylamino)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)CSc1ccccn1)CC

STK539148
Synonyms: 3-amino-6-(3-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1scc(n1)C

STK539159
Synonyms: ethyl5-[2-oxo-2-(prop-2-en-1-yloxy)ethoxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: C=CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(o2)c1ccccc1

STK539161
Synonyms: 3-amino-N-(2-methoxyphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccccc1OC

STK539164
Synonyms: {[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}(phenyl)aceticacid
Smiles: COc1ccc(cc1)c1cc(nc(c1C#N)SC(c1ccccc1)C(=O)O)c1cccs1

STK839955
Synonyms: 4-hydroxy-1-methyl-N-(4-methylbenzyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK539166
Synonyms: N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc2c(c1)OCO2

STK839957
Synonyms: 2-({1-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1ccc2c(c1)OCO2

STK539169
Synonyms: 2-(4-cyclohexylpiperazin-1-yl)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)C1CCCCC1)C

STK539171
Synonyms: 6-amino-5-[3-(diethylamino)propyl]-5H-pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
Smiles: CCN(CCCn1c(N)c(c2c1nc(C#N)c(n2)C#N)C#N)CC

STK539173
Synonyms: N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
Smiles: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N(C1CCCCC1)C1CCCCC1

STK839959
Synonyms: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1)O

STK539177
Synonyms: methyl3-{[(2-fluorophenyl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)C

STK839961
Synonyms: 7-hexyl-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1

STK539184
Synonyms: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(Z)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C\c1ccc(cc1)[N+](=O)[O-]

STK539186
Synonyms: methyl5-chloro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1c(NC(=O)OCC=C)c2c([nH]1)ccc(c2)Cl

STK839965
Synonyms: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1N(CCCn2cncc2)C(=O)C(=C1C(=O)C)O

STK539190
Synonyms: 6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylicacid
Smiles: Brc1cc2oc(c(c2cc1O)C(=O)O)C(C)(C)C

STK539195
Synonyms: methyl5-fluoro-3-{[(2-fluorophenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1ccccc1F)cc(cc2)F

STK839971
Synonyms: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCC1)O

STK539200
Synonyms: 3-bromo-N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1

STK539201
Synonyms: 2-phenyl-N'-[(E)-thiophen-2-ylmethylidene]quinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1cccs1

STK539202
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)O)OC)/c1scc(n1)c1ccc2c(c1)OCO2

STK539203
Synonyms: 6-[9-bromo-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK839974
Synonyms: 8-(butan-2-ylamino)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C)C

STK839975
Synonyms: 2-[(3,4-dimethylphenyl)(phenyl)methylidene]-1H-indene-1,3(2H)-dione
Smiles: Cc1cc(ccc1C)/C(=C/1\C(=O)c2c(C1=O)cccc2)/c1ccccc1

STK539204
Synonyms: 2-{[4-chloro-6-(octylamino)-1,3,5-triazin-2-yl]amino}ethanol
Smiles: CCCCCCCCNc1nc(Cl)nc(n1)NCCO

STK839978
Synonyms: ethyl2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)cc2)C(C)(C)C

STK839980
Synonyms: ethyl3-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=S)NC(=O)c1cccs1

STK839981
Synonyms: ethyl5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)OC)cc2

STK539207
Synonyms: 3-amino-N-(4-fluorophenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc(cc1)F

STK539209
Synonyms: [(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]aceticacid
Smiles: N#Cc1cc(C)c(nc1SCC(=O)O)CC

STK539211
Synonyms: 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Smiles: N#Cc1c(SCC(=O)NC23CC4CC(C3)CC(C2)C4)nc(cc1c1cccs1)c1ccccc1

STK539214
Synonyms: 3-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)C(=O)O

STK539222
Synonyms: 2-cyclopropyl-N'-[(1E)-1-(4-methylphenyl)ethylidene]quinoline-4-carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)/C

STK539223
Synonyms: 1-amino-5-(propan-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylicacid
Smiles: CC(c1nc2sc(c(c2c2c1CCCC2)N)C(=O)O)C

STK539226
Synonyms: {[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(SC(c2ccccc2)C(=O)O)nc(cc1C(F)(F)F)c1cccs1

STK839988
Synonyms: methyl5-{[(2-bromophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1Br

STK839989
Synonyms: ethyl2-(4-methoxyphenyl)-5-[(thiophen-2-ylcarbonyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccs1)c1ccc(cc1)OC

STK839992
Synonyms: methyl6-bromo-2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])c(c2)Br

STK839993
Synonyms: ethyl2-tert-butyl-5-[(2,5-dimethylbenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3cc(C)ccc3C)ccc2oc1C(C)(C)C

STK539236
Synonyms: 3-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1cccc(c1O)OC

STK839994
Synonyms: 3-(4-{[5-(2,5-dichlorophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1cc(Cl)ccc1Cl

STK539243
Synonyms: 3-amino-N-(1,3-benzodioxol-5-yl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)Nc1ccc2c(c1)OCO2

STK539248
Synonyms: N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK539254
Synonyms: 8-(hexylamino)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCCCCCC)nc2c1c(=O)[nH]c(=O)n2C

STK539255
Synonyms: ethyl2-{[(4-methoxyphenyl)carbamoyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2ccc(cc2)OC)sc2c1CC(OC2)C(C)C

STK840000
Synonyms: 7-(2-chlorobenzyl)-8-[(2-methoxyethyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK539259
Synonyms: 2,5-bis[(dimethylamino)methyl]-1,6-diphenylhexane-1,6-dione
Smiles: CN(CC(C(=O)c1ccccc1)CCC(C(=O)c1ccccc1)CN(C)C)C

STK539276
Synonyms: 1,3-dimethyl-8-(morpholin-4-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCOCC1

STK840007
Synonyms: 2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(4-phenoxyphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)COc1ccc2c(c1)oc(=O)cc2C

STK539280
Synonyms: (8-hydroxynaphthalen-1-yl)(piperidin-1-yl)methanone
Smiles: O=C(c1cccc2c1c(O)ccc2)N1CCCCC1

STK539287
Synonyms: [3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl](2-phenylethyl)phosphinicacid
Smiles: O=C1N(CCCP(=O)(CCc2ccccc2)O)C(=O)c2c1cccc2

STK539289
Synonyms: methyl5-chloro-3-({2-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@@H]3C[C@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)Cl

STK539292
Synonyms: ([(2,4-dichlorophenyl)amino]{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1Cl)Cl)SCC(=O)c1ccc(cc1)C)C#N

STK539294
Synonyms: 3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1O)O

STK840014
Synonyms: propan-2-yl5-[(6-bromo-2-methoxynaphthalen-1-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COc1ccc2c(c1COc1ccc3c(c1)c(C(=O)OC(C)C)c(o3)C)ccc(c2)Br

STK539296
Synonyms: (8-hydroxynaphthalen-1-yl)(morpholin-4-yl)methanone
Smiles: O=C(c1cccc2c1c(O)ccc2)N1CCOCC1

STK840015
Synonyms: (2E)-2-cyano-3-(1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-1H-indol-3-yl)-N-methylprop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)NC

STK840017
Synonyms: 1,3-dimethyl-8-(methylamino)-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK539307
Synonyms: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK840018
Synonyms: (2Z)-3-amino-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-[(2-phenylethyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C(\NCCc1ccccc1)/N)/C=C/1\Nc2c(C1=O)cccc2

STK539311
Synonyms: 6-[2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)Cl

STK840021
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK539319
Synonyms: 6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: NNC(=O)c1ccc(=O)[nH]n1

STK840023
Synonyms: N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1ccc(=O)[nH]n1

STK840025
Synonyms: benzyl2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-1'H-spiro[chromene-4,4'-piperidine]-1'-carboxylate
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C(=O)OCc1ccccc1)C(=O)CCC2

STK539325
Synonyms: methyl6-bromo-5-[(3-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)Br)c(c2)Br

STK840026
Synonyms: 2-methoxyethyl6-bromo-5-[(4-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)Br)c(c2)Br

STK840029
Synonyms: 2-methoxyethyl5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)C(C)(C)C)cc2

STK539341
Synonyms: 4-acetyl-5-(4-chlorophenyl)-3-hydroxyfuran-2(5H)-one
Smiles: Clc1ccc(cc1)C1OC(=O)C(=C1C(=O)C)O

STK539346
Synonyms: ethyl6-bromo-5-{[(2E)-4-ethoxy-4-oxobut-2-en-1-yl]oxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OC/C=C/C(=O)OCC)c(c2)Br)c1ccccc1

STK840035
Synonyms: 7-methyl-4-(morpholin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c(ncn1)N1CCOCC1

STK539352
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK539355
Synonyms: ethyl6-bromo-2-tert-butyl-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)c3ccc(cc3)OC)c(cc2oc1C(C)(C)C)Br

STK840036
Synonyms: ethyl2-tert-butyl-5-[(2-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3F)ccc2oc1C(C)(C)C

STK840042
Synonyms: (2E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)NCc1ccco1

STK840044
Synonyms: ethyl6-bromo-5-{[(3,4-dimethoxyphenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(c(c1)OC)OC)c(c2)Br

STK539363
Synonyms: 8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d][1,2]thiazolo[5,4-b]pyridin-1-amine
Smiles: Nc1nsc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK539364
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccc(o1)C

STK539366
Synonyms: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)O

STK539372
Synonyms: 4-hydroxy-2-oxo-N-[2-(piperazin-1-yl)ethyl]-1-propyl-1,2-dihydroquinoline-3-carboxamide
Smiles: CCCn1c(=O)c(C(=O)NCCN2CCNCC2)c(c2c1cccc2)O

STK840048
Synonyms: 7-(2,3-dihydroxypropyl)-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1)O

STK539374
Synonyms: propan-2-yl{[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-2-yl]sulfanyl}acetate
Smiles: N#Cc1c(SCC(=O)OC(C)C)nc(c(c1c1cc(OC)c(c(c1)OC)OC)C#N)N

STK539375
Synonyms: 6-(9-bromo-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)Br

STK840050
Synonyms: 2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethanone
Smiles: O=C(c1ccccc1)CSc1nnc2n1c(C)nc1c2c2CCCCc2s1

STK840054
Synonyms: 3-methyl-7-pentyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(NCC=C)nc2c1c(=O)[nH]c(=O)n2C

STK539387
Synonyms: (2Z)-3-amino-3-(4-methylpiperazin-1-yl)-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: N#C/C(=C(\N1CCN(CC1)C)/N)/C=C/1\Nc2c(C1=O)cccc2

STK539391
Synonyms: ethyl5-[2-(benzyloxy)-2-oxoethoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OCc1ccccc1)cc2)c1ccc(cc1)OC

STK539395
Synonyms: 4-ethoxy-3-(4-nitrophenyl)-1-phenyl-1,4,5,6-tetrahydrofuro[3,2-e][1,2,4]diazaphosphinine4-oxide
Smiles: CCOP1(=O)C2=C(OCC2)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK840057
Synonyms: 2,6-dimethyl-3-(morpholin-4-ylmethyl)quinolin-4(1H)-one
Smiles: Cc1[nH]c2ccc(cc2c(=O)c1CN1CCOCC1)C

STK840058
Synonyms: 2-methoxyethyl6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)OCC)c(c2)Br

STK539401
Synonyms: 6-hydroxy-4-oxo-N-[2-(piperazin-1-yl)ethyl]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Smiles: O=C(c1c(O)c2cccc3c2n(c1=O)CC3)NCCN1CCNCC1

STK840060
Synonyms: 8-[(furan-2-ylmethyl)amino]-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C)C

STK539402
Synonyms: 6-[2-(4-fluorophenyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1cccc2c1OC(N1C2CC(=N1)c1ccc(cc1)F)c1ccc(c(c1C(=O)O)OC)OC

STK539405
Synonyms: 2,3-dimethoxy-6-[2-(naphthalen-1-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1cccc2c1cccc2

STK539407
Synonyms: 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Smiles: N#Cc1c(C)n(c2c1ncn(c2=O)Cc1ccccn1)c1ccccc1

STK840062
Synonyms: (5E)-2-(piperidin-1-yl)-5-[4-(propan-2-yloxy)benzylidene]-1,3-thiazol-4(5H)-one
Smiles: CC(Oc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCCCC1)C

STK539409
Synonyms: 2-methoxyethyl6-bromo-2-methyl-5-[2-oxo-2-(prop-2-en-1-yloxy)ethoxy]-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)OCC=C)c(c2)Br

STK539411
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-{(E)-[2-(benzyloxy)phenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1OCc1ccccc1

STK840063
Synonyms: ethyl2-tert-butyl-5-[(4-chlorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)Cl)ccc2oc1C(C)(C)C

STK840065
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(4-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])c(c2)Br)C(C)(C)C

STK539421
Synonyms: ethyl3-ethyl-4-[(phenylcarbonyl)amino]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCn1c(=S)sc(c1NC(=O)c1ccccc1)C(=O)OCC

STK840069
Synonyms: 7-[(4-methylphenyl)amino]-8H-naphtho[2,3-a]phenothiazine-8,13(14H)-dione
Smiles: Cc1ccc(cc1)Nc1cc2sc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK539428
Synonyms: 6-chloro-2-methyl-3-(morpholin-4-ylmethyl)quinolin-4-ol
Smiles: Clc1ccc2c(c1)c(O)c(c(n2)C)CN1CCOCC1

STK539436
Synonyms: 8-(ethylamino)-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C

STK539439
Synonyms: 2'-amino-7',9'-dimethyl-1-propylspiro[piperidine-4,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-3'-carbonitrile
Smiles: CCCN1CCC2(CC1)C(=C(N)Oc1c2sc2c1c(C)cc(n2)C)C#N

STK539440
Synonyms: 2-(4-methoxyphenyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCC2

STK840075
Synonyms: ethyl2-methyl-5-[(phenylcarbonyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1

STK840076
Synonyms: 2-methoxyethyl6-bromo-5-{[(4-fluorophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(cc1)F)c(c2)Br

STK539444
Synonyms: 3,6-diamino-5-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(CCNC(=O)c2sc3c(c2N)cc(c(n3)N)C#N)ccc1OC

STK840077
Synonyms: propan-2-yl5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C

STK539445
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)c1ccc(=O)[nH]n1

STK539449
Synonyms: N-[2,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-(4-fluorobenzyl)butanamide
Smiles: Fc1ccc(cc1)CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C1CC(=O)N(C1=O)c1nccs1

STK539453
Synonyms: methyl1-(1,3-benzodioxol-5-ylmethyl)-5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(Cc2ccc3c(c2)OCO3)c(=O)c(c1)Br

STK539454
Synonyms: N'-[(1Z)-1-phenylethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C(\c1ccccc1)/C

STK539455
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-methylphenyl)heptanamide
Smiles: O=C(Nc1ccc(cc1)C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK539457
Synonyms: ethyl6-bromo-5-[(3-nitrobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])c(c2)Br)c1ccccc1

STK840078
Synonyms: 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(pyridin-2-yl)-2H-chromen-2-one
Smiles: Fc1cccc(c1COc1ccc2c(c1)oc(=O)c(c2)c1ccccn1)Cl

STK539463
Synonyms: methyl2-{4-[(butylcarbamoyl)amino]phenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CCCCNC(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(=O)OC)O

STK539468
Synonyms: 2-amino-4-{[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(s2)Cl)nc(nc1SC)N

STK539471
Synonyms: 6-[2-(4-bromophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)Br

STK539473
Synonyms: methyl5-bromo-3-{[(prop-2-en-1-yloxy)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1c(NC(=O)OCC=C)c2c([nH]1)ccc(c2)Br

STK539480
Synonyms: [2-(benzylsulfanyl)-4-hydroxy-6-methylpyrimidin-5-yl]aceticacid
Smiles: OC(=O)Cc1c(C)nc(nc1O)SCc1ccccc1

STK539484
Synonyms: 8-ethyl-2-(4-{[(4-methoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

STK539487
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC=C(C)C)c(cc2oc1C(C)(C)C)Br

STK840089
Synonyms: (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK840091
Synonyms: ethyl5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1ccc2c(c1)c(C(=O)OCC)c(o2)C

STK539495
Synonyms: N'-[(E)-furan-2-ylmethylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccco1

STK539506
Synonyms: 2,3-dimethoxy-6-[2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1cccs1

STK840098
Synonyms: ethyl5-[(2,4-difluorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1F)F)cc2)c1ccc(cc1)OC

STK539516
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)COc1ccc(cc1)n1cnnn1

STK539517
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C)CC

STK840101
Synonyms: (2Z)-3-amino-3-(benzylamino)-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: N#C/C(=C(\NCc1ccccc1)/N)/C=C/1\Nc2c(C1=O)cccc2

STK840105
Synonyms: 7-ethyl-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK840106
Synonyms: 3-methyl-7-pentyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C

STK539526
Synonyms: N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK840108
Synonyms: 8-(diethylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)CC

STK539538
Synonyms: N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cn(nc1C)C

STK539540
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)C

STK840115
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1)O

STK840116
Synonyms: 3-methyl-7-(3-methylbutyl)-8-[(2-methylprop-2-en-1-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C)C

STK840118
Synonyms: 1,3-dimethyl-7-pentyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

STK539547
Synonyms: N-[cyclopentyl(phenyl)methyl]-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide
Smiles: O=C(NC(c1ccccc1)C1CCCC1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840119
Synonyms: ethyl6-bromo-5-{[4-(methoxycarbonyl)benzyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)C(=O)OC)c(c2)Br

STK539549
Synonyms: (2E)-3-[(3-nitrophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK539551
Synonyms: 2,3-dimethoxy-6-[2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(o1)C

STK840121
Synonyms: ethyl2-tert-butyl-5-(2-methoxy-2-oxoethoxy)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)OC)ccc2oc1C(C)(C)C

STK539560
Synonyms: 4-(furan-2-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Smiles: Nc1nc(nc(n1)c1ccco1)N1CCCCC1

STK840126
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-6-(methoxymethyl)pyrimidin-4(1H)-one
Smiles: COCc1cc(=O)nc([nH]1)Nc1nc2c(s1)cccc2

STK539563
Synonyms: (6aR,6bS,9aR,10S)-10-[(3,4-dimethoxyphenyl)carbonyl]-8-phenyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1OC)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)C=Cc1c2cccc1

STK840127
Synonyms: 1-ethyl-4-hydroxy-N-(4-methylbenzyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CCn1c(=O)c(C(=O)NCc2ccc(cc2)C)c(c2c1cccc2)O

STK840129
Synonyms: ethyl6-bromo-5-[(3-methoxybenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)OC)c(c2)Br

STK840132
Synonyms: 2-methoxyethyl6-bromo-5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC#N)c(c2)Br

STK539581
Synonyms: methyl4-{[3-cyano-4-phenyl-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccccc1)c1cccs1

STK840135
Synonyms: ethyl5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(cc2)OC(C(=O)OC)C)C

STK539585
Synonyms: methyl5,6-dimethoxy-3-{[(2-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCCC1C)cc(c(c2)OC)OC

STK539586
Synonyms: 2,3-dimethoxy-6-(2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

STK539587
Synonyms: (2E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol
Smiles: CN(C(/C=C/C(c1ccccc1)(c1ccccc1)O)(C)C)C

STK840139
Synonyms: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK539592
Synonyms: 6-[2-(biphenyl-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)c1ccccc1

STK539593
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)cc(c1O)Br

STK539601
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccco1

STK539603
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccccc1C

STK840141
Synonyms: 8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)O

STK539608
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STK539610
Synonyms: 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Smiles: N#Cc1c(SCC(=O)NC(c2ccccc2)C)nc(nc1SC)N

STK840143
Synonyms: (2E)-3-(2,6-dichlorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Smiles: O=C(c1ccc(cc1)O)/C=C/c1c(Cl)cccc1Cl

STK539613
Synonyms: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(pentafluorobenzyl)oxy]-2H-chromen-2-one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OCc1c(F)c(F)c(c(c1F)F)F

STK539617
Synonyms: (2E)-3-[(2-methoxyphenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK840144
Synonyms: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-ylpropanoate
Smiles: CCC(=O)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK840146
Synonyms: 8-(cyclohexylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(NC2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)O

STK539625
Synonyms: 6-[9-bromo-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)C)Br

STK539627
Synonyms: ethyl2-(4-methoxyphenyl)-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)OC

STK840148
Synonyms: 7-ethyl-8-(ethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCNc1nc2c(n1CC)c(=O)n(c(=O)n2C)C

STK840149
Synonyms: (1-cyclopentyl-2,5-dimethyl-1H-pyrrol-3-yl)(morpholin-4-yl)methanethione
Smiles: S=C(c1cc(n(c1C)C1CCCC1)C)N1CCOCC1

STK539634
Synonyms: 3,6-diamino-5-cyano-N-(2,3-dimethoxybenzyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1c(cccc1OC)CNC(=O)c1sc2c(c1N)cc(c(n2)N)C#N

STK539638
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C/c1ccco1

STK539639
Synonyms: N-({2-[(4-propoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)furan-2-carboxamide
Smiles: CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1

STK840164
Synonyms: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3-(2-hydroxyphenyl)-3-phenylpropanamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)CNC(=O)CC(c1ccccc1O)c1ccccc1

STK840166
Synonyms: 3-(pyridin-2-yl)-7-{[2-(trifluoromethyl)benzyl]oxy}-2H-chromen-2-one
Smiles: O=c1oc2cc(OCc3ccccc3C(F)(F)F)ccc2cc1c1ccccn1

STK840169
Synonyms: 2-{1-[4-(dimethylamino)phenyl]-3-(4-methoxybenzyl)-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-ethylphenyl)acetamide
Smiles: CCc1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)OC)c1ccc(cc1)N(C)C

STK840171
Synonyms: ethyl5-(2-ethoxy-2-oxoethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)OCC)cc2)c1ccc(cc1)OC

STK539662
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(cc1)C(C)C

STK539663
Synonyms: 6-[2-(3,4-dichlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(c(c1)Cl)Cl

STK539665
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-[4-(phenoxyacetyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)COc1ccccc1)c(c2)F

STK539667
Synonyms: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl3-cyclopentylpropanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C)CCC1CCCC1

STK539668
Synonyms: ethyl6-bromo-5-[(3-bromobenzyl)oxy]-2-tert-butyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3cccc(c3)Br)c(cc2oc1C(C)(C)C)Br

STK539671
Synonyms: N-(5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-2,2,2-trifluoroacetamide
Smiles: O=C(C(F)(F)F)NC1C(=O)Nc2c1cc(Br)cc2

STK539675
Synonyms: 7-ethyl-1,3-dimethyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK840181
Synonyms: 7-(2,3-dichlorophenyl)-3-phenyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
Smiles: Clc1cccc(c1Cl)n1c(=O)c2c(c1=O)sc1n2c(=O)c(nn1)c1ccccc1

STK840182
Synonyms: 8-(cyclohexylamino)-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2C(C)C)NC1CCCCC1

STK840184
Synonyms: 8-[benzyl(methyl)amino]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C

STK539679
Synonyms: ethyl5-[(2,6-dichlorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1c(Cl)cccc1Cl)cc2)c1ccc(cc1)OC

STK539685
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl2-methylbenzoate
Smiles: O=C(c1ccccc1C)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK840187
Synonyms: propan-2-yl5-{[(4-fluorophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccc(cc1)F)C

STK539692
Synonyms: N'-[(E)-(3-methoxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)Cn1cncn1

STK840189
Synonyms: 4,6-dimethyl-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]pyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(nc1Sc1n(C)cnc1[N+](=O)[O-])C

STK539697
Synonyms: 3-chloro-N-(4-chloro-2-{[(2-hydrazinyl-2-oxoethyl)amino](phenyl)methyl}phenyl)benzamide(non-preferredname)
Smiles: NNC(=O)CNC(c1cc(Cl)ccc1NC(=O)c1cccc(c1)Cl)c1ccccc1

STK539704
Synonyms: 4-hydroxy-2-oxo-N-[2-(piperazin-1-yl)ethyl]-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)NCCN1CCNCC1

STK840198
Synonyms: [1-(2-chlorobenzyl)-1H-indol-3-yl](morpholin-4-yl)methanethione
Smiles: Clc1ccccc1Cn1cc(c2c1cccc2)C(=S)N1CCOCC1

STK840203
Synonyms: ethyl6-bromo-5-{[(3-methoxyphenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1cccc(c1)OC)c(c2)Br

STK539720
Synonyms: 2-[(2,2-dicyano-1-{[3-(trifluoromethyl)phenyl]amino}ethenyl)sulfanyl]-N,N-diethylacetamide
Smiles: CCN(C(=O)CSC(=C(C#N)C#N)Nc1cccc(c1)C(F)(F)F)CC

STK840206
Synonyms: [3-amino-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl](1,3-benzodioxol-5-yl)methanone
Smiles: CN1CCc2c(C1)c(c1cccs1)c1c(n2)sc(c1N)C(=O)c1ccc2c(c1)OCO2

STK539723
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-methylphenyl)(phenyl)methyl]heptanamide
Smiles: Cc1ccc(cc1)C(c1ccccc1)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840207
Synonyms: 9-[2-(prop-2-en-1-yloxy)ethyl]-9H-carbazole
Smiles: C=CCOCCn1c2ccccc2c2c1cccc2

STK539735
Synonyms: N-(3-acetylphenyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)acetamide
Smiles: CC(=O)c1cccc(c1)NC(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK840210
Synonyms: 2-[4-(4-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(nc1N1CCN(CC1)c1ccc(cc1)F)C

STK539739
Synonyms: 6-amino-1-methyl-3-propyl-4-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1nn(c2c1C(c1ccncc1)C(=C(O2)N)C#N)C

STK539742
Synonyms: 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NCCc1ccc(c(c1)OC)OC

STK840212
Synonyms: 4-hydroxy-N-(4-methylbenzyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK539749
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)Cn1nnc(n1)N

STK840215
Synonyms: ethyl2-(4-methoxyphenyl)-5-{[2-(trifluoromethyl)benzyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1C(F)(F)F)cc2)c1ccc(cc1)OC

STK840217
Synonyms: 2-(tetrahydrofuran-2-ylmethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1CC1CCCO1)ccc3

STK840219
Synonyms: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cc(Br)cc(c1O)Br

STK539761
Synonyms: {[3-(4-methoxyphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}aceticacid
Smiles: COc1ccc(cc1)n1c(SCC(=O)O)nc2c(c1=O)c1CC(OCc1s2)C(C)C

STK539768
Synonyms: prop-2-en-1-ylN'-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]carbamohydrazonothioate
Smiles: C=CCS/C(=N\N=C\c1cc(cc(c1O)Br)[N+](=O)[O-])/N

STK539773
Synonyms: N'-[(1E)-1-(4-methylphenyl)ethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: C/C(=N\NC(=O)Cn1ncnc1)/c1ccc(cc1)C

STK539776
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)Cn1nnc(n1)N

STK840223
Synonyms: methyl2-methyl-5-[(phenylcarbonyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccccc1

STK539786
Synonyms: 3-{[(E)-(3,4-dihydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(c(c1)O)O

STK840226
Synonyms: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N(C)C)O

STK539790
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(2E)-1-phenylbutan-2-ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)Cn1nnc(n1)N)/Cc1ccccc1

STK840228
Synonyms: 2-(pyridin-2-ylsulfanyl)-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccs1

STK840229
Synonyms: 2-({[(2-iodophenyl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)N)NC(=S)NC(=O)c1ccccc1I

STK539792
Synonyms: 2-{[2-(3-methoxyphenyl)quinazolin-4-yl]amino}ethanol
Smiles: OCCNc1nc(nc2c1cccc2)c1cccc(c1)OC

STK840231
Synonyms: 2-(6-methoxy-2-methyl-4-oxoquinolin-1(4H)-yl)-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccc2c(c1)c(=O)cc(n2CC(=O)Nc1ccccc1OC)C

STK539798
Synonyms: methyl5-bromo-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)Br

STK539802
Synonyms: 3-ethoxy-2-(4-fluorophenyl)-5-phenyl-2,3-dihydro-1,3-oxaphosphole3-oxide
Smiles: CCOP1(=O)C=C(OC1c1ccc(cc1)F)c1ccccc1

STK840236
Synonyms: 8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(=O)[nH]c(=O)n2C)COC(C)C

STK539806
Synonyms: ethyl5-{2-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-2-oxoethoxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N/N=C/c1ccccc1OC)cc2)c1ccccc1

STK840242
Synonyms: 1-(ethylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3

STK539814
Synonyms: 8-(propan-2-yloxy)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3OC(C)C

STK539818
Synonyms: methylN'-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]carbamohydrazonothioate
Smiles: CS/C(=N\N=C\c1cc(cc(c1O)Br)[N+](=O)[O-])/N

STK840245
Synonyms: ethyl{[3-(3-methylbenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccc(c1)C

STK539819
Synonyms: ethyl6-bromo-5-[(3-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)Br)c(c2)Br

STK539829
Synonyms: 4,6-dimethyl-2-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}pyrimidine
Smiles: C/C(=N\Nc1nc(C)cc(n1)C)/C=C/c1ccccc1

STK539831
Synonyms: methyl3-[(phenoxycarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)Oc1ccccc1)cccc2

STK539833
Synonyms: 1-heptyl-2-hydroxy-4-imino-1,4-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCCn1c(O)c(C(=O)NN)c(=N)c2c1cccc2

STK840249
Synonyms: ethyl2-tert-butyl-5-[(4-fluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(cc3)F)ccc2oc1C(C)(C)C

STK539834
Synonyms: N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK539835
Synonyms: ethyl6,7-difluoro-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxylate
Smiles: CCCn1cc(C(=O)OCC)c(=O)c2c1cc(F)c(c2)F

STK840250
Synonyms: 8-(diethylamino)-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)C)CC

STK539842
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(1,3-dioxolan-2-ylmethyl)(methyl)amino]ethanone
Smiles: CN(CC(=O)c1c(C)[nH]c2c1ccc(c2)C)CC1OCCO1

STK539848
Synonyms: ethyl5-{[(2-bromophenyl)carbonyl]oxy}-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccccc1Br)c1ccc(cc1)OC

STK840255
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK539851
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)Cn1nnc(n1)N

STK539854
Synonyms: 8-(dimethylamino)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(c1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C)C

STK539855
Synonyms: 2-amino-N-cyclohexyl-1-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Cc1cc(C)cc(c1)n1c(N)c(c2c1nc1ccccc1n2)C(=O)NC1CCCCC1

STK539856
Synonyms: 3-[(3,5-dichloropyridin-2-yl)amino]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)C1SCC(=O)N1Nc1ncc(cc1Cl)Cl

STK539860
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Smiles: OCCN1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK539869
Synonyms: 3,3'-(1H-imidazole-1,4-diyl)dipropanoicacid
Smiles: OC(=O)CCn1cnc(c1)CCC(=O)O

STK840257
Synonyms: ethyl6-bromo-2-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC=C(C)C)c(c2)Br

STK840260
Synonyms: ethyl6-bromo-5-{[(4-methoxyphenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(cc1)OC)c(c2)Br

STK539875
Synonyms: 7,8-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: OC(=O)c1c[nH]c2c(c1=O)ccc(c2Cl)Cl

STK539876
Synonyms: 5-[(2-chloro-4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylicacid
Smiles: Fc1ccc(c(c1)Cl)COc1ccc2c(c1)c(C(=O)O)c(o2)C

STK539877
Synonyms: (3Z)-3-{2-[4-(2-methylpropyl)phenyl]-2-oxoethylidene}-1,3-dihydro-2H-indol-2-one
Smiles: CC(Cc1ccc(cc1)C(=O)/C=C/1\C(=O)Nc2c1cccc2)C

STK840264
Synonyms: 2-methoxyethyl6-bromo-5-[(1-ethoxy-1-oxopropan-2-yl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OC(C(=O)OCC)C)c(c2)Br

STK840268
Synonyms: 2-(2-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK539892
Synonyms: methyl3-{[(4-cyclohexylpiperazin-1-yl)acetyl]amino}-5,6-dimethoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)C1CCCCC1)cc(c(c2)OC)OC

STK840271
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-ylacetate
Smiles: CC(=O)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK840272
Synonyms: 2-methoxyethyl5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)NN)cc2

STK840273
Synonyms: (2Z)-3-(2-bromophenyl)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1Br)/c1scc(n1)c1ccc(cc1Cl)Cl

STK539897
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1cn(nc1C)C

STK539905
Synonyms: ethyl5-{[(4-bromophenyl)carbonyl]oxy}-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)Br)c1ccc(cc1)OC

STK840279
Synonyms: (2E)-2-cyano-N-cyclohexyl-3-(1-{2-[(furan-2-ylmethyl)amino]-2-oxoethyl}-1H-indol-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CC(=O)NCc1ccco1)/C(=O)NC1CCCCC1

STK539908
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N\NC(=O)Cn2nnc(n2)N)ccc1O

STK539913
Synonyms: 3-[benzyl(hydroxy)phosphoryl]propanoicacid
Smiles: OC(=O)CCP(=O)(Cc1ccccc1)O

STK539916
Synonyms: 2-{[(5-hydroxy-1H-pyrazol-3-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCc1n[nH]c(c1)O)C

STK539920
Synonyms: 6'-amino-3'-methyl-2,3,5,6-tetrahydro-2'H-spiro[pyran-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31CCOCC3)c(C)[nH]n2

STK539927
Synonyms: ethyl1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK539928
Synonyms: (2E)-N-(4-ethoxybenzyl)-2-(pyridin-3-ylmethylidene)hydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)CNC(=S)N/N=C/c1cccnc1

STK840286
Synonyms: 2-{2-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(CCN2CCN(CC2)S(=O)(=O)c2ccc3c(c2)cccc3)c(=O)c2c3c1cccc3ccc2

STK840287
Synonyms: 3-(ethylsulfanyl)-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCSc1nnc2n1c(SC)nc1c2c2CC(OCc2s1)C(C)C

STK539938
Synonyms: N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C(/C=C/c1ccccc1)\C

STK539939
Synonyms: (9E)-9-(4-fluorobenzylidene)-3,5-bis(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc(cc1)F)/C(=C/c1ccc(cc1)F)/CCC2

STK539940
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(morpholin-4-yl)-2-(pyridin-4-yl)acetohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)C(c1ccncc1)N1CCOCC1)C

STK539946
Synonyms: N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK840293
Synonyms: N-{[2-(phenylcarbonyl)hydrazinyl]carbonothioyl}pyridine-3-carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccccc1

STK840295
Synonyms: 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

STK539953
Synonyms: N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccccc1)N/N=C/c1ccc(o1)C

STK539958
Synonyms: N'-[(E)-(3-methoxy-4-propoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: CCCOc1ccc(cc1OC)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK539960
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)NCc1ccc2c(c1)OCO2

STK539961
Synonyms: 1-(4-chlorophenyl)-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
Smiles: Clc1ccc(cc1)C(=O)CC(=O)c1ccc2c(c1O)cccc2

STK539964
Synonyms: (2E)-3-[4-(dimethylamino)phenyl]-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Smiles: CN(c1ccc(cc1)/C=C/C(=O)c1ccc2c(c1O)cccc2)C

STK539973
Synonyms: ethyl3-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=S)NC(=O)/C=C/c1ccco1

STK539975
Synonyms: 9-[(4-methyl-1,3-dioxolan-2-yl)methyl]-9H-carbazole
Smiles: CC1COC(O1)Cn1c2ccccc2c2c1cccc2

STK539976
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]heptanamide
Smiles: O=C(NC(c1ccc2c(c1)CCCC2)C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK539983
Synonyms: 2,5-bis[(tert-butylamino)methyl]-1,6-bis(4-methoxyphenyl)hexane-1,6-dione
Smiles: COc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OC)CNC(C)(C)C

STK539984
Synonyms: 2-cyclopropyl-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK539988
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1E)-1-phenylpropylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)Cn1nnc(n1)N)/c1ccccc1

STK539993
Synonyms: 2,5-bis[(tert-butylamino)methyl]-1,6-bis[4-(pentyloxy)phenyl]hexane-1,6-dione
Smiles: CCCCCOc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OCCCCC)CNC(C)(C)C

STK540001
Synonyms: (2E)-N-{[2-(phenylsulfonyl)hydrazinyl]carbonothioyl}-3-(thiophen-2-yl)prop-2-enamide
Smiles: S=C(NC(=O)/C=C/c1cccs1)NNS(=O)(=O)c1ccccc1

STK540003
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(/c1ccc(cc1)C)\C

STK540006
Synonyms: 9-[(4-ethyl-1,3-dioxolan-2-yl)methyl]-9H-carbazole
Smiles: CCC1COC(O1)Cn1c2ccccc2c2c1cccc2

STK840306
Synonyms: ethyl2-tert-butyl-5-[2-oxo-2-(propan-2-yloxy)ethoxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)OC(C)C)ccc2oc1C(C)(C)C

STK840307
Synonyms: 1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
Smiles: Cc1ccc(cc1)C1c2c(C)onc2CC(C1C(=O)C)(C)O

STK540010
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccc(c1)O

STK540011
Synonyms: 2-(3,4-dimethoxyphenyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCC2

STK540012
Synonyms: 2,4-bis[(4-methylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC1CCN(CC1)Cn1ncn(c1=S)CN1CCC(CC1)C

STK840309
Synonyms: ethyl2-tert-butyl-5-[(2-chlorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccccc3Cl)ccc2oc1C(C)(C)C

STK840310
Synonyms: 2,2-diphenyl-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acetamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCC1(CCOCC1)c1ccccc1

STK540015
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK840313
Synonyms: ethyl2-tert-butyl-5-(cyanomethoxy)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC#N)ccc2oc1C(C)(C)C

STK840316
Synonyms: (2E)-3-(4-fluorophenyl)-N-[4-(morpholin-4-yl)phenyl]prop-2-enamide
Smiles: O=C(Nc1ccc(cc1)N1CCOCC1)/C=C/c1ccc(cc1)F

STK540032
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-methoxyphenyl)(phenyl)methyl]heptanamide
Smiles: COc1ccc(cc1)C(c1ccccc1)NC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540035
Synonyms: (2Z,4E)-5-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]penta-2,4-dienenitrile
Smiles: N#C/C(=C/C=C/c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK540038
Synonyms: 2-methoxyethyl6-bromo-5-[(3,4-dichlorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(c(c1)Cl)Cl)c(c2)Br

STK840327
Synonyms: 8-(diethylamino)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1CC)c(=O)n(c(=O)n2C)C)CC

STK540046
Synonyms: ethyl5-[(3,4-dichlorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(c(c1)Cl)Cl)cc2)c1ccc(cc1)OC

STK840329
Synonyms: propan-2-yl2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2)C

STK840332
Synonyms: 3-methyl-7-(2-phenylethyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCc1ccccc1)c(n2)N1CCCC1)C

STK540047
Synonyms: N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: O=C(COc1ccc(cc1)n1cnnn1)N/N=C/c1ccccc1OCc1ccc(cc1)Cl

STK840333
Synonyms: ethyl5-ethoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC)cc2)c1ccc(cc1)OC

STK540050
Synonyms: methyl5-bromo-3-{[(3-methoxyphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COc1cccc(c1)C(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC

STK840335
Synonyms: 3-methyl-7-(3-methylbutyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCNc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK840336
Synonyms: propan-2-yl2-methyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-])C

STK540057
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1)Cl

STK840337
Synonyms: ethyl5-[(2-fluorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccccc1F)cc2)c1ccc(cc1)OC

STK840338
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnnc1N)N/N=C/c1ccc(cc1)F

STK840344
Synonyms: N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide
Smiles: N#Cc1c(ncc2c1[nH]c1c2cccc1)N(C(=O)C)C(=O)C

STK840351
Synonyms: ethyl2-(4-methoxyphenyl)-5-[(4-methylbenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)C)cc2)c1ccc(cc1)OC

STK540072
Synonyms: 2-(5-bromo-2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
Smiles: COc1cc(OC)c(cc1c1nc(c([nH]1)c1ccccc1)c1ccccc1)Br

STK840352
Synonyms: ethyl2-tert-butyl-5-[(3,4-dichlorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3ccc(c(c3)Cl)Cl)ccc2oc1C(C)(C)C

STK540074
Synonyms: N-[3-(acetylamino)phenyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cccc(c2)NC(=O)C)nc(cc1C(F)(F)F)C

STK540081
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)CSc1nc2c(s1)cccc2)C

STK540083
Synonyms: 3-(ethylsulfanyl)-9-methyl-5-(methylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCSc1nnc2n1c(SC)nc1c2c2CCC(Cc2s1)C

STK540096
Synonyms: 11-(2-methylpropyl)-3-[2-(morpholin-4-yl)ethyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CC(Cn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCN1CCOCC1)C

STK540099
Synonyms: N'-[(1E)-1-phenylbutylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: CCC/C(=N\NC(=O)Cn1cncn1)/c1ccccc1

STK840361
Synonyms: (2E)-3-phenyl-N-{[2-(thiophen-2-ylacetyl)hydrazinyl]carbonothioyl}prop-2-enamide
Smiles: O=C(Cc1cccs1)NNC(=S)NC(=O)/C=C/c1ccccc1

STK840363
Synonyms: 2-methoxyethyl6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC)c(c2)Br

STK840364
Synonyms: 2-({[(2-iodophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Smiles: S=C(NC(=O)c1ccccc1I)Nc1sc2c(c1C(=O)N)CCCCCC2

STK840368
Synonyms: 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(morpholin-4-yl)methanone
Smiles: O=C(N1c2ccccc2CCc2c1cccc2)N1CCOCC1

STK840369
Synonyms: methyl2-methyl-5-{[(pentafluorophenoxy)acetyl]oxy}-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)COc1c(F)c(F)c(c(c1F)F)F

STK540115
Synonyms: ethyl6-bromo-5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1cc2c(cc1Br)oc(c2C(=O)OCC)c1ccccc1

STK840371
Synonyms: 2-methoxyethyl5-[(2-chloro-4-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)F)cc2

STK540116
Synonyms: methyl3-[(3-cyclopentylpropanoyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCC1CCCC1)cccc2

STK540122
Synonyms: 3-{4-[(5E)-5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2)/S1

STK540123
Synonyms: 2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)Cc1ccc(cc1)OC)nc1n(c2=O)cccc1

STK540124
Synonyms: 6-[9-bromo-2-(4-bromophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)Br)Br

STK540125
Synonyms: N-(4-methoxyphenyl)-2-(2-methyl-4-oxoquinolin-1(4H)-yl)acetamide
Smiles: COc1ccc(cc1)NC(=O)Cn1c(C)cc(=O)c2c1cccc2

STK540130
Synonyms: 4-ethoxy-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N[C@H]([C@@H](c1ccccc1)O)C)C

STK540135
Synonyms: 3,6-diamino-N-[4-(butan-2-yl)phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Smiles: CCC(c1ccc(cc1)NC(=O)c1sc2c(c1N)cc(c(n2)N)C#N)C

STK540139
Synonyms: (2Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-4-(pentafluorophenoxy)but-2-enenitrile
Smiles: N#C/C(=C(\COc1c(F)c(F)c(c(c1F)F)F)/O)/c1nc2c(s1)cccc2

STK540142
Synonyms: N'-[(E)-(2-methoxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)Cn1cncn1

STK840378
Synonyms: 2-methoxyethyl6-bromo-5-[(2-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1Br)c(c2)Br

STK540147
Synonyms: (1R,9R)-2,5,8-trimethyl-1,9-di(pyridin-3-yl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrrolo[3,2-c:4,5-c']dipyridine
Smiles: CN1CCc2c([C@H]1c1cccnc1)c1[C@H](N(C)CCc1n2C)c1cccnc1

STK540153
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCNCC1)O

STK840381
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCC1)COc1ccc(cc1)Cl

STK540158
Synonyms: ethyl6-bromo-5-[(pentafluorobenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1c(F)c(F)c(c(c1F)F)F)c(c2)Br)c1ccccc1

STK540164
Synonyms: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCNc1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)C

STK540167
Synonyms: 4-hydroxy-3-[(4-methylphenyl)carbonyl]-5H-spiro[furan-2,2'-indene]-1',3',5-trione
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)OC21C(=O)c1c(C2=O)cccc1

STK540168
Synonyms: methyl4-[(E)-{2-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]hydrazinylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)c1c(C)nc2n1cc(C)cc2

STK540169
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCC2(CC1)OCCO2)C

STK540176
Synonyms: 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
Smiles: COc1cccc(c1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(n1)cccc2

STK540177
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1ccc(o1)C

STK840385
Synonyms: methyl5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1ccc2c(c1)c(C(=O)OC)c(o2)C

STK540183
Synonyms: 2-methoxyethyl6-bromo-5-[(2,4-dichlorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1Cl)Cl)c(c2)Br

STK840387
Synonyms: [(3-chlorophenyl)(3-hydroxy-5-propyl-1H-pyrazol-4-yl)methyl]propanedinitrile
Smiles: CCCc1[nH]nc(c1C(c1cccc(c1)Cl)C(C#N)C#N)O

STK540187
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)ccc1OCc1ccc(c(c1)Cl)Cl

STK540194
Synonyms: N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(cc(c1O)/C=N/NC(=O)CSc1nnc(n1C)c1ccccc1)[N+](=O)[O-]

STK540200
Synonyms: 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydro-4H-chromen-4-one
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1CC(=O)c2c(O1)cccc2

STK540201
Synonyms: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1C

STK540202
Synonyms: N'-[(E)-1H-indol-3-ylmethylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1c[nH]c2c1cccc2

STK840393
Synonyms: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCc1ccc(cc1)OCC(Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)O

STK540204
Synonyms: 2-{[2-(phenylamino)phenyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: O=C(C1CCCCC1C(=O)O)Nc1ccccc1Nc1ccccc1

STK540207
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methylphenyl)heptanamide
Smiles: O=C(Nc1ccccc1C)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840395
Synonyms: ethyl5-{[(4-fluorophenyl)carbonyl]oxy}-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1ccc(cc1)F)c1ccccc1

STK540214
Synonyms: ethyl5-[(2,4-dichlorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1Cl)Cl)cc2)c1ccc(cc1)OC

STK540216
Synonyms: N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(o1)C

STK840399
Synonyms: 2-(2-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(/C=C/C(=O)N2CCN(CC2)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)cc(c1OC)OC

STK540217
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Br)N/N=C(\c1ccc(cc1)[N+](=O)[O-])/C

STK540220
Synonyms: 6-[9-bromo-2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)cccc2)Br

STK840402
Synonyms: ethyl5-{[(4-fluorophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1ccc(cc1)F

STK540223
Synonyms: 3-(4-benzylpiperazin-1-yl)-N-[3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]quinoxalin-2-amine
Smiles: Cc1nn(c(c1)Nc1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1)c1nc2c(n1C)cccc2

STK840403
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(cyclohexylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK540224
Synonyms: N-[(4-benzylpiperazin-1-yl)carbonothioyl]pyridine-3-carboxamide
Smiles: S=C(N1CCN(CC1)Cc1ccccc1)NC(=O)c1cccnc1

STK540229
Synonyms: 2,2,3,3,4,4,4-heptafluoro-N-(1H-1,2,4-triazol-3-yl)butanamide
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)Nc1n[nH]cn1

STK840406
Synonyms: 7-(4-fluorobenzyl)-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(NCCCn2cncc2)nc2c1c(=O)n(c(=O)n2C)C

STK840408
Synonyms: ethyl6-bromo-5-{[(2-methoxyphenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1OC)c(c2)Br

STK540237
Synonyms: 4-bromo-N-{[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)Br)NNC(=O)c1ccco1

STK540239
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoicacid
Smiles: Cc1cccc(c1)n1c(SC(C(=O)O)C)nc2c(c1=O)c1CCCCc1s2

STK540240
Synonyms: 6-(hexylamino)-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCCCNc1nc(CC(C)C)c2c(c1C#N)CC(OC2)(C)C

STK840412
Synonyms: (3-chloro-1-benzothiophen-2-yl){4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methanone
Smiles: O=C(c1sc2c(c1Cl)cccc2)N1CCN(CC1)C/C=C/c1ccccc1

STK540249
Synonyms: N-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]naphthalene-1-carboxamide
Smiles: O=C(N1CCCc2c1ccc(c2)NC(=O)c1cccc2c1cccc2)c1ccccc1

STK540255
Synonyms: 4-benzyl-1-(ethylsulfanyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)C(C)C

STK540259
Synonyms: 6-[9-bromo-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(c(c1C(=O)O)OC)OC

STK540260
Synonyms: 2-cyclopropyl-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: COc1ccc(c(c1)OC)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1

STK540265
Synonyms: 2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)Cn1nnnc1N

STK840419
Synonyms: 2-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK840421
Synonyms: 8-(ethylamino)-3-methyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C

STK840423
Synonyms: 2-methoxyethyl6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)F)c(c2)Br

STK840425
Synonyms: 3-amino-4,5,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Cc1onc(c1)NC(=O)c1sc2c(c1N)c(C)c(c(n2)C)C

STK540279
Synonyms: 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(CCNc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)C

STK540291
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1Z)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(\c1ccc2c(c1)cccc2)/C

STK540296
Synonyms: methyl5-chloro-3-{[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC3(CC1)OCCO3)C)cc(cc2)Cl

STK540297
Synonyms: N'-{(1Z,2Z)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: CC(c1ccc(cc1)/C=C(\C=N/NC(=O)Cn1ncnc1)/C)C

STK540299
Synonyms: N-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetyl}glycine
Smiles: N#Cc1c(C)cc(nc1SCC(=O)NCC(=O)O)C

STK540300
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
Smiles: N#Cc1c(C)cc(nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK840434
Synonyms: N-cyclohexyl-4-phenyltetrahydro-2H-pyran-4-carboxamide
Smiles: O=C(C1(CCOCC1)c1ccccc1)NC1CCCCC1

STK840435
Synonyms: prop-2-yn-1-yl(2E)-3-(3-nitrophenyl)prop-2-enoate
Smiles: C#CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

STK840438
Synonyms: ethyl6-methoxy-4-[(2-methoxyphenyl)amino]quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1ccccc1OC)cc(cc2)OC

STK840440
Synonyms: (3E)-1,1,1-trifluoro-4-[(2-hydroxyphenyl)amino]but-3-en-2-one
Smiles: O=C(C(F)(F)F)/C=C/Nc1ccccc1O

STK840443
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
Smiles: COc1ccc2c(c1)sc(c2Cl)C(=O)NCc1ccc2c(c1)OCO2

STK540318
Synonyms: 6-[9-bromo-2-(naphthalen-1-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1cccc2c1cccc2)Br

STK540320
Synonyms: 2-hydrazinyl-3-(3-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: NNc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCC3

STK540324
Synonyms: 3-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)/N=C/c1ccc(c(c1)OC)O

STK840448
Synonyms: 1-(2,3-dihydroxypropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(=O)c2n(C)cnc2n(c1=O)C)O

STK840449
Synonyms: ethyl5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)C(C)(C)C)cc2)c1ccccc1

STK540330
Synonyms: 9'-bromo-2'-phenyl-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: Brc1ccc2c(c1)C1CC(=NN1C1(O2)CCN(CC1)C(C)C)c1ccccc1

STK840450
Synonyms: 4-acetyl-5-(4-bromophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1ccc(cc1)C1NC(=O)C(=C1C(=O)C)O

STK540332
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(1E)-1-phenylethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C(/c1ccccc1)\C

STK540333
Synonyms: 2-[(1-{[4-(morpholin-4-ylsulfonyl)phenyl]carbonyl}piperidin-4-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCC(CC1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

STK840452
Synonyms: ethyl6-bromo-5-(2-ethoxy-2-oxo-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)C(c1ccccc1)Oc1cc2c(cc1Br)oc(c2C(=O)OCC)C

STK540335
Synonyms: N-benzylbenzo[cd]indol-2-amine
Smiles: c1ccc(cc1)CNC1=Nc2c3c1cccc3ccc2

STK540336
Synonyms: 1-phenyl-N-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene]methanamine
Smiles: c1ccc(cc1)C/N=C/1\CCCc2c(N1)cccc2

STK840457
Synonyms: 2-(azepan-1-yl)-N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-oxoacetohydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccc1OCc1ccccc1)N1CCCCCC1

STK540340
Synonyms: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: Brc1cc(/C=N/NC(=O)Cn2ncnc2)c(c(c1)Br)O

STK840460
Synonyms: 2-methoxyethyl6-bromo-5-methoxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OC)c(c2)Br

STK540343
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1ccc(o1)C

STK540345
Synonyms: 2-{2-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1CCN1CCN(CC1)S(=O)(=O)c1cccs1)ccc3

STK840462
Synonyms: methyl2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C(C(C(F)(F)F)(F)F)(F)F

STK540359
Synonyms: (2E)-4-oxo-4-[2-(pyridin-2-ylcarbonyl)hydrazinyl]but-2-enoicacid
Smiles: O=C(NNC(=O)c1ccccn1)/C=C/C(=O)O

STK840465
Synonyms: 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine
Smiles: Nc1nc(N)nc(n1)c1ccccn1

STK540361
Synonyms: 1-[6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
Smiles: COc1ccc(cc1)C1c2c(C)onc2CC(C1C(=O)C)(C)O

STK540362
Synonyms: 6-[2-(2-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1Cl

STK540365
Synonyms: N'-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)CSc1ccccn1)Br

STK540366
Synonyms: 6-oxo-N-(pyridin-3-ylmethyl)-1,6-dihydropyridazine-3-carboxamide
Smiles: O=C(c1ccc(=O)[nH]n1)NCc1cccnc1

STK540369
Synonyms: methyl5-bromo-3-{[ethoxy(oxo)acetyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)C(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OC

STK540371
Synonyms: 4-(4-methoxyphenyl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(C)nc2c1C(=O)c1c2cccc1

STK540377
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-[4-(phenylacetyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)Cc1ccccc1)c(c2)F

STK840468
Synonyms: ethyl5-[2-(benzyloxy)-2-oxoethoxy]-2-tert-butyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCC(=O)OCc3ccccc3)ccc2oc1C(C)(C)C

STK540381
Synonyms: ethyl4-{6-fluoro-3-[(furan-2-ylmethyl)carbamoyl]-1-hexyl-4-oxo-1,4-dihydroquinolin-7-yl}piperazine-1-carboxylate
Smiles: CCCCCCn1cc(C(=O)NCc2ccco2)c(=O)c2c1cc(N1CCN(CC1)C(=O)OCC)c(c2)F

STK840469
Synonyms: 3-(4-{[5-(2,3-dichlorophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)propanenitrile
Smiles: N#CCCN1CCN(CC1)C(=S)c1ccc(o1)c1cccc(c1Cl)Cl

STK540382
Synonyms: ethyl6-bromo-2-tert-butyl-5-[(pentafluorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3c(F)c(F)c(c(c3F)F)F)c(cc2oc1C(C)(C)C)Br

STK840470
Synonyms: (2E)-2-(pyridin-2-ylmethylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccccn1

STK540384
Synonyms: propan-2-yl2-methyl-5-{2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy}-1-benzofuran-3-carboxylate
Smiles: O=C(COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C)N/N=C/c1cccs1

STK540389
Synonyms: N-(furan-2-ylmethyl)but-2-yn-1-amine
Smiles: CC#CCNCc1ccco1

STK540392
Synonyms: 6-amino-4-(3-methoxy-4-propoxyphenyl)-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(CSc1ccc(cc1)C)[nH]n2)C#N

STK540393
Synonyms: N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)CSc1ccccn1)C

STK540394
Synonyms: 3-methyl-7-(3-phenylpropyl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK540396
Synonyms: (2E)-N-(2,4-dichlorophenyl)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1Cl)Cl)N/N=C/c1cn(nc1C)C

STK540397
Synonyms: ethyl2-methyl-5-{2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethoxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)N/N=C/c1cccs1)cc2

STK540399
Synonyms: ethyl6-bromo-5-{[(4-bromophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(cc1)Br)c(c2)Br

STK840475
Synonyms: N-(3,5-dimethylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
Smiles: Cc1cc(cc(c1)C)NC(=O)c1c(C)nc2n1cccc2

STK840476
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK840477
Synonyms: 8-(butylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK540415
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1ccc(cc1O)/C=N/NC(=O)Cn1nnc(n1)N

STK540417
Synonyms: N'-[(E)-(5-nitrothiophen-2-yl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK840479
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(propan-2-yl)-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: O=C(c1cccs1)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(C)C

STK540421
Synonyms: (Z)-1-(4-methoxyphenyl)-N-[(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Smiles: COc1ccc(cc1)/C=N\OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C

STK540423
Synonyms: N,N,2-trimethyl-6,6-diphenylhex-3-yn-2-amine
Smiles: CN(C(C#CCC(c1ccccc1)c1ccccc1)(C)C)C

STK840486
Synonyms: propan-2-yl2-methyl-5-[(methylsulfonyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OS(=O)(=O)C)C

STK540433
Synonyms: 8-methoxy-3-{[(E)-pyridin-4-ylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccncc1

STK840488
Synonyms: propan-2-yl5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: NNC(=O)COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C

STK540438
Synonyms: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
Smiles: OCCN1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cccc2

STK840495
Synonyms: (2Z)-3-amino-3-[(4-methoxyphenyl)amino]-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: COc1ccc(cc1)N/C(=C(/C=C/1\Nc2c(C1=O)cccc2)\C#N)/N

STK540444
Synonyms: 2,6,8-trimethyl-3-[(4-methylpiperidin-1-yl)methyl]quinolin-4-ol
Smiles: CC1CCN(CC1)Cc1c(C)nc2c(c1O)cc(cc2C)C

STK540445
Synonyms: ethyl1-[2-(2,6-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK840496
Synonyms: ethyl6-bromo-5-{[(4-fluorophenyl)carbonyl]oxy}-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(cc1)F)c(c2)Br

STK540452
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl4-fluorobenzoate
Smiles: Fc1ccc(cc1)C(=O)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

STK840497
Synonyms: 7-ethyl-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CC)c(=O)n(c(=O)n2C)C

STK540455
Synonyms: 7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylheptanamide
Smiles: O=C(Nc1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK840499
Synonyms: 8-(butan-2-ylamino)-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)C)C

STK840500
Synonyms: 1-(4-{[5-(2-nitrophenyl)furan-2-yl]carbonothioyl}piperazin-1-yl)ethanone
Smiles: CC(=O)N1CCN(CC1)C(=S)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK840502
Synonyms: 2-methoxyethyl6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCC(=O)OC(C)(C)C)c(c2)Br

STK540467
Synonyms: 3-(ethylsulfanyl)-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCSc1nnc2n1cnc1c2sc2c1c1CCCCc1c(n2)C(C)C

STK540472
Synonyms: 2,4-dichloro-5-(morpholin-4-yl)-2-(prop-2-en-1-yl)cyclopent-4-ene-1,3-dione
Smiles: C=CCC1(Cl)C(=O)C(=C(C1=O)Cl)N1CCOCC1

STK540479
Synonyms: 3-{[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1/N=C/c1sc2c(c1O)cccc2

STK540483
Synonyms: 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylpropylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1C)c1cccc(c1)Br)/c1ccccc1

STK540484
Synonyms: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Fc1ccc2c(c1)sc(n2)NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK840509
Synonyms: 2,8-dimethyl-3-(morpholin-4-ylmethyl)quinolin-4(1H)-one
Smiles: Cc1[nH]c2c(C)cccc2c(=O)c1CN1CCOCC1

STK540485
Synonyms: ethyl5-(cyanomethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC#N)cc2)c1ccc(cc1)OC

STK840512
Synonyms: ethyl5-[(3-chlorobenzyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)Cl)cc2)c1ccc(cc1)OC

STK840514
Synonyms: N,N-dimethyl-4-[(1E)-2,2,2-trifluoro-N-hydroxyethanimidoyl]aniline
Smiles: O/N=C(/C(F)(F)F)\c1ccc(cc1)N(C)C

STK540494
Synonyms: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(dimethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1Cl)Cl

STK540498
Synonyms: methyl5,6-dimethoxy-3-{[(3-methylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccc(c1)C)cc(c(c2)OC)OC

STK840520
Synonyms: 7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc1n2CC=NN1

STK840522
Synonyms: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(ccc1OC)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

STK540509
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2nnc(n2)N)ccc1OC

STK540511
Synonyms: methyl6-bromo-5-[(2-bromobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(OCc1ccccc1Br)c(c2)Br

STK540516
Synonyms: N-benzyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
Smiles: O=C(c1ccc(=O)[nH]n1)NCc1ccccc1

STK540519
Synonyms: 6-[2-(furan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccco1

STK540520
Synonyms: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2oc1=O)OCc1ccccc1C

STK840527
Synonyms: methyl2-methyl-5-[(thiophen-2-ylcarbonyl)oxy]-1-benzofuran-3-carboxylate
Smiles: COC(=O)c1c(C)oc2c1cc(cc2)OC(=O)c1cccs1

STK840528
Synonyms: 5-[(4-chlorophenyl)sulfanyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
Smiles: Clc1ccc(cc1)Sc1c(nc2n1c(C)cs2)c1ccccc1

STK840531
Synonyms: ethyl2-tert-butyl-5-[(2,6-dichlorobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OCc3c(Cl)cccc3Cl)ccc2oc1C(C)(C)C

STK840534
Synonyms: N-{[2-(pyridin-3-ylcarbonyl)hydrazinyl]carbonothioyl}furan-2-carboxamide
Smiles: S=C(NC(=O)c1ccco1)NNC(=O)c1cccnc1

STK540531
Synonyms: 8-chloro-3-({(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1CN1CCCCC1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Cl

STK540537
Synonyms: 2,3-dimethoxy-6-[2-(pyridin-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccccn1

STK540539
Synonyms: N-[4-({3-[4-(diphenylmethyl)piperazin-1-yl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}sulfamoyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2c(C1=O)cccc2

STK540542
Synonyms: N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-2-methylquinoline-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(C)nc3c2cccc3)ccc1OC(C)C

STK540549
Synonyms: N-[biphenyl-4-yl(phenyl)methyl]-7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanamide
Smiles: O=C(NC(c1ccc(cc1)c1ccccc1)c1ccccc1)CCCCCCN1C(=O)c2c(C1=O)cccc2

STK540550
Synonyms: ethyl5-methoxy-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)OC

STK540557
Synonyms: 1-(4-methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carbonitrile
Smiles: N#CC1(CCC(=O)N1c1ccc(cc1)OC)c1ccccc1

STK540560
Synonyms: 4-{(Z)-2-(1,3-benzothiazol-2-yl)-1-[(2,2-dimethylpropanoyl)oxy]ethenyl}-6-ethylbenzene-1,3-diylbis(2,2-dimethylpropanoate)
Smiles: CCc1cc(/C(=C/c2sc3c(n2)cccc3)/OC(=O)C(C)(C)C)c(cc1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

STK840544
Synonyms: ethyl5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCC(=O)c1ccc(cc1)Cl)cc2

STK540566
Synonyms: 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Cl)N/N=C/c1cccs1

STK540574
Synonyms: (6aR,6bS,9aR,10S)-8-(4-bromophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N

STK840546
Synonyms: ethyl5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-phenyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)c1ccc(cc1)OC)cc2)c1ccccc1

STK840551
Synonyms: 2-{[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]methyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1c2cccc3c2c(c(=O)n1CC1CCN(CC1)S(=O)(=O)c1cccc2c1nccc2)ccc3

STK840553
Synonyms: ethyl6-bromo-5-[(cyclohexylcarbonyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC(=O)C1CCCCC1)c(c2)Br

STK540582
Synonyms: 2,4-bis(ethylsulfanyl)-6-(propan-2-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCSc1nc(SCC)nc2c1c1CC(OCc1s2)C(C)C

STK840555
Synonyms: N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cc(Br)c(c(c1)Br)O

STK840556
Synonyms: ethyl2-(4-methoxyphenyl)-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1cccc(c1)[N+](=O)[O-])cc2)c1ccc(cc1)OC

STK840557
Synonyms: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)O

STK540593
Synonyms: ethyl3-({[(1R,6R)-6-benzylcyclohex-3-en-1-yl]carbonyl}amino)-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1)cc(cc2)OC

STK540601
Synonyms: propan-2-yl5-(2-{2-[(4-methoxyphenyl)carbonyl]hydrazinyl}-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Smiles: COc1ccc(cc1)C(=O)NNC(=O)COc1ccc2c(c1)c(C(=O)OC(C)C)c(o2)C

STK540602
Synonyms: N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1cc(C)nc2c1cccc2

STK840563
Synonyms: (2E)-2-(2-hydroxybenzylidene)-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)hydrazinecarboxamide
Smiles: O=C(NC12CC3CC(C2)CC(C1)C3)N/N=C/c1ccccc1O

STK540611
Synonyms: 3-bromo-N-(3,4-dimethoxybenzyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1cc(CNC(=O)c2coc(=O)c(c2)Br)ccc1OC

STK540612
Synonyms: 2,5-bis[(tert-butylamino)methyl]-1,6-bis(4-propoxyphenyl)hexane-1,6-dione
Smiles: CCCOc1ccc(cc1)C(=O)C(CNC(C)(C)C)CCC(C(=O)c1ccc(cc1)OCCC)CNC(C)(C)C

STK540617
Synonyms: 4-{[7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoicacid
Smiles: O=C(Nc1nn2c(n1)NC(=CC2c1ccc(cc1)Cl)C)CCC(=O)O

STK540618
Synonyms: 3,6-diamino-N-(1,3-benzodioxol-5-yl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccc2c(c1)OCO2

STK540620
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

STK540621
Synonyms: methyl3-[(5,6-dihydro-1,4-dioxin-2-ylcarbonyl)amino]-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1=COCCO1)cc(cc2)C

STK540624
Synonyms: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)OCCO2

STK540626
Synonyms: 5-amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C(C1c1cccc(c1)[N+](=O)[O-])(C#N)C#N)C#N)N

STK840571
Synonyms: 3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-ylthiophene-2-carboxylate
Smiles: O=C(c1cccs1)Oc1ccc2c(c1C)oc(c(c2=O)c1nc2c(s1)cccc2)C

STK840573
Synonyms: N-{[2-(furan-2-ylcarbonyl)hydrazinyl]carbonothioyl}pyridine-3-carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NNC(=O)c1ccco1

STK540630
Synonyms: 1-ethyl-6-fluoro-4-oxo-7-(4-pentanoylpiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK840577
Synonyms: 3-(ethoxycarbonyl)-2-(4-methoxyphenyl)-1-benzofuran-5-ylmorpholine-4-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)N1CCOCC1)c1ccc(cc1)OC

STK540635
Synonyms: 4-[(E)-(quinolin-6-ylimino)methyl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc2c(c1)cccn2

STK540636
Synonyms: N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: CCn1nc(c(c1C)/C=N/NC(=O)Cn1ncnc1)C

STK540643
Synonyms: N'-[(E)-(3-phenoxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Smiles: O=C(Cn1cncn1)N/N=C/c1cccc(c1)Oc1ccccc1

STK540646
Synonyms: 8-ethyl-2-(4-{[(4-fluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(cc1)F

STK840585
Synonyms: ethyl2-tert-butyl-5-(2-ethoxy-2-oxoethoxy)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(o2)C(C)(C)C

STK840586
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)N1CCCC1

STK840588
Synonyms: 7-(2,3-dihydroxypropyl)-8-hydrazinyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(NN)nc2c1c(=O)n(C)c(=O)n2C)O

STK840590
Synonyms: ethyl5-[(3-cyclopentylpropanoyl)oxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)CCC1CCCC1)c1ccc(cc1)OC

STK540661
Synonyms: ethyl(3,3-dimethylbut-1-yn-1-yl)(1-hydroxycyclohexyl)phosphinate
Smiles: CCOP(=O)(C1(O)CCCCC1)C#CC(C)(C)C

STK540662
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-cyclopropylquinoline-4-carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1cc(nc2c1cccc2)C1CC1)O

STK840594
Synonyms: 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: OC1CN(c2ccc(cc2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

STK540663
Synonyms: N-{4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(c2ccc(cc2)Br)C(=C(C1=O)O)C(=O)C

STK540664
Synonyms: 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c(C)[nH]c2c1cccc2

STK840600
Synonyms: ethyl6-bromo-2-methyl-5-{[4-(trifluoromethyl)benzyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OCc1ccc(cc1)C(F)(F)F)c(c2)Br

STK540669
Synonyms: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1Cl)Cl)O)c(=O)[nH]c(=O)n2C)CC

STK540680
Synonyms: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2)n2cnnn2)cc(c1O)Br

STK540682
Synonyms: 3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cccc(c1)c1ccc2c(n1)sc(c2N)C(=O)NC1CC1

STK540684
Synonyms: methyl5-chloro-3-[(thiophen-2-ylcarbonyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1cccs1)cc(cc2)Cl

STK540687
Synonyms: N'-[(E)-(3-phenoxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ccccn1)N/N=C/c1cccc(c1)Oc1ccccc1

STK840609
Synonyms: ethyl2-tert-butyl-5-{[(3-nitrophenyl)carbonyl]oxy}-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c2cc(ccc2oc1C(C)(C)C)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK540693
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cn[nH]c1c1ccccc1

STK540695
Synonyms: N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N'-methylethanediamide
Smiles: CNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2

STK540699
Synonyms: 2-(5-bromothiophen-2-yl)-4,5-diphenyl-1H-imidazole
Smiles: Brc1ccc(s1)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK840616
Synonyms: 8-(butylamino)-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCNc1nc2c(n1CC(C)C)c(=O)[nH]c(=O)n2C

STK840617
Synonyms: N-butyl-1-phenylcyclopentanecarboxamide
Smiles: CCCCNC(=O)C1(CCCC1)c1ccccc1

STK840619
Synonyms: 3-methyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK840621
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK540708
Synonyms: N'-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]-2-[4-(1H-tetrazol-1-yl)phenoxy]acetohydrazide
Smiles: COc1cc(OC)c(cc1/C=N/NC(=O)COc1ccc(cc1)n1cnnn1)Br

STK540711
Synonyms: 5-ethyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinolin-1-amine
Smiles: CCc1nc2[nH]nc(c2c2c1CCCC2)N

STK540713
Synonyms: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STK540715
Synonyms: 6-[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1ccc(c(c1C(=O)O)OC)OC

STK540722
Synonyms: 3-(8-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
Smiles: N#CCCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

STK540724
Synonyms: 2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(Cn1nnc(n1)N)N/N=C/c1cccnc1